# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3e7a0462-622c-48b8-9ebb-ea009c618e51/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 K2LiAlH6 / R-3m (166) / materials id 23774](https://mdr.nims.go.jp/datasets/0c8e468f-241e-4339-9042-1ee6796a1b30)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.778641913333336,     1.604249653333332,     9.027952573333325 ] # a  - [    -2.778641906666664,     1.604249653333332,     9.027952573333325 ] # b  - [    -0.000000006666664,    -3.208499306666668,     9.027952573333325 ] # c  points:  - symbol: H  # 1    coordinates: [  0.189767050000000,  0.189767050000000,  0.733085870000000 ]    mass: 1.007940  - symbol: H  # 2    coordinates: [  0.189767050000000,  0.733085870000000,  0.189767050000000 ]    mass: 1.007940  - symbol: H  # 3    coordinates: [  0.733085870000000,  0.189767050000000,  0.189767050000000 ]    mass: 1.007940  - symbol: H  # 4    coordinates: [  0.266914130000000,  0.810232940000001,  0.810232950000000 ]    mass: 1.007940  - symbol: H  # 5    coordinates: [  0.810232950000000,  0.810232940000001,  0.266914130000000 ]    mass: 1.007940  - symbol: H  # 6    coordinates: [  0.810232950000000,  0.266914120000001,  0.810232950000000 ]    mass: 1.007940  - symbol: H  # 7    coordinates: [  0.394217070000000,  0.394217070000001,  0.830609530000000 ]    mass: 1.007940  - symbol: H  # 8    coordinates: [  0.394217070000000,  0.830609530000001,  0.394217070000000 ]    mass: 1.007940  - symbol: H  # 9    coordinates: [  0.605782920000000,  0.169390480000000,  0.605782920000000 ]    mass: 1.007940  - symbol: H  # 10    coordinates: [  0.605782920000000,  0.605782930000000,  0.169390470000000 ]    mass: 1.007940  - symbol: H  # 11    coordinates: [  0.169390470000000,  0.605782930000000,  0.605782920000000 ]    mass: 1.007940  - symbol: H  # 12    coordinates: [  0.830609530000000,  0.394217070000001,  0.394217070000000 ]    mass: 1.007940  - symbol: Li # 13    coordinates: [  0.407751870000000,  0.407751880000000,  0.407751870000000 ]    mass: 6.941000  - symbol: Li # 14    coordinates: [  0.592248120000000,  0.592248130000001,  0.592248120000000 ]    mass: 6.941000  - symbol: Al # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 16    coordinates: [  0.500000000000000,  0.500000010000000,  0.500000000000000 ]    mass: 26.981539  - symbol: K  # 17    coordinates: [  0.126921420000000,  0.126921420000000,  0.126921420000000 ]    mass: 39.098300  - symbol: K  # 18    coordinates: [  0.873078590000000,  0.873078580000000,  0.873078590000000 ]    mass: 39.098300  - symbol: K  # 19    coordinates: [  0.286760830000000,  0.286760830000001,  0.286760830000000 ]    mass: 39.098300  - symbol: K  # 20    coordinates: [  0.713239180000000,  0.713239170000000,  0.713239180000000 ]    mass: 39.098300  reciprocal_lattice: # without 2pi  - [     0.179944021646172,     0.103890729052396,     0.036922362033439 ] # a*  - [    -0.179944021646172,     0.103890729800176,     0.036922362033439 ] # b*  - [     0.000000000000000,    -0.207781458852572,     0.036922362033439 ] # c*unit_cell:  lattice:  - [     5.557283820000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.778641900000000,     4.812748960000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    27.083857720000001 ] # c  points:  - symbol: H  # 1    coordinates: [  0.152227060000000,  0.304454120000000,  0.037539990000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 2    coordinates: [  0.152227060000000,  0.847772940000000,  0.037539990000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 3    coordinates: [  0.695545880000000,  0.847772940000000,  0.037539990000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 4    coordinates: [  0.971120790000000,  0.485560390000000,  0.295793340000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 5    coordinates: [  0.514439610000000,  0.028879210000000,  0.295793340000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 6    coordinates: [  0.514439610000000,  0.485560390000000,  0.295793340000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 7    coordinates: [  0.187869180000000,  0.375738360000000,  0.206347890000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.187869180000000,  0.812130820000000,  0.206347890000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 9    coordinates: [  0.478797480000000,  0.521202520000000,  0.126985440000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 10    coordinates: [  0.478797480000000,  0.957594970000000,  0.126985440000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 11    coordinates: [  0.042405030000000,  0.521202520000000,  0.126985440000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 12    coordinates: [  0.624261640000000,  0.812130820000000,  0.206347890000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 13    coordinates: [  0.818893730000000,  0.637787450000000,  0.370873330000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 14    coordinates: [  0.818893730000000,  0.181106270000000,  0.370873330000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 15    coordinates: [  0.362212550000000,  0.181106270000000,  0.370873330000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 16    coordinates: [  0.637787450000000,  0.818893730000000,  0.629126670000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 17    coordinates: [  0.181106270000000,  0.362212550000000,  0.629126670000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 18    coordinates: [  0.181106270000000,  0.818893730000000,  0.629126670000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 19    coordinates: [  0.854535850000000,  0.709071700000000,  0.539681230000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 20    coordinates: [  0.854535850000000,  0.145464150000000,  0.539681230000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 21    coordinates: [  0.145464150000000,  0.854535850000000,  0.460318770000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 22    coordinates: [  0.145464150000000,  0.290928300000000,  0.460318770000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 23    coordinates: [  0.709071700000000,  0.854535850000000,  0.460318770000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 24    coordinates: [  0.290928300000000,  0.145464150000000,  0.539681230000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 25    coordinates: [  0.485560390000000,  0.971120790000000,  0.704206660000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 26    coordinates: [  0.485560390000000,  0.514439610000000,  0.704206660000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 27    coordinates: [  0.028879210000000,  0.514439610000000,  0.704206660000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 28    coordinates: [  0.304454120000000,  0.152227060000000,  0.962460010000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 29    coordinates: [  0.847772940000000,  0.695545880000000,  0.962460010000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 30    coordinates: [  0.847772940000000,  0.152227060000000,  0.962460010000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 31    coordinates: [  0.521202520000000,  0.042405030000000,  0.873014560000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 32    coordinates: [  0.521202520000000,  0.478797480000000,  0.873014560000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 33    coordinates: [  0.812130820000000,  0.187869180000000,  0.793652110000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 34    coordinates: [  0.812130820000000,  0.624261640000000,  0.793652110000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 35    coordinates: [  0.375738360000000,  0.187869180000000,  0.793652110000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 36    coordinates: [  0.957594970000000,  0.478797480000000,  0.873014560000000 ]    mass: 1.007940    reduced_to: 12  - symbol: Li # 37    coordinates: [  0.333333330000000,  0.666666670000000,  0.074418540000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 38    coordinates: [  0.333333330000000,  0.666666670000000,  0.258914790000000 ]    mass: 6.941000    reduced_to: 38  - symbol: Li # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.407751870000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.592248130000000 ]    mass: 6.941000    reduced_to: 38  - symbol: Li # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.741085210000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 42    coordinates: [  0.666666670000000,  0.333333330000000,  0.925581460000000 ]    mass: 6.941000    reduced_to: 38  - symbol: Al # 43    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 44    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 26.981539    reduced_to: 44  - symbol: Al # 45    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 44  - symbol: Al # 47    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 48    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 26.981539    reduced_to: 44  - symbol: K  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.126921420000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.666666670000000,  0.333333330000000,  0.206411920000000 ]    mass: 39.098300    reduced_to: 50  - symbol: K  # 51    coordinates: [  0.000000000000000,  0.000000000000000,  0.286760830000000 ]    mass: 39.098300    reduced_to: 51  - symbol: K  # 52    coordinates: [  0.666666670000000,  0.333333330000000,  0.046572510000000 ]    mass: 39.098300    reduced_to: 52  - symbol: K  # 53    coordinates: [  0.666666670000000,  0.333333330000000,  0.460254750000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 54    coordinates: [  0.333333330000000,  0.666666670000000,  0.539745250000000 ]    mass: 39.098300    reduced_to: 50  - symbol: K  # 55    coordinates: [  0.666666670000000,  0.333333330000000,  0.620094160000000 ]    mass: 39.098300    reduced_to: 51  - symbol: K  # 56    coordinates: [  0.333333330000000,  0.666666670000000,  0.379905840000000 ]    mass: 39.098300    reduced_to: 52  - symbol: K  # 57    coordinates: [  0.333333330000000,  0.666666670000000,  0.793588080000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 58    coordinates: [  0.000000000000000,  0.000000000000000,  0.873078580000000 ]    mass: 39.098300    reduced_to: 50  - symbol: K  # 59    coordinates: [  0.333333330000000,  0.666666670000000,  0.953427490000000 ]    mass: 39.098300    reduced_to: 51  - symbol: K  # 60    coordinates: [  0.000000000000000,  0.000000000000000,  0.713239170000000 ]    mass: 39.098300    reduced_to: 52supercell:  lattice:  - [     5.557283820000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.778641900000000,     4.812748960000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    27.083857720000001 ] # c  points:  - symbol: H  # 1    coordinates: [  0.152227060000000,  0.304454120000000,  0.037539990000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 2    coordinates: [  0.152227060000000,  0.847772940000000,  0.037539990000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 3    coordinates: [  0.695545880000000,  0.847772940000000,  0.037539990000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 4    coordinates: [  0.971120790000000,  0.485560390000000,  0.295793340000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 5    coordinates: [  0.514439610000000,  0.028879210000000,  0.295793340000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 6    coordinates: [  0.514439610000000,  0.485560390000000,  0.295793340000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 7    coordinates: [  0.187869180000000,  0.375738360000000,  0.206347890000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.187869180000000,  0.812130820000000,  0.206347890000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 9    coordinates: [  0.478797480000000,  0.521202520000000,  0.126985440000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 10    coordinates: [  0.478797480000000,  0.957594970000000,  0.126985440000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 11    coordinates: [  0.042405030000000,  0.521202520000000,  0.126985440000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 12    coordinates: [  0.624261640000000,  0.812130820000000,  0.206347890000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 13    coordinates: [  0.818893730000000,  0.637787450000000,  0.370873330000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 14    coordinates: [  0.818893730000000,  0.181106270000000,  0.370873330000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 15    coordinates: [  0.362212550000000,  0.181106270000000,  0.370873330000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 16    coordinates: [  0.637787450000000,  0.818893730000000,  0.629126670000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 17    coordinates: [  0.181106270000000,  0.362212550000000,  0.629126670000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 18    coordinates: [  0.181106270000000,  0.818893730000000,  0.629126670000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 19    coordinates: [  0.854535850000000,  0.709071700000000,  0.539681230000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 20    coordinates: [  0.854535850000000,  0.145464150000000,  0.539681230000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 21    coordinates: [  0.145464150000000,  0.854535850000000,  0.460318770000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 22    coordinates: [  0.145464150000000,  0.290928300000000,  0.460318770000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 23    coordinates: [  0.709071700000000,  0.854535850000000,  0.460318770000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 24    coordinates: [  0.290928300000000,  0.145464150000000,  0.539681230000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 25    coordinates: [  0.485560390000000,  0.971120790000000,  0.704206660000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 26    coordinates: [  0.485560390000000,  0.514439610000000,  0.704206660000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 27    coordinates: [  0.028879210000000,  0.514439610000000,  0.704206660000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 28    coordinates: [  0.304454120000000,  0.152227060000000,  0.962460010000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 29    coordinates: [  0.847772940000000,  0.695545880000000,  0.962460010000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 30    coordinates: [  0.847772940000000,  0.152227060000000,  0.962460010000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 31    coordinates: [  0.521202520000000,  0.042405030000000,  0.873014560000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 32    coordinates: [  0.521202520000000,  0.478797480000000,  0.873014560000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 33    coordinates: [  0.812130820000000,  0.187869180000000,  0.793652110000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 34    coordinates: [  0.812130820000000,  0.624261640000000,  0.793652110000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 35    coordinates: [  0.375738360000000,  0.187869180000000,  0.793652110000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 36    coordinates: [  0.957594970000000,  0.478797480000000,  0.873014560000000 ]    mass: 1.007940    reduced_to: 12  - symbol: Li # 37    coordinates: [  0.333333330000000,  0.666666670000000,  0.074418540000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 38    coordinates: [  0.333333330000000,  0.666666670000000,  0.258914790000000 ]    mass: 6.941000    reduced_to: 38  - symbol: Li # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.407751870000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.592248130000000 ]    mass: 6.941000    reduced_to: 38  - symbol: Li # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.741085210000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 42    coordinates: [  0.666666670000000,  0.333333330000000,  0.925581460000000 ]    mass: 6.941000    reduced_to: 38  - symbol: Al # 43    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 44    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 26.981539    reduced_to: 44  - symbol: Al # 45    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 44  - symbol: Al # 47    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 26.981539    reduced_to: 43  - symbol: Al # 48    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 26.981539    reduced_to: 44  - symbol: K  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.126921420000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.666666670000000,  0.333333330000000,  0.206411920000000 ]    mass: 39.098300    reduced_to: 50  - symbol: K  # 51    coordinates: [  0.000000000000000,  0.000000000000000,  0.286760830000000 ]    mass: 39.098300    reduced_to: 51  - symbol: K  # 52    coordinates: [  0.666666670000000,  0.333333330000000,  0.046572510000000 ]    mass: 39.098300    reduced_to: 52  - symbol: K  # 53    coordinates: [  0.666666670000000,  0.333333330000000,  0.460254750000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 54    coordinates: [  0.333333330000000,  0.666666670000000,  0.539745250000000 ]    mass: 39.098300    reduced_to: 50  - symbol: K  # 55    coordinates: [  0.666666670000000,  0.333333330000000,  0.620094160000000 ]    mass: 39.098300    reduced_to: 51  - symbol: K  # 56    coordinates: [  0.333333330000000,  0.666666670000000,  0.379905840000000 ]    mass: 39.098300    reduced_to: 52  - symbol: K  # 57    coordinates: [  0.333333330000000,  0.666666670000000,  0.793588080000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 58    coordinates: [  0.000000000000000,  0.000000000000000,  0.873078580000000 ]    mass: 39.098300    reduced_to: 50  - symbol: K  # 59    coordinates: [  0.333333330000000,  0.666666670000000,  0.953427490000000 ]    mass: 39.098300    reduced_to: 51  - symbol: K  # 60    coordinates: [  0.000000000000000,  0.000000000000000,  0.713239170000000 ]    mass: 39.098300    reduced_to: 52displacements:- atom:    1  displacement:    [  -0.0049999999897458,  0.0086602540437647,  0.0000000000000000 ]  forces:  - [   0.0100788700000000, -0.0381518100000000, -0.0164023100000000 ]  - [  -0.0056761800000000,  0.0089727900000000, -0.0006540400000000 ]  - [   0.0035159200000000,  0.0045601500000000, -0.0010327900000000 ]  - [  -0.0000369900000000, -0.0000159600000000,  0.0001347900000000 ]  - [  -0.0000001500000000,  0.0000231000000000,  0.0001112000000000 ]  - [   0.0000323800000000, -0.0000090700000000,  0.0001275000000000 ]  - [   0.0000620300000000, -0.0001172000000000,  0.0003897700000000 ]  - [  -0.0000027400000000,  0.0000650600000000,  0.0000524900000000 ]  - [   0.0001168200000000,  0.0001990700000000,  0.0002521200000000 ]  - [   0.0000493400000000,  0.0007128700000000,  0.0001310800000000 ]  - [  -0.0001184100000000,  0.0006214500000000,  0.0009515400000000 ]  - [   0.0000715700000000,  0.0000208900000000, -0.0000210500000000 ]  - [  -0.0000003700000000,  0.0000337300000000,  0.0001274000000000 ]  - [   0.0000279500000000, -0.0000196300000000,  0.0001231400000000 ]  - [  -0.0000290900000000, -0.0000187100000000,  0.0001224600000000 ]  - [  -0.0000307100000000, -0.0000178700000000,  0.0001249400000000 ]  - [   0.0000001400000000,  0.0000355100000000,  0.0001248100000000 ]  - [   0.0000310200000000, -0.0000177200000000,  0.0001244100000000 ]  - [  -0.0000001300000000, -0.0000161300000000,  0.0001337000000000 ]  - [  -0.0000142900000000,  0.0000083400000000,  0.0001332900000000 ]  - [  -0.0000130600000000,  0.0000078200000000,  0.0001355300000000 ]  - [   0.0000000100000000, -0.0000150600000000,  0.0001348000000000 ]  - [   0.0000132800000000,  0.0000079200000000,  0.0001351700000000 ]  - [   0.0000138600000000,  0.0000082200000000,  0.0001336100000000 ]  - [  -0.0000003400000000,  0.0000341400000000,  0.0001252000000000 ]  - [   0.0000309700000000, -0.0000183200000000,  0.0001273100000000 ]  - [  -0.0000294500000000, -0.0000159300000000,  0.0001247700000000 ]  - [  -0.0023524300000000,  0.0006296200000000,  0.0030352600000000 ]  - [   0.0006640100000000,  0.0003925500000000,  0.0007946300000000 ]  - [   0.0006518300000000, -0.0013580000000000, -0.0005216600000000 ]  - [  -0.0001034800000000,  0.0000911500000000,  0.0000694400000000 ]  - [  -0.0000334600000000, -0.0000355400000000,  0.0002492700000000 ]  - [  -0.0000052600000000,  0.0000118700000000,  0.0001058200000000 ]  - [  -0.0000110200000000,  0.0000064600000000,  0.0001379600000000 ]  - [   0.0000105600000000,  0.0000233300000000,  0.0001559500000000 ]  - [  -0.0000885600000000, -0.0000449700000000,  0.0001079600000000 ]  - [  -0.0004547700000000,  0.0009816900000000,  0.0017668000000000 ]  - [  -0.0000035300000000, -0.0000465100000000, -0.0001403400000000 ]  - [   0.0000001800000000, -0.0000019200000000, -0.0001738100000000 ]  - [  -0.0000003900000000,  0.0000004500000000, -0.0001699700000000 ]  - [   0.0000035500000000, -0.0000007000000000, -0.0001721400000000 ]  - [   0.0005803500000000,  0.0002823500000000, -0.0002709800000000 ]  - [  -0.0049374500000000,  0.0195959900000000,  0.0099842300000000 ]  - [  -0.0004608000000000, -0.0002897100000000, -0.0006135200000000 ]  - [   0.0000045800000000,  0.0000196400000000, -0.0003015500000000 ]  - [   0.0000000300000000, -0.0000004000000000, -0.0003128400000000 ]  - [  -0.0000021000000000,  0.0000003400000000, -0.0003053500000000 ]  - [   0.0000656400000000, -0.0000907500000000, -0.0002643000000000 ]  - [  -0.0003667600000000,  0.0011642300000000,  0.0006694700000000 ]  - [   0.0000412100000000,  0.0000547500000000, -0.0001594700000000 ]  - [   0.0000054500000000,  0.0000161100000000, -0.0001369300000000 ]  - [  -0.0008468500000000,  0.0017207700000000,  0.0011312300000000 ]  - [  -0.0000002500000000,  0.0000004800000000, -0.0001495800000000 ]  - [   0.0000002400000000,  0.0000000400000000, -0.0001521500000000 ]  - [   0.0000000100000000,  0.0000001300000000, -0.0001448500000000 ]  - [   0.0000001700000000, -0.0000008800000000, -0.0001480900000000 ]  - [  -0.0000109700000000,  0.0000081800000000, -0.0001381500000000 ]  - [  -0.0001667800000000, -0.0000216500000000, -0.0002828100000000 ]  - [  -0.0002729000000000,  0.0000111100000000,  0.0005279100000000 ]  - [  -0.0000022600000000,  0.0000021200000000, -0.0001482800000000 ]- atom:    1  displacement:    [   0.0049999999897458, -0.0086602540437647,  0.0000000000000000 ]  forces:  - [  -0.0100033200000000,  0.0388007000000000,  0.0169508300000000 ]  - [   0.0057174300000000, -0.0090399600000000,  0.0006541800000000 ]  - [  -0.0035095400000000, -0.0045389400000000,  0.0010354300000000 ]  - [   0.0000321600000000,  0.0000134800000000, -0.0001343600000000 ]  - [  -0.0000000800000000, -0.0000179600000000, -0.0001109000000000 ]  - [  -0.0000277600000000,  0.0000064600000000, -0.0001271800000000 ]  - [  -0.0000606500000000,  0.0001225000000000, -0.0003949000000000 ]  - [   0.0000068000000000, -0.0000662700000000, -0.0000558700000000 ]  - [  -0.0001200200000000, -0.0002020300000000, -0.0002517700000000 ]  - [  -0.0000476000000000, -0.0007166800000000, -0.0001197300000000 ]  - [   0.0001258100000000, -0.0006189700000000, -0.0009327000000000 ]  - [  -0.0000751900000000, -0.0000237500000000,  0.0000156000000000 ]  - [   0.0000002900000000, -0.0000395400000000, -0.0001280900000000 ]  - [  -0.0000334900000000,  0.0000227800000000, -0.0001238600000000 ]  - [   0.0000343200000000,  0.0000217700000000, -0.0001233400000000 ]  - [   0.0000251600000000,  0.0000149100000000, -0.0001224900000000 ]  - [  -0.0000003400000000, -0.0000291300000000, -0.0001222500000000 ]  - [  -0.0000254500000000,  0.0000145400000000, -0.0001217300000000 ]  - [   0.0000000200000000,  0.0000219000000000, -0.0001405000000000 ]  - [   0.0000185700000000, -0.0000109000000000, -0.0001403800000000 ]  - [   0.0000084000000000, -0.0000052200000000, -0.0001261100000000 ]  - [   0.0000000100000000,  0.0000093800000000, -0.0001261500000000 ]  - [  -0.0000082000000000, -0.0000050300000000, -0.0001263800000000 ]  - [  -0.0000188100000000, -0.0000110800000000, -0.0001401600000000 ]  - [   0.0000003700000000, -0.0000389700000000, -0.0001239700000000 ]  - [  -0.0000355200000000,  0.0000209500000000, -0.0001261100000000 ]  - [   0.0000337600000000,  0.0000183400000000, -0.0001235500000000 ]  - [   0.0023453100000000, -0.0006103700000000, -0.0030384300000000 ]  - [  -0.0006711100000000, -0.0003721500000000, -0.0007971800000000 ]  - [  -0.0006232500000000,  0.0013732500000000,  0.0005572800000000 ]  - [   0.0001040900000000, -0.0000847900000000, -0.0000760700000000 ]  - [   0.0000391200000000,  0.0000319000000000, -0.0002572800000000 ]  - [   0.0000011700000000, -0.0000093100000000, -0.0000990100000000 ]  - [   0.0000110300000000, -0.0000116300000000, -0.0001314100000000 ]  - [  -0.0000058800000000, -0.0000205700000000, -0.0001500300000000 ]  - [   0.0000837100000000,  0.0000417000000000, -0.0001140800000000 ]  - [   0.0004548800000000, -0.0007926100000000, -0.0016550100000000 ]  - [   0.0000024700000000,  0.0000477100000000,  0.0001461700000000 ]  - [   0.0000009300000000,  0.0000010200000000,  0.0001659200000000 ]  - [  -0.0000009200000000,  0.0000005600000000,  0.0001748100000000 ]  - [  -0.0000026400000000, -0.0000002600000000,  0.0001631300000000 ]  - [  -0.0005859700000000, -0.0002770700000000,  0.0002737900000000 ]  - [   0.0048365900000000, -0.0204667600000000, -0.0106875100000000 ]  - [   0.0004506300000000,  0.0002894200000000,  0.0006032400000000 ]  - [  -0.0000048500000000, -0.0000194700000000,  0.0003041600000000 ]  - [  -0.0000000800000000,  0.0000001800000000,  0.0003104300000000 ]  - [   0.0000022200000000, -0.0000005600000000,  0.0002986700000000 ]  - [  -0.0000670400000000,  0.0000912600000000,  0.0002681500000000 ]  - [   0.0003658100000000, -0.0011739100000000, -0.0006587800000000 ]  - [  -0.0000400400000000, -0.0000546700000000,  0.0001563400000000 ]  - [  -0.0000062100000000, -0.0000162200000000,  0.0001409700000000 ]  - [   0.0008200400000000, -0.0017158000000000, -0.0011251900000000 ]  - [  -0.0000001500000000,  0.0000001600000000,  0.0001502200000000 ]  - [  -0.0000000800000000, -0.0000003700000000,  0.0001485700000000 ]  - [  -0.0000003300000000, -0.0000001800000000,  0.0001481000000000 ]  - [   0.0000004200000000,  0.0000011100000000,  0.0001420900000000 ]  - [   0.0000112700000000, -0.0000085800000000,  0.0001398300000000 ]  - [   0.0001682000000000,  0.0000215600000000,  0.0002813800000000 ]  - [   0.0002709800000000,  0.0000134100000000, -0.0005380500000000 ]  - [   0.0000025000000000, -0.0000012600000000,  0.0001412400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0189922600000000, -0.0343909100000000 ]  - [  -0.0010420300000000,  0.0001760800000000, -0.0032348700000000 ]  - [   0.0010420300000000,  0.0001760800000000, -0.0032348700000000 ]  - [  -0.0001359700000000, -0.0000701200000000,  0.0005231000000000 ]  - [   0.0000000000000000,  0.0001296300000000,  0.0005001000000000 ]  - [   0.0001359700000000, -0.0000701200000000,  0.0005231000000000 ]  - [   0.0000000000000000, -0.0001380900000000,  0.0008881700000000 ]  - [   0.0000928600000000,  0.0000226500000000,  0.0003697200000000 ]  - [   0.0001336400000000,  0.0007470200000000,  0.0009001900000000 ]  - [   0.0000000000000000,  0.0008998000000000, -0.0002588300000000 ]  - [  -0.0001336400000000,  0.0007470200000000,  0.0009001900000000 ]  - [  -0.0000928600000000,  0.0000226500000000,  0.0003697200000000 ]  - [   0.0000000000000000,  0.0001422900000000,  0.0005174800000000 ]  - [   0.0001227500000000, -0.0000738900000000,  0.0005104900000000 ]  - [  -0.0001227500000000, -0.0000738900000000,  0.0005104900000000 ]  - [  -0.0001255400000000, -0.0000717200000000,  0.0005143800000000 ]  - [   0.0000000000000000,  0.0001447100000000,  0.0005134800000000 ]  - [   0.0001255400000000, -0.0000717200000000,  0.0005143800000000 ]  - [   0.0000000000000000, -0.0000649200000000,  0.0005526600000000 ]  - [  -0.0000561400000000,  0.0000323900000000,  0.0005523700000000 ]  - [  -0.0000560700000000,  0.0000327200000000,  0.0005543400000000 ]  - [   0.0000000000000000, -0.0000646300000000,  0.0005539400000000 ]  - [   0.0000560700000000,  0.0000327200000000,  0.0005543400000000 ]  - [   0.0000561400000000,  0.0000323900000000,  0.0005523700000000 ]  - [   0.0000000000000000,  0.0001461900000000,  0.0005181100000000 ]  - [   0.0001215300000000, -0.0000710200000000,  0.0005111700000000 ]  - [  -0.0001215300000000, -0.0000710200000000,  0.0005111700000000 ]  - [  -0.0030203400000000,  0.0023663800000000,  0.0036524600000000 ]  - [   0.0000000000000000,  0.0009213100000000, -0.0019418000000000 ]  - [   0.0030203400000000,  0.0023663800000000,  0.0036524600000000 ]  - [   0.0000000000000000, -0.0002427600000000,  0.0008312900000000 ]  - [  -0.0000045400000000, -0.0001478300000000,  0.0004111400000000 ]  - [  -0.0000869800000000,  0.0000166200000000,  0.0005656000000000 ]  - [   0.0000000000000000, -0.0000238800000000,  0.0005106900000000 ]  - [   0.0000869800000000,  0.0000166200000000,  0.0005656000000000 ]  - [   0.0000045400000000, -0.0001478300000000,  0.0004111400000000 ]  - [   0.0000000000000000, -0.0001650000000000,  0.0040208600000000 ]  - [   0.0000000000000000, -0.0000385700000000, -0.0007036400000000 ]  - [   0.0000000000000000, -0.0000025900000000, -0.0007076200000000 ]  - [   0.0000000000000000,  0.0000009000000000, -0.0007079300000000 ]  - [   0.0000000000000000, -0.0000001200000000, -0.0007089300000000 ]  - [   0.0000000000000000,  0.0012056300000000, -0.0004468800000000 ]  - [   0.0000000000000000,  0.0095994100000000,  0.0226422300000000 ]  - [   0.0000000000000000, -0.0005041900000000, -0.0009029800000000 ]  - [   0.0000000000000000,  0.0000225700000000, -0.0012452600000000 ]  - [   0.0000000000000000,  0.0000000100000000, -0.0012884100000000 ]  - [   0.0000000000000000, -0.0000051200000000, -0.0012481000000000 ]  - [   0.0000000000000000,  0.0002329100000000, -0.0012895600000000 ]  - [   0.0000000000000000,  0.0001312500000000,  0.0013355100000000 ]  - [   0.0000000000000000,  0.0001097500000000, -0.0005952800000000 ]  - [   0.0000000000000000,  0.0000243400000000, -0.0006140600000000 ]  - [   0.0000000000000000,  0.0003035500000000,  0.0041501300000000 ]  - [   0.0000000000000000,  0.0000005000000000, -0.0006211100000000 ]  - [   0.0000000000000000, -0.0000001900000000, -0.0006219200000000 ]  - [   0.0000000000000000,  0.0000007300000000, -0.0006025300000000 ]  - [   0.0000000000000000, -0.0000012400000000, -0.0006023800000000 ]  - [   0.0000000000000000, -0.0000365600000000, -0.0006298300000000 ]  - [   0.0000000000000000, -0.0000902000000000, -0.0004400900000000 ]  - [   0.0000000000000000,  0.0004375700000000,  0.0019764500000000 ]  - [   0.0000000000000000, -0.0000013100000000, -0.0006032400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0195156800000000,  0.0346172600000000 ]  - [   0.0010279300000000, -0.0001409400000000,  0.0032296400000000 ]  - [  -0.0010279300000000, -0.0001409400000000,  0.0032296400000000 ]  - [   0.0001348400000000,  0.0000696700000000, -0.0005230600000000 ]  - [   0.0000000000000000, -0.0001288800000000, -0.0005001700000000 ]  - [  -0.0001348400000000,  0.0000696700000000, -0.0005230600000000 ]  - [   0.0000000000000000,  0.0001354300000000, -0.0008843300000000 ]  - [  -0.0000921300000000, -0.0000222300000000, -0.0003702800000000 ]  - [  -0.0001320800000000, -0.0007408200000000, -0.0008965000000000 ]  - [   0.0000000000000000, -0.0008917700000000,  0.0002518600000000 ]  - [   0.0001320800000000, -0.0007408200000000, -0.0008965000000000 ]  - [   0.0000921300000000, -0.0000222300000000, -0.0003702800000000 ]  - [   0.0000000000000000, -0.0001435200000000, -0.0005176300000000 ]  - [  -0.0001239600000000,  0.0000745400000000, -0.0005107300000000 ]  - [   0.0001239600000000,  0.0000745400000000, -0.0005107300000000 ]  - [   0.0001238700000000,  0.0000708400000000, -0.0005125900000000 ]  - [   0.0000000000000000, -0.0001428900000000, -0.0005117700000000 ]  - [  -0.0001238700000000,  0.0000708400000000, -0.0005125900000000 ]  - [   0.0000000000000000,  0.0000641900000000, -0.0005530900000000 ]  - [   0.0000552900000000, -0.0000318400000000, -0.0005530900000000 ]  - [   0.0000567500000000, -0.0000330700000000, -0.0005517800000000 ]  - [   0.0000000000000000,  0.0000650800000000, -0.0005516900000000 ]  - [  -0.0000567500000000, -0.0000330700000000, -0.0005517800000000 ]  - [  -0.0000552900000000, -0.0000318400000000, -0.0005530900000000 ]  - [   0.0000000000000000, -0.0001466900000000, -0.0005168400000000 ]  - [  -0.0001222600000000,  0.0000713400000000, -0.0005098500000000 ]  - [   0.0001222600000000,  0.0000713400000000, -0.0005098500000000 ]  - [   0.0030554200000000, -0.0023853300000000, -0.0036870500000000 ]  - [   0.0000000000000000, -0.0009186700000000,  0.0019564800000000 ]  - [  -0.0030554200000000, -0.0023853300000000, -0.0036870500000000 ]  - [   0.0000000000000000,  0.0002433100000000, -0.0008329400000000 ]  - [   0.0000033500000000,  0.0001495200000000, -0.0004099000000000 ]  - [   0.0000882400000000, -0.0000170600000000, -0.0005653300000000 ]  - [   0.0000000000000000,  0.0000244700000000, -0.0005102400000000 ]  - [  -0.0000882400000000, -0.0000170600000000, -0.0005653300000000 ]  - [  -0.0000033500000000,  0.0001495200000000, -0.0004099000000000 ]  - [   0.0000000000000000,  0.0002281600000000, -0.0039757200000000 ]  - [   0.0000000000000000,  0.0000394300000000,  0.0007058200000000 ]  - [   0.0000000000000000,  0.0000016400000000,  0.0007048800000000 ]  - [   0.0000000000000000,  0.0000000100000000,  0.0007086400000000 ]  - [   0.0000000000000000, -0.0000005700000000,  0.0007046000000000 ]  - [   0.0000000000000000, -0.0012133200000000,  0.0004427200000000 ]  - [   0.0000000000000000, -0.0102222400000000, -0.0228894700000000 ]  - [   0.0000000000000000,  0.0005037600000000,  0.0009066100000000 ]  - [   0.0000000000000000, -0.0000221500000000,  0.0012477700000000 ]  - [   0.0000000000000000, -0.0000002100000000,  0.0012865300000000 ]  - [   0.0000000000000000,  0.0000048500000000,  0.0012423500000000 ]  - [   0.0000000000000000, -0.0002339300000000,  0.0012920000000000 ]  - [   0.0000000000000000, -0.0001782400000000, -0.0012387500000000 ]  - [   0.0000000000000000, -0.0001082600000000,  0.0005917400000000 ]  - [   0.0000000000000000, -0.0000243800000000,  0.0006148900000000 ]  - [   0.0000000000000000, -0.0003003100000000, -0.0041452400000000 ]  - [   0.0000000000000000,  0.0000000300000000,  0.0006217800000000 ]  - [   0.0000000000000000, -0.0000004700000000,  0.0006191700000000 ]  - [   0.0000000000000000, -0.0000007200000000,  0.0006032200000000 ]  - [   0.0000000000000000,  0.0000012600000000,  0.0005993100000000 ]  - [   0.0000000000000000,  0.0000370800000000,  0.0006313700000000 ]  - [   0.0000000000000000,  0.0000899900000000,  0.0004314800000000 ]  - [   0.0000000000000000, -0.0004080100000000, -0.0020316300000000 ]  - [   0.0000000000000000,  0.0000015900000000,  0.0006000500000000 ]- atom:    7  displacement:    [  -0.0049999999897458,  0.0086602540437647,  0.0000000000000000 ]  forces:  - [   0.0000614800000000, -0.0001151900000000, -0.0001159500000000 ]  - [  -0.0000529900000000,  0.0000344500000000,  0.0000272800000000 ]  - [   0.0000704900000000, -0.0000387700000000,  0.0000926100000000 ]  - [  -0.0001155700000000, -0.0000643400000000,  0.0001277700000000 ]  - [   0.0000494900000000,  0.0007121900000000,  0.0007761600000000 ]  - [  -0.0004792500000000, -0.0001412000000000, -0.0005788000000000 ]  - [   0.0104406200000000, -0.0424621800000000,  0.0147777900000000 ]  - [  -0.0046185400000000,  0.0097658900000000,  0.0003792100000000 ]  - [   0.0004117600000000, -0.0014871900000000,  0.0009211500000000 ]  - [   0.0008689000000000,  0.0002350500000000, -0.0013712100000000 ]  - [  -0.0012530100000000,  0.0002351900000000, -0.0021254400000000 ]  - [   0.0025279200000000,  0.0038206300000000,  0.0007014200000000 ]  - [  -0.0001033600000000,  0.0000895600000000, -0.0002107800000000 ]  - [   0.0000823800000000,  0.0000334200000000,  0.0001264100000000 ]  - [  -0.0000883500000000,  0.0000903900000000, -0.0000036400000000 ]  - [   0.0000127400000000,  0.0000073400000000, -0.0000553500000000 ]  - [  -0.0000000200000000, -0.0000143700000000, -0.0000550300000000 ]  - [  -0.0000126800000000,  0.0000073200000000, -0.0000555200000000 ]  - [   0.0000008900000000,  0.0000079100000000, -0.0000634800000000 ]  - [   0.0000035400000000, -0.0000024300000000, -0.0000585800000000 ]  - [   0.0000117600000000, -0.0000164400000000, -0.0000707500000000 ]  - [   0.0000037700000000, -0.0000022200000000, -0.0000473100000000 ]  - [  -0.0000013000000000, -0.0000126700000000, -0.0000548100000000 ]  - [  -0.0000043700000000, -0.0000044900000000, -0.0000608200000000 ]  - [   0.0000000400000000, -0.0000160600000000, -0.0000549700000000 ]  - [  -0.0000139900000000,  0.0000081600000000, -0.0000547800000000 ]  - [   0.0000139000000000,  0.0000079900000000, -0.0000548000000000 ]  - [   0.0000106800000000,  0.0000006200000000, -0.0000876000000000 ]  - [  -0.0000110500000000,  0.0000059400000000, -0.0000213000000000 ]  - [  -0.0000255300000000,  0.0000007100000000, -0.0000583600000000 ]  - [   0.0000009100000000,  0.0000075000000000, -0.0000615700000000 ]  - [   0.0000056100000000, -0.0000008600000000, -0.0000610400000000 ]  - [   0.0000072800000000, -0.0000041800000000, -0.0000600800000000 ]  - [   0.0000003100000000,  0.0000071600000000, -0.0000595500000000 ]  - [  -0.0000069100000000, -0.0000040000000000, -0.0000605400000000 ]  - [  -0.0000041200000000, -0.0000015900000000, -0.0000594700000000 ]  - [  -0.0004904700000000,  0.0000653700000000,  0.0003697700000000 ]  - [  -0.0014588700000000,  0.0035795800000000, -0.0018548800000000 ]  - [  -0.0000265200000000,  0.0000806900000000,  0.0001201100000000 ]  - [  -0.0000007200000000,  0.0000005200000000,  0.0000776300000000 ]  - [   0.0000005200000000, -0.0000004100000000,  0.0000751100000000 ]  - [  -0.0000085200000000, -0.0000094700000000,  0.0000850800000000 ]  - [   0.0000973200000000,  0.0000898800000000,  0.0000795100000000 ]  - [  -0.0052783700000000,  0.0246719300000000, -0.0112416600000000 ]  - [   0.0004945700000000, -0.0008467500000000, -0.0001202400000000 ]  - [  -0.0000079600000000,  0.0000090700000000,  0.0001380000000000 ]  - [   0.0000002700000000, -0.0000004300000000,  0.0001328700000000 ]  - [  -0.0000010200000000, -0.0000003900000000,  0.0001415500000000 ]  - [  -0.0002069400000000,  0.0002431200000000,  0.0002698800000000 ]  - [  -0.0009254500000000,  0.0011867300000000, -0.0004628300000000 ]  - [  -0.0000921600000000,  0.0002508000000000, -0.0007215300000000 ]  - [   0.0001572800000000, -0.0000351700000000,  0.0000998300000000 ]  - [   0.0000030900000000, -0.0000122100000000,  0.0000793000000000 ]  - [   0.0000010200000000, -0.0000018800000000,  0.0000669300000000 ]  - [   0.0000002600000000,  0.0000001100000000,  0.0000670100000000 ]  - [  -0.0000494400000000,  0.0000479600000000,  0.0000254400000000 ]  - [   0.0000001600000000, -0.0000000100000000,  0.0000678100000000 ]  - [   0.0000009000000000,  0.0000021800000000,  0.0000688300000000 ]  - [  -0.0000025500000000, -0.0000106500000000,  0.0000644900000000 ]  - [   0.0000001900000000,  0.0000002000000000,  0.0000637300000000 ]- atom:    7  displacement:    [   0.0049999999897458, -0.0086602540437647,  0.0000000000000000 ]  forces:  - [  -0.0000613200000000,  0.0001178100000000,  0.0001218100000000 ]  - [   0.0000530800000000, -0.0000341500000000, -0.0000255000000000 ]  - [  -0.0000705000000000,  0.0000384700000000, -0.0000915000000000 ]  - [   0.0001228100000000,  0.0000648300000000, -0.0001389700000000 ]  - [  -0.0000474900000000, -0.0007105900000000, -0.0007763900000000 ]  - [   0.0004785600000000,  0.0001409400000000,  0.0005757300000000 ]  - [  -0.0105603600000000,  0.0416227300000000, -0.0141510400000000 ]  - [   0.0045588600000000, -0.0096655100000000, -0.0003789000000000 ]  - [  -0.0004227700000000,  0.0014734900000000, -0.0008926600000000 ]  - [  -0.0008617100000000, -0.0002478300000000,  0.0013695400000000 ]  - [   0.0012571900000000, -0.0002505000000000,  0.0021410400000000 ]  - [  -0.0025332400000000, -0.0038536900000000, -0.0007035300000000 ]  - [   0.0001041700000000, -0.0000928900000000,  0.0002107300000000 ]  - [  -0.0000845900000000, -0.0000306200000000, -0.0001265900000000 ]  - [   0.0000896900000000, -0.0000893200000000,  0.0000047800000000 ]  - [  -0.0000144300000000, -0.0000080700000000,  0.0000566400000000 ]  - [  -0.0000001400000000,  0.0000164300000000,  0.0000564500000000 ]  - [   0.0000146400000000, -0.0000083600000000,  0.0000570200000000 ]  - [  -0.0000010300000000, -0.0000091600000000,  0.0000632700000000 ]  - [  -0.0000052800000000,  0.0000034500000000,  0.0000579500000000 ]  - [  -0.0000103500000000,  0.0000156800000000,  0.0000738100000000 ]  - [  -0.0000037500000000,  0.0000035600000000,  0.0000497000000000 ]  - [   0.0000001300000000,  0.0000120200000000,  0.0000571100000000 ]  - [   0.0000056200000000,  0.0000054100000000,  0.0000608100000000 ]  - [   0.0000000800000000,  0.0000156700000000,  0.0000574900000000 ]  - [   0.0000133400000000, -0.0000076700000000,  0.0000572600000000 ]  - [  -0.0000134200000000, -0.0000078100000000,  0.0000573600000000 ]  - [  -0.0000116300000000, -0.0000005600000000,  0.0000869400000000 ]  - [   0.0000109800000000, -0.0000051700000000,  0.0000199500000000 ]  - [   0.0000265100000000, -0.0000007300000000,  0.0000577100000000 ]  - [  -0.0000010100000000, -0.0000096300000000,  0.0000619800000000 ]  - [  -0.0000079900000000,  0.0000022600000000,  0.0000608900000000 ]  - [  -0.0000047900000000,  0.0000028200000000,  0.0000604400000000 ]  - [  -0.0000002200000000, -0.0000052200000000,  0.0000597400000000 ]  - [   0.0000052100000000,  0.0000029500000000,  0.0000606200000000 ]  - [   0.0000059300000000,  0.0000028000000000,  0.0000597300000000 ]  - [   0.0004911800000000, -0.0000650500000000, -0.0003749600000000 ]  - [   0.0014636100000000, -0.0034968000000000,  0.0019367900000000 ]  - [   0.0000281500000000, -0.0000812300000000, -0.0001243900000000 ]  - [  -0.0000004900000000,  0.0000003700000000, -0.0000771800000000 ]  - [   0.0000004700000000, -0.0000002500000000, -0.0000799500000000 ]  - [   0.0000072400000000,  0.0000107000000000, -0.0000845100000000 ]  - [  -0.0000978400000000, -0.0000928200000000, -0.0000819200000000 ]  - [   0.0054084300000000, -0.0238840200000000,  0.0104996600000000 ]  - [  -0.0004988000000000,  0.0008420200000000,  0.0001284200000000 ]  - [   0.0000080800000000, -0.0000094300000000, -0.0001404300000000 ]  - [  -0.0000001800000000,  0.0000002300000000, -0.0001395100000000 ]  - [   0.0000003300000000,  0.0000012600000000, -0.0001392800000000 ]  - [   0.0002067100000000, -0.0002750900000000, -0.0002978800000000 ]  - [   0.0009687500000000, -0.0011905700000000,  0.0004690400000000 ]  - [   0.0000935600000000, -0.0002734000000000,  0.0007514400000000 ]  - [  -0.0001568600000000,  0.0000344000000000, -0.0001060800000000 ]  - [  -0.0000031000000000,  0.0000126900000000, -0.0000791800000000 ]  - [  -0.0000009300000000,  0.0000016200000000, -0.0000696700000000 ]  - [  -0.0000005500000000,  0.0000001600000000, -0.0000653400000000 ]  - [   0.0000498800000000, -0.0000474300000000, -0.0000292500000000 ]  - [  -0.0000002300000000, -0.0000001700000000, -0.0000667700000000 ]  - [  -0.0000010300000000, -0.0000019100000000, -0.0000707100000000 ]  - [   0.0000028500000000,  0.0000107400000000, -0.0000618500000000 ]  - [  -0.0000000100000000,  0.0000001200000000, -0.0000679400000000 ]- atom:    7  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0004442500000000,  0.0008864600000000 ]  - [  -0.0000249600000000, -0.0000688700000000,  0.0003710800000000 ]  - [   0.0000249600000000, -0.0000688700000000,  0.0003710800000000 ]  - [  -0.0009539200000000,  0.0002493100000000,  0.0009018000000000 ]  - [   0.0000000000000000,  0.0001518100000000, -0.0002607300000000 ]  - [   0.0009539200000000,  0.0002493100000000,  0.0009018000000000 ]  - [   0.0000000000000000,  0.0163158400000000, -0.0379198100000000 ]  - [   0.0007173300000000, -0.0000639200000000, -0.0040914400000000 ]  - [  -0.0021270200000000, -0.0022654800000000,  0.0037864600000000 ]  - [   0.0000000000000000, -0.0015898800000000, -0.0019599900000000 ]  - [   0.0021270200000000, -0.0022654800000000,  0.0037864600000000 ]  - [  -0.0007173300000000, -0.0000639200000000, -0.0040914400000000 ]  - [   0.0000000000000000,  0.0000739000000000,  0.0008324600000000 ]  - [   0.0001018500000000, -0.0002241800000000,  0.0004081000000000 ]  - [  -0.0001018500000000, -0.0002241800000000,  0.0004081000000000 ]  - [  -0.0001392600000000, -0.0000803800000000,  0.0005550300000000 ]  - [   0.0000000000000000,  0.0001602000000000,  0.0005547200000000 ]  - [   0.0001392600000000, -0.0000803800000000,  0.0005550300000000 ]  - [   0.0000000000000000, -0.0000632700000000,  0.0005913700000000 ]  - [  -0.0000527900000000,  0.0000320100000000,  0.0005870700000000 ]  - [  -0.0000627600000000,  0.0000550600000000,  0.0006104000000000 ]  - [   0.0000000000000000, -0.0000637500000000,  0.0005957700000000 ]  - [   0.0000627600000000,  0.0000550600000000,  0.0006104000000000 ]  - [   0.0000527900000000,  0.0000320100000000,  0.0005870700000000 ]  - [   0.0000000000000000,  0.0001495600000000,  0.0005525500000000 ]  - [   0.0001291800000000, -0.0000747200000000,  0.0005523800000000 ]  - [  -0.0001291800000000, -0.0000747200000000,  0.0005523800000000 ]  - [  -0.0001608800000000, -0.0000344600000000,  0.0005663300000000 ]  - [   0.0000000000000000,  0.0001645000000000,  0.0005114700000000 ]  - [   0.0001608800000000, -0.0000344600000000,  0.0005663300000000 ]  - [   0.0000000000000000, -0.0000659900000000,  0.0005917200000000 ]  - [  -0.0000545800000000,  0.0000288000000000,  0.0005870600000000 ]  - [  -0.0000670100000000,  0.0000383900000000,  0.0006030400000000 ]  - [   0.0000000000000000, -0.0000767600000000,  0.0006027900000000 ]  - [   0.0000670100000000,  0.0000383900000000,  0.0006030400000000 ]  - [   0.0000545800000000,  0.0000288000000000,  0.0005870600000000 ]  - [   0.0000000000000000,  0.0002632700000000, -0.0004738900000000 ]  - [   0.0000000000000000, -0.0004335400000000,  0.0035839100000000 ]  - [   0.0000000000000000, -0.0001364100000000, -0.0007963700000000 ]  - [   0.0000000000000000,  0.0000008600000000, -0.0007540100000000 ]  - [   0.0000000000000000, -0.0000006800000000, -0.0007734600000000 ]  - [   0.0000000000000000,  0.0000238700000000, -0.0007583700000000 ]  - [   0.0000000000000000, -0.0003573100000000, -0.0013509300000000 ]  - [   0.0000000000000000, -0.0108317900000000,  0.0266400300000000 ]  - [   0.0000000000000000,  0.0014305300000000, -0.0012391700000000 ]  - [   0.0000000000000000, -0.0000101900000000, -0.0013894300000000 ]  - [   0.0000000000000000, -0.0000001000000000, -0.0013456000000000 ]  - [   0.0000000000000000,  0.0000028600000000, -0.0013860100000000 ]  - [   0.0000000000000000, -0.0003824200000000,  0.0025556000000000 ]  - [   0.0000000000000000, -0.0001840900000000,  0.0048002800000000 ]  - [   0.0000000000000000,  0.0001721800000000,  0.0021695600000000 ]  - [   0.0000000000000000, -0.0003314400000000, -0.0006574000000000 ]  - [   0.0000000000000000,  0.0000184100000000, -0.0006726100000000 ]  - [   0.0000000000000000,  0.0000012900000000, -0.0006698000000000 ]  - [   0.0000000000000000, -0.0000002400000000, -0.0006456300000000 ]  - [   0.0000000000000000, -0.0000459300000000, -0.0006530300000000 ]  - [   0.0000000000000000, -0.0000003000000000, -0.0006681900000000 ]  - [   0.0000000000000000, -0.0000015500000000, -0.0006729200000000 ]  - [   0.0000000000000000,  0.0000180600000000, -0.0006434000000000 ]  - [   0.0000000000000000,  0.0000011400000000, -0.0006525800000000 ]- atom:    7  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0004500400000000, -0.0008851300000000 ]  - [   0.0000218900000000,  0.0000715100000000, -0.0003680200000000 ]  - [  -0.0000218900000000,  0.0000715100000000, -0.0003680200000000 ]  - [   0.0009416800000000, -0.0002502200000000, -0.0008959900000000 ]  - [   0.0000000000000000, -0.0001507700000000,  0.0002487600000000 ]  - [  -0.0009416800000000, -0.0002502200000000, -0.0008959900000000 ]  - [   0.0000000000000000, -0.0170926300000000,  0.0381688900000000 ]  - [  -0.0006950900000000,  0.0000042400000000,  0.0040820000000000 ]  - [   0.0021471300000000,  0.0022881600000000, -0.0038173500000000 ]  - [   0.0000000000000000,  0.0015833000000000,  0.0019924700000000 ]  - [  -0.0021471300000000,  0.0022881600000000, -0.0038173500000000 ]  - [   0.0006950900000000,  0.0000042400000000,  0.0040820000000000 ]  - [   0.0000000000000000, -0.0000807300000000, -0.0008303000000000 ]  - [  -0.0001084100000000,  0.0002257100000000, -0.0004113600000000 ]  - [   0.0001084100000000,  0.0002257100000000, -0.0004113600000000 ]  - [   0.0001331500000000,  0.0000769200000000, -0.0005521500000000 ]  - [   0.0000000000000000, -0.0001533800000000, -0.0005518900000000 ]  - [  -0.0001331500000000,  0.0000769200000000, -0.0005521500000000 ]  - [   0.0000000000000000,  0.0000705300000000, -0.0005986600000000 ]  - [   0.0000588300000000, -0.0000355500000000, -0.0005945200000000 ]  - [   0.0000566800000000, -0.0000514800000000, -0.0006004800000000 ]  - [   0.0000000000000000,  0.0000566600000000, -0.0005865200000000 ]  - [  -0.0000566800000000, -0.0000514800000000, -0.0006004800000000 ]  - [  -0.0000588300000000, -0.0000355500000000, -0.0005945200000000 ]  - [   0.0000000000000000, -0.0001549100000000, -0.0005518700000000 ]  - [  -0.0001341300000000,  0.0000773400000000, -0.0005517700000000 ]  - [   0.0001341300000000,  0.0000773400000000, -0.0005517700000000 ]  - [   0.0001557700000000,  0.0000313600000000, -0.0005654800000000 ]  - [   0.0000000000000000, -0.0001589100000000, -0.0005103400000000 ]  - [  -0.0001557700000000,  0.0000313600000000, -0.0005654800000000 ]  - [   0.0000000000000000,  0.0000725000000000, -0.0005985300000000 ]  - [   0.0000601300000000, -0.0000317600000000, -0.0005943600000000 ]  - [   0.0000614000000000, -0.0000351300000000, -0.0005960800000000 ]  - [   0.0000000000000000,  0.0000695900000000, -0.0005957300000000 ]  - [  -0.0000614000000000, -0.0000351300000000, -0.0005960800000000 ]  - [  -0.0000601300000000, -0.0000317600000000, -0.0005943600000000 ]  - [   0.0000000000000000, -0.0002633800000000,  0.0004441000000000 ]  - [   0.0000000000000000,  0.0005983100000000, -0.0033820800000000 ]  - [   0.0000000000000000,  0.0001334300000000,  0.0007840000000000 ]  - [   0.0000000000000000,  0.0000002600000000,  0.0007640400000000 ]  - [   0.0000000000000000, -0.0000001800000000,  0.0007589000000000 ]  - [   0.0000000000000000, -0.0000229300000000,  0.0007680300000000 ]  - [   0.0000000000000000,  0.0003588100000000,  0.0013467400000000 ]  - [   0.0000000000000000,  0.0115840100000000, -0.0270371700000000 ]  - [   0.0000000000000000, -0.0014140400000000,  0.0012471600000000 ]  - [   0.0000000000000000,  0.0000097200000000,  0.0013873300000000 ]  - [   0.0000000000000000, -0.0000002700000000,  0.0013394200000000 ]  - [   0.0000000000000000, -0.0000020600000000,  0.0013888700000000 ]  - [   0.0000000000000000,  0.0003479900000000, -0.0026136900000000 ]  - [   0.0000000000000000,  0.0001842600000000, -0.0047895900000000 ]  - [   0.0000000000000000, -0.0002129600000000, -0.0020969200000000 ]  - [   0.0000000000000000,  0.0003351800000000,  0.0006480300000000 ]  - [   0.0000000000000000, -0.0000182600000000,  0.0006723600000000 ]  - [   0.0000000000000000, -0.0000021200000000,  0.0006674500000000 ]  - [   0.0000000000000000, -0.0000000100000000,  0.0006498100000000 ]  - [   0.0000000000000000,  0.0000462400000000,  0.0006477200000000 ]  - [   0.0000000000000000,  0.0000006900000000,  0.0006698000000000 ]  - [   0.0000000000000000,  0.0000018600000000,  0.0006715600000000 ]  - [   0.0000000000000000, -0.0000181800000000,  0.0006473000000000 ]  - [   0.0000000000000000,  0.0000001900000000,  0.0006468000000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0009110800000000,  0.0000117500000000,  0.0000085800000000 ]  - [   0.0009099900000000,  0.0000018800000000, -0.0002267200000000 ]  - [   0.0010835000000000,  0.0001015100000000,  0.0001120400000000 ]  - [  -0.0000425600000000, -0.0000284000000000,  0.0000343000000000 ]  - [   0.0000069200000000,  0.0000048500000000,  0.0000006000000000 ]  - [  -0.0000339600000000,  0.0000237500000000, -0.0000331700000000 ]  - [   0.0009827100000000,  0.0000071600000000, -0.0000072000000000 ]  - [   0.0003084700000000,  0.0003891800000000,  0.0002217200000000 ]  - [   0.0038385800000000, -0.0005275700000000, -0.0003820700000000 ]  - [   0.0029238500000000, -0.0000161300000000, -0.0000066900000000 ]  - [   0.0037536200000000,  0.0004801500000000,  0.0005121500000000 ]  - [   0.0002970600000000, -0.0003958900000000, -0.0002345100000000 ]  - [  -0.0000053900000000, -0.0000054900000000, -0.0000012000000000 ]  - [  -0.0000059200000000,  0.0000003100000000, -0.0000010400000000 ]  - [   0.0000040600000000,  0.0000054700000000, -0.0000015500000000 ]  - [  -0.0000039300000000, -0.0000024800000000,  0.0000012000000000 ]  - [   0.0000005500000000,  0.0000056100000000,  0.0000016300000000 ]  - [   0.0000057200000000, -0.0000028500000000,  0.0000020300000000 ]  - [   0.0000010100000000,  0.0000070100000000, -0.0000071500000000 ]  - [   0.0000066500000000, -0.0000032600000000, -0.0000073600000000 ]  - [  -0.0000045500000000,  0.0000032700000000,  0.0000081800000000 ]  - [   0.0000012900000000, -0.0000066500000000,  0.0000076400000000 ]  - [   0.0000072100000000,  0.0000033900000000,  0.0000077700000000 ]  - [  -0.0000050000000000, -0.0000035300000000, -0.0000069300000000 ]  - [   0.0000017200000000, -0.0000049100000000, -0.0000002900000000 ]  - [  -0.0000045400000000,  0.0000036000000000, -0.0000020700000000 ]  - [   0.0000042300000000,  0.0000014000000000,  0.0000015400000000 ]  - [  -0.0000507600000000,  0.0006421200000000, -0.0010471200000000 ]  - [  -0.0011653100000000,  0.0000030400000000, -0.0000001500000000 ]  - [  -0.0000460300000000, -0.0006476300000000,  0.0010478700000000 ]  - [   0.0000556800000000,  0.0000068700000000, -0.0000075000000000 ]  - [   0.0000905400000000, -0.0000199000000000, -0.0001243900000000 ]  - [  -0.0000093800000000,  0.0000153100000000,  0.0000267200000000 ]  - [   0.0000167500000000, -0.0000069500000000,  0.0000065400000000 ]  - [   0.0000022200000000, -0.0000082400000000, -0.0000137000000000 ]  - [   0.0000789200000000,  0.0000135800000000,  0.0001092500000000 ]  - [  -0.0222393200000000, -0.0000296400000000,  0.0000290000000000 ]  - [   0.0001160800000000,  0.0000007500000000,  0.0000023800000000 ]  - [  -0.0000007700000000, -0.0000003500000000, -0.0000026200000000 ]  - [   0.0000003600000000,  0.0000004300000000,  0.0000080600000000 ]  - [  -0.0000010300000000, -0.0000003200000000, -0.0000044900000000 ]  - [  -0.0004679100000000,  0.0000003700000000,  0.0000022100000000 ]  - [   0.0074741800000000, -0.0000048000000000,  0.0000175200000000 ]  - [  -0.0071102700000000, -0.0000028400000000, -0.0000573100000000 ]  - [   0.0000304300000000,  0.0000000800000000,  0.0000018500000000 ]  - [   0.0000020200000000, -0.0000000200000000, -0.0000007200000000 ]  - [   0.0000015600000000, -0.0000000200000000, -0.0000026700000000 ]  - [  -0.0001114200000000,  0.0000001200000000,  0.0000025900000000 ]  - [   0.0031814300000000,  0.0000232500000000,  0.0000175600000000 ]  - [   0.0006685400000000,  0.0000008500000000, -0.0000023600000000 ]  - [   0.0000413400000000, -0.0000001200000000,  0.0000040800000000 ]  - [   0.0054968200000000, -0.0000403600000000, -0.0000189500000000 ]  - [   0.0000009100000000,  0.0000004700000000, -0.0000000200000000 ]  - [   0.0000016200000000, -0.0000001200000000, -0.0000010300000000 ]  - [   0.0000002800000000, -0.0000000600000000,  0.0000028100000000 ]  - [  -0.0000002100000000,  0.0000002500000000, -0.0000041500000000 ]  - [   0.0000161300000000,  0.0000001900000000,  0.0000009800000000 ]  - [   0.0000603000000000, -0.0000000800000000,  0.0000000400000000 ]  - [  -0.0010786900000000, -0.0000002200000000,  0.0000107800000000 ]  - [   0.0000026000000000,  0.0000008900000000, -0.0000045100000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0019372200000000,  0.0039845200000000 ]  - [   0.0016776800000000, -0.0009686100000000,  0.0039845200000000 ]  - [  -0.0016776800000000, -0.0009686100000000,  0.0039845200000000 ]  - [   0.0001417200000000,  0.0000818200000000, -0.0007019400000000 ]  - [   0.0000000000000000, -0.0001636500000000, -0.0007019400000000 ]  - [  -0.0001417200000000,  0.0000818200000000, -0.0007019400000000 ]  - [   0.0000000000000000,  0.0004299800000000, -0.0004475600000000 ]  - [   0.0003723700000000, -0.0002149900000000, -0.0004475600000000 ]  - [  -0.0018769100000000,  0.0010836400000000,  0.0035464000000000 ]  - [   0.0000000000000000, -0.0021672700000000,  0.0035464000000000 ]  - [   0.0018769100000000,  0.0010836400000000,  0.0035464000000000 ]  - [  -0.0003723700000000, -0.0002149900000000, -0.0004475600000000 ]  - [   0.0000000000000000, -0.0001952100000000, -0.0007050100000000 ]  - [  -0.0001690600000000,  0.0000976100000000, -0.0007050100000000 ]  - [   0.0001690600000000,  0.0000976100000000, -0.0007050100000000 ]  - [   0.0001706700000000,  0.0000985300000000, -0.0007051300000000 ]  - [   0.0000000000000000, -0.0001970700000000, -0.0007051300000000 ]  - [  -0.0001706700000000,  0.0000985300000000, -0.0007051300000000 ]  - [   0.0000000000000000,  0.0000886100000000, -0.0007611700000000 ]  - [   0.0000767300000000, -0.0000443000000000, -0.0007611700000000 ]  - [   0.0000778800000000, -0.0000449600000000, -0.0007591400000000 ]  - [   0.0000000000000000,  0.0000899300000000, -0.0007591400000000 ]  - [  -0.0000778800000000, -0.0000449600000000, -0.0007591400000000 ]  - [  -0.0000767300000000, -0.0000443000000000, -0.0007611700000000 ]  - [   0.0000000000000000, -0.0001976500000000, -0.0007037000000000 ]  - [  -0.0001711700000000,  0.0000988300000000, -0.0007037000000000 ]  - [   0.0001711700000000,  0.0000988300000000, -0.0007037000000000 ]  - [   0.0002736100000000,  0.0001579700000000, -0.0004480100000000 ]  - [   0.0000000000000000, -0.0003159300000000, -0.0004480100000000 ]  - [  -0.0002736100000000,  0.0001579700000000, -0.0004480100000000 ]  - [   0.0000000000000000,  0.0001393700000000, -0.0007842900000000 ]  - [   0.0001207000000000, -0.0000696900000000, -0.0007842900000000 ]  - [   0.0000855000000000, -0.0000493600000000, -0.0007636700000000 ]  - [   0.0000000000000000,  0.0000987300000000, -0.0007636700000000 ]  - [  -0.0000855000000000, -0.0000493600000000, -0.0007636700000000 ]  - [  -0.0001207000000000, -0.0000696900000000, -0.0007842900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0461902800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009040300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009755600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009771100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009751100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007702600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033667400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0250419300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017334800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017761100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017161500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018308900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038674200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012626900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007854300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053374500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008580700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008561200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008337100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008357800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008610400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007875600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0051655300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008279000000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0020109200000000, -0.0040114300000000 ]  - [  -0.0017415100000000,  0.0010054600000000, -0.0040114300000000 ]  - [   0.0017415100000000,  0.0010054600000000, -0.0040114300000000 ]  - [  -0.0001425300000000, -0.0000822900000000,  0.0007029700000000 ]  - [   0.0000000000000000,  0.0001645800000000,  0.0007029700000000 ]  - [   0.0001425300000000, -0.0000822900000000,  0.0007029700000000 ]  - [   0.0000000000000000, -0.0004300200000000,  0.0004610500000000 ]  - [  -0.0003724000000000,  0.0002150100000000,  0.0004610500000000 ]  - [   0.0019138000000000, -0.0011049400000000, -0.0034131700000000 ]  - [   0.0000000000000000,  0.0022098700000000, -0.0034131700000000 ]  - [  -0.0019138000000000, -0.0011049400000000, -0.0034131700000000 ]  - [   0.0003724000000000,  0.0002150100000000,  0.0004610500000000 ]  - [   0.0000000000000000,  0.0001949800000000,  0.0007076500000000 ]  - [   0.0001688500000000, -0.0000974900000000,  0.0007076500000000 ]  - [  -0.0001688500000000, -0.0000974900000000,  0.0007076500000000 ]  - [  -0.0001716600000000, -0.0000991100000000,  0.0007073100000000 ]  - [   0.0000000000000000,  0.0001982100000000,  0.0007073100000000 ]  - [   0.0001716600000000, -0.0000991100000000,  0.0007073100000000 ]  - [   0.0000000000000000, -0.0000902200000000,  0.0007619000000000 ]  - [  -0.0000781300000000,  0.0000451100000000,  0.0007619000000000 ]  - [  -0.0000770200000000,  0.0000444600000000,  0.0007638600000000 ]  - [   0.0000000000000000, -0.0000889300000000,  0.0007638600000000 ]  - [   0.0000770200000000,  0.0000444600000000,  0.0007638600000000 ]  - [   0.0000781300000000,  0.0000451100000000,  0.0007619000000000 ]  - [   0.0000000000000000,  0.0001981400000000,  0.0007080100000000 ]  - [   0.0001715900000000, -0.0000990700000000,  0.0007080100000000 ]  - [  -0.0001715900000000, -0.0000990700000000,  0.0007080100000000 ]  - [  -0.0002685300000000, -0.0001550400000000,  0.0004377200000000 ]  - [   0.0000000000000000,  0.0003100700000000,  0.0004377200000000 ]  - [   0.0002685300000000, -0.0001550400000000,  0.0004377200000000 ]  - [   0.0000000000000000, -0.0001424300000000,  0.0007859700000000 ]  - [  -0.0001233500000000,  0.0000712200000000,  0.0007859700000000 ]  - [  -0.0000842700000000,  0.0000486500000000,  0.0007662400000000 ]  - [   0.0000000000000000, -0.0000973000000000,  0.0007662400000000 ]  - [   0.0000842700000000,  0.0000486500000000,  0.0007662400000000 ]  - [   0.0001233500000000,  0.0000712200000000,  0.0007859700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0452072100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008956100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009813700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009746600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009818400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007639700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033413800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0244085400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017327500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017803400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017234700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018315900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038584900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012622000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007825300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0053678300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008569700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008585400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008308400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008402200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008611600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007883200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0052381000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008333800000000 ]- atom:   43  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0097783800000000, -0.0001281100000000, -0.0000863400000000 ]  - [   0.0201530700000000, -0.0060277000000000,  0.0089208200000000 ]  - [   0.0194295500000000,  0.0055386100000000, -0.0082491200000000 ]  - [   0.0000145500000000,  0.0000137100000000, -0.0000200900000000 ]  - [  -0.0000090900000000,  0.0000001100000000, -0.0000007400000000 ]  - [   0.0000150500000000, -0.0000138800000000,  0.0000185300000000 ]  - [  -0.0001953600000000, -0.0000006700000000,  0.0000000300000000 ]  - [   0.0000295200000000, -0.0001300400000000, -0.0003098300000000 ]  - [  -0.0009773300000000, -0.0000093200000000,  0.0012298700000000 ]  - [  -0.0009931200000000,  0.0000010400000000,  0.0000007200000000 ]  - [  -0.0009821900000000,  0.0000061000000000, -0.0012335500000000 ]  - [   0.0000319800000000,  0.0001310400000000,  0.0003104200000000 ]  - [   0.0000039600000000, -0.0000006400000000, -0.0000001800000000 ]  - [   0.0000006900000000,  0.0000018700000000, -0.0000045400000000 ]  - [   0.0000019600000000, -0.0000012000000000,  0.0000040900000000 ]  - [   0.0000006900000000, -0.0000018700000000,  0.0000045400000000 ]  - [   0.0000039600000000,  0.0000006400000000,  0.0000001800000000 ]  - [   0.0000019600000000,  0.0000012000000000, -0.0000040900000000 ]  - [  -0.0000004200000000, -0.0000007900000000, -0.0000005300000000 ]  - [  -0.0000011200000000,  0.0000004100000000, -0.0000005700000000 ]  - [   0.0000005200000000, -0.0000005600000000,  0.0000008100000000 ]  - [  -0.0000004200000000,  0.0000007900000000,  0.0000005300000000 ]  - [  -0.0000011200000000, -0.0000004100000000,  0.0000005700000000 ]  - [   0.0000005200000000,  0.0000005600000000, -0.0000008100000000 ]  - [  -0.0000090900000000, -0.0000001100000000,  0.0000007400000000 ]  - [   0.0000145500000000, -0.0000137100000000,  0.0000200900000000 ]  - [   0.0000150500000000,  0.0000138800000000, -0.0000185300000000 ]  - [   0.0201530700000000,  0.0060277000000000, -0.0089208200000000 ]  - [   0.0097783800000000,  0.0001281100000000,  0.0000863400000000 ]  - [   0.0194295500000000, -0.0055386100000000,  0.0082491200000000 ]  - [  -0.0009931200000000, -0.0000010400000000, -0.0000007200000000 ]  - [  -0.0009821900000000, -0.0000061000000000,  0.0012335500000000 ]  - [   0.0000319800000000, -0.0001310400000000, -0.0003104200000000 ]  - [  -0.0001953600000000,  0.0000006700000000, -0.0000000300000000 ]  - [   0.0000295200000000,  0.0001300400000000,  0.0003098300000000 ]  - [  -0.0009773300000000,  0.0000093200000000, -0.0012298700000000 ]  - [   0.0074734200000000,  0.0000058100000000,  0.0000044900000000 ]  - [   0.0000280900000000,  0.0000003100000000, -0.0000003600000000 ]  - [   0.0000024800000000, -0.0000004300000000, -0.0000008600000000 ]  - [   0.0000024800000000,  0.0000004300000000,  0.0000008600000000 ]  - [   0.0000280900000000, -0.0000003100000000,  0.0000003600000000 ]  - [   0.0074734200000000, -0.0000058100000000, -0.0000044900000000 ]  - [  -0.1223771800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0012656100000000,  0.0000007700000000, -0.0000002200000000 ]  - [  -0.0000290900000000,  0.0000001200000000,  0.0000023200000000 ]  - [   0.0000008100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000290900000000, -0.0000001200000000, -0.0000023200000000 ]  - [   0.0012656100000000, -0.0000007700000000,  0.0000002200000000 ]  - [  -0.0020198900000000,  0.0000000700000000,  0.0000045400000000 ]  - [  -0.0001893200000000, -0.0000002200000000, -0.0000013400000000 ]  - [  -0.0000281300000000, -0.0000001900000000,  0.0000016400000000 ]  - [   0.0083836100000000,  0.0000560600000000,  0.0000466800000000 ]  - [  -0.0000004700000000, -0.0000002500000000,  0.0000009900000000 ]  - [  -0.0000004700000000,  0.0000002500000000, -0.0000009900000000 ]  - [   0.0000012500000000, -0.0000003600000000,  0.0000014700000000 ]  - [   0.0000012500000000,  0.0000003600000000, -0.0000014700000000 ]  - [  -0.0001893200000000,  0.0000002200000000,  0.0000013400000000 ]  - [  -0.0020198900000000, -0.0000000700000000, -0.0000045400000000 ]  - [   0.0083836100000000, -0.0000560600000000, -0.0000466800000000 ]  - [  -0.0000281300000000,  0.0000001900000000, -0.0000016400000000 ]- atom:   43  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0122017400000000,  0.0228806900000000 ]  - [   0.0105670200000000, -0.0061008700000000,  0.0228806900000000 ]  - [  -0.0105670200000000, -0.0061008700000000,  0.0228806900000000 ]  - [   0.0003026900000000,  0.0001747600000000, -0.0012470600000000 ]  - [   0.0000000000000000, -0.0003495100000000, -0.0012470600000000 ]  - [  -0.0003026900000000,  0.0001747600000000, -0.0012470600000000 ]  - [   0.0000000000000000,  0.0000908400000000, -0.0013479000000000 ]  - [   0.0000786700000000, -0.0000454200000000, -0.0013479000000000 ]  - [  -0.0001229200000000,  0.0000709700000000, -0.0012401200000000 ]  - [   0.0000000000000000, -0.0001419400000000, -0.0012401200000000 ]  - [   0.0001229200000000,  0.0000709700000000, -0.0012401200000000 ]  - [  -0.0000786700000000, -0.0000454200000000, -0.0013479000000000 ]  - [   0.0000000000000000, -0.0003494200000000, -0.0012454700000000 ]  - [  -0.0003026100000000,  0.0001747100000000, -0.0012454700000000 ]  - [   0.0003026100000000,  0.0001747100000000, -0.0012454700000000 ]  - [   0.0003018100000000,  0.0001742500000000, -0.0012458400000000 ]  - [   0.0000000000000000, -0.0003485000000000, -0.0012458400000000 ]  - [  -0.0003018100000000,  0.0001742500000000, -0.0012458400000000 ]  - [   0.0000000000000000,  0.0001563200000000, -0.0013436000000000 ]  - [   0.0001353700000000, -0.0000781600000000, -0.0013436000000000 ]  - [   0.0001370300000000, -0.0000791200000000, -0.0013420700000000 ]  - [   0.0000000000000000,  0.0001582300000000, -0.0013420700000000 ]  - [  -0.0001370300000000, -0.0000791200000000, -0.0013420700000000 ]  - [  -0.0001353700000000, -0.0000781600000000, -0.0013436000000000 ]  - [   0.0000000000000000, -0.0003495400000000, -0.0012451500000000 ]  - [  -0.0003027100000000,  0.0001747700000000, -0.0012451500000000 ]  - [   0.0003027100000000,  0.0001747700000000, -0.0012451500000000 ]  - [  -0.0100993600000000, -0.0058308700000000,  0.0226506200000000 ]  - [   0.0000000000000000,  0.0116617400000000,  0.0226506200000000 ]  - [   0.0100993600000000, -0.0058308700000000,  0.0226506200000000 ]  - [   0.0000000000000000, -0.0001449800000000, -0.0012460400000000 ]  - [  -0.0001255600000000,  0.0000724900000000, -0.0012460400000000 ]  - [   0.0000824700000000, -0.0000476200000000, -0.0013489500000000 ]  - [   0.0000000000000000,  0.0000952300000000, -0.0013489500000000 ]  - [  -0.0000824700000000, -0.0000476200000000, -0.0013489500000000 ]  - [   0.0001255600000000,  0.0000724900000000, -0.0012460400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033446800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017352900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017169800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017191900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017306100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0033607400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1416507900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028495400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030303400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031265400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0030262300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028588100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0080517200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014567000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014645700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063172900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015085600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015079100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014643300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014607400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014583900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0078785500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0062802800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014605700000000 ]- atom:   44  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0009116600000000, -0.0000027100000000,  0.0000000700000000 ]  - [  -0.0000223600000000,  0.0005386900000000, -0.0004311300000000 ]  - [  -0.0000238500000000, -0.0005406500000000,  0.0004419300000000 ]  - [  -0.0000223600000000, -0.0005386900000000,  0.0004311300000000 ]  - [   0.0009116600000000,  0.0000027100000000, -0.0000000700000000 ]  - [  -0.0000238500000000,  0.0005406500000000, -0.0004419300000000 ]  - [   0.0106914800000000,  0.0001248900000000, -0.0000976200000000 ]  - [   0.0233653300000000, -0.0072687400000000, -0.0093445900000000 ]  - [   0.0240294500000000, -0.0077538300000000, -0.0100704600000000 ]  - [   0.0106914800000000, -0.0001248900000000,  0.0000976200000000 ]  - [   0.0233653300000000,  0.0072687400000000,  0.0093445900000000 ]  - [   0.0240294500000000,  0.0077538300000000,  0.0100704600000000 ]  - [  -0.0001324100000000, -0.0000007100000000, -0.0000004800000000 ]  - [  -0.0001119200000000, -0.0000112000000000,  0.0002026000000000 ]  - [  -0.0001111600000000,  0.0000129800000000, -0.0002021300000000 ]  - [  -0.0000007500000000, -0.0000004100000000, -0.0000000600000000 ]  - [  -0.0000000100000000,  0.0000005400000000, -0.0000002000000000 ]  - [   0.0000004000000000, -0.0000001700000000, -0.0000002400000000 ]  - [   0.0000016300000000, -0.0000007700000000,  0.0000000300000000 ]  - [  -0.0000010400000000,  0.0000015100000000,  0.0000022600000000 ]  - [   0.0000123600000000,  0.0000018300000000, -0.0000081800000000 ]  - [   0.0000157100000000,  0.0000008100000000,  0.0000004300000000 ]  - [   0.0000106600000000, -0.0000029200000000,  0.0000092400000000 ]  - [   0.0000007700000000, -0.0000004800000000, -0.0000022700000000 ]  - [  -0.0000000100000000, -0.0000005400000000,  0.0000002000000000 ]  - [  -0.0000007500000000,  0.0000004100000000,  0.0000000600000000 ]  - [   0.0000004000000000,  0.0000001700000000,  0.0000002400000000 ]  - [  -0.0001119200000000,  0.0000112000000000, -0.0002026000000000 ]  - [  -0.0001324100000000,  0.0000007100000000,  0.0000004800000000 ]  - [  -0.0001111600000000, -0.0000129800000000,  0.0002021300000000 ]  - [   0.0000157100000000, -0.0000008100000000, -0.0000004300000000 ]  - [   0.0000106600000000,  0.0000029200000000, -0.0000092400000000 ]  - [   0.0000007700000000,  0.0000004800000000,  0.0000022700000000 ]  - [   0.0000016300000000,  0.0000007700000000, -0.0000000300000000 ]  - [  -0.0000010400000000, -0.0000015100000000, -0.0000022600000000 ]  - [   0.0000123600000000, -0.0000018300000000,  0.0000081800000000 ]  - [  -0.0071109800000000,  0.0000033200000000,  0.0000135700000000 ]  - [  -0.0071109800000000, -0.0000033200000000, -0.0000135700000000 ]  - [  -0.0001139100000000, -0.0000002100000000, -0.0000008500000000 ]  - [   0.0000001200000000,  0.0000004000000000,  0.0000003300000000 ]  - [   0.0000001200000000, -0.0000004000000000, -0.0000003300000000 ]  - [  -0.0001139100000000,  0.0000002100000000,  0.0000008500000000 ]  - [   0.0012658200000000,  0.0000037000000000, -0.0000054200000000 ]  - [  -0.1297272600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0012658200000000, -0.0000037000000000,  0.0000054200000000 ]  - [  -0.0000114700000000, -0.0000003200000000, -0.0000010400000000 ]  - [   0.0000013100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000114700000000,  0.0000003200000000,  0.0000010400000000 ]  - [   0.0099677200000000,  0.0000731200000000, -0.0000499300000000 ]  - [   0.0099677200000000, -0.0000731200000000,  0.0000499300000000 ]  - [   0.0022464200000000, -0.0000001100000000,  0.0000059200000000 ]  - [   0.0022464200000000,  0.0000001100000000, -0.0000059200000000 ]  - [   0.0000161000000000, -0.0000001400000000,  0.0000008800000000 ]  - [   0.0000012700000000,  0.0000000100000000, -0.0000015000000000 ]  - [  -0.0000003900000000, -0.0000001300000000,  0.0000016100000000 ]  - [  -0.0000336900000000,  0.0000002900000000, -0.0000007700000000 ]  - [   0.0000012700000000, -0.0000000100000000,  0.0000015000000000 ]  - [   0.0000161000000000,  0.0000001400000000, -0.0000008800000000 ]  - [  -0.0000336900000000, -0.0000002900000000,  0.0000007700000000 ]  - [  -0.0000003900000000,  0.0000001300000000, -0.0000016100000000 ]- atom:   44  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0006991000000000, -0.0009017800000000 ]  - [  -0.0006054400000000,  0.0003495500000000, -0.0009017800000000 ]  - [   0.0006054400000000,  0.0003495500000000, -0.0009017800000000 ]  - [   0.0006120900000000,  0.0003533900000000, -0.0009074100000000 ]  - [   0.0000000000000000, -0.0007067800000000, -0.0009074100000000 ]  - [  -0.0006120900000000,  0.0003533900000000, -0.0009074100000000 ]  - [   0.0000000000000000, -0.0128730400000000,  0.0270259600000000 ]  - [  -0.0111483800000000,  0.0064365200000000,  0.0270259600000000 ]  - [  -0.0105898700000000,  0.0061140600000000,  0.0266544200000000 ]  - [   0.0000000000000000, -0.0122281300000000,  0.0266544200000000 ]  - [   0.0105898700000000,  0.0061140600000000,  0.0266544200000000 ]  - [   0.0111483800000000,  0.0064365200000000,  0.0270259600000000 ]  - [   0.0000000000000000, -0.0003078100000000, -0.0012903400000000 ]  - [  -0.0002665700000000,  0.0001539000000000, -0.0012903400000000 ]  - [   0.0002665700000000,  0.0001539000000000, -0.0012903400000000 ]  - [   0.0003115200000000,  0.0001798500000000, -0.0012877500000000 ]  - [   0.0000000000000000, -0.0003597100000000, -0.0012877500000000 ]  - [  -0.0003115200000000,  0.0001798500000000, -0.0012877500000000 ]  - [   0.0000000000000000,  0.0001609700000000, -0.0013884400000000 ]  - [   0.0001394000000000, -0.0000804800000000, -0.0013884400000000 ]  - [   0.0001400300000000, -0.0000808500000000, -0.0013877300000000 ]  - [   0.0000000000000000,  0.0001617000000000, -0.0013877300000000 ]  - [  -0.0001400300000000, -0.0000808500000000, -0.0013877300000000 ]  - [  -0.0001394000000000, -0.0000804800000000, -0.0013884400000000 ]  - [   0.0000000000000000, -0.0003601700000000, -0.0012866500000000 ]  - [  -0.0003119200000000,  0.0001800800000000, -0.0012866500000000 ]  - [   0.0003119200000000,  0.0001800800000000, -0.0012866500000000 ]  - [   0.0002654500000000,  0.0001532600000000, -0.0012910500000000 ]  - [   0.0000000000000000, -0.0003065100000000, -0.0012910500000000 ]  - [  -0.0002654500000000,  0.0001532600000000, -0.0012910500000000 ]  - [   0.0000000000000000,  0.0001595000000000, -0.0013887500000000 ]  - [   0.0001381300000000, -0.0000797500000000, -0.0013887500000000 ]  - [   0.0001415200000000, -0.0000817000000000, -0.0013881900000000 ]  - [   0.0000000000000000,  0.0001634100000000, -0.0013881900000000 ]  - [  -0.0001415200000000, -0.0000817000000000, -0.0013881900000000 ]  - [  -0.0001381300000000, -0.0000797500000000, -0.0013887500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0243735300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0250704500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018297000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017770300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017754300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018316400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028512000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1962302000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028598000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032287000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0031253000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032311500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0077810100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0078189900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020345900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020348200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015683900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015578500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015142000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015194900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015589400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015685900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015223700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015101400000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007329900000000, -0.0000056900000000, -0.0000005000000000 ]  - [   0.0011984600000000, -0.0002686900000000,  0.0001261600000000 ]  - [   0.0011930000000000,  0.0002656700000000, -0.0001427800000000 ]  - [   0.0000215900000000,  0.0000597200000000, -0.0000941300000000 ]  - [  -0.0000815600000000,  0.0000052900000000, -0.0000005700000000 ]  - [   0.0000325300000000, -0.0000657600000000,  0.0000951600000000 ]  - [   0.0004135300000000,  0.0000077500000000, -0.0000072500000000 ]  - [   0.0003430100000000,  0.0000398700000000, -0.0003186100000000 ]  - [   0.0014932400000000,  0.0002360600000000, -0.0001471400000000 ]  - [   0.0018959000000000, -0.0000459400000000,  0.0000225300000000 ]  - [   0.0015125300000000, -0.0002152800000000,  0.0001720100000000 ]  - [   0.0003121100000000, -0.0000594000000000,  0.0003145200000000 ]  - [   0.0000216700000000, -0.0000062500000000, -0.0000014100000000 ]  - [   0.0000067900000000,  0.0000083900000000, -0.0000335500000000 ]  - [   0.0000179900000000, -0.0000023000000000,  0.0000303600000000 ]  - [  -0.0000051300000000, -0.0000029600000000,  0.0000013600000000 ]  - [  -0.0000000100000000,  0.0000058900000000,  0.0000013500000000 ]  - [   0.0000053700000000, -0.0000030700000000,  0.0000014700000000 ]  - [  -0.0000002600000000,  0.0000059000000000, -0.0000073000000000 ]  - [   0.0000050200000000, -0.0000031700000000, -0.0000078200000000 ]  - [  -0.0000067700000000,  0.0000025000000000,  0.0000092900000000 ]  - [  -0.0000021100000000, -0.0000059000000000,  0.0000072500000000 ]  - [   0.0000033700000000,  0.0000030300000000,  0.0000059500000000 ]  - [  -0.0000050700000000, -0.0000029400000000, -0.0000069100000000 ]  - [   0.0000000000000000, -0.0000055800000000, -0.0000005900000000 ]  - [  -0.0000048000000000,  0.0000026800000000, -0.0000003700000000 ]  - [   0.0000050600000000,  0.0000028200000000, -0.0000008300000000 ]  - [   0.0000607100000000, -0.0001587900000000,  0.0000777400000000 ]  - [   0.0003348900000000,  0.0000052300000000,  0.0000010300000000 ]  - [   0.0000696800000000,  0.0001525700000000, -0.0000781000000000 ]  - [  -0.0000061000000000,  0.0000058600000000, -0.0000077500000000 ]  - [  -0.0000073500000000,  0.0000009700000000,  0.0000077400000000 ]  - [  -0.0000035700000000,  0.0000008300000000,  0.0000047200000000 ]  - [  -0.0000023300000000, -0.0000058800000000,  0.0000060800000000 ]  - [   0.0000061900000000,  0.0000050000000000,  0.0000074100000000 ]  - [  -0.0000173500000000, -0.0000062900000000, -0.0000237800000000 ]  - [   0.0031816100000000, -0.0000269700000000, -0.0000197300000000 ]  - [   0.0006668500000000,  0.0000002300000000,  0.0000015400000000 ]  - [   0.0000163700000000, -0.0000006300000000, -0.0000055200000000 ]  - [  -0.0000007100000000,  0.0000004400000000,  0.0000085900000000 ]  - [   0.0000004400000000, -0.0000004000000000, -0.0000071700000000 ]  - [   0.0000586600000000,  0.0000002300000000,  0.0000068400000000 ]  - [  -0.0020208000000000,  0.0000034800000000,  0.0000106700000000 ]  - [   0.0099685300000000, -0.0000790000000000,  0.0000303200000000 ]  - [  -0.0001869500000000,  0.0000008100000000,  0.0000028800000000 ]  - [   0.0000018800000000, -0.0000001700000000, -0.0000000300000000 ]  - [  -0.0000002700000000, -0.0000001000000000, -0.0000019100000000 ]  - [   0.0000156500000000,  0.0000002200000000,  0.0000034400000000 ]  - [  -0.0251767700000000,  0.0001229600000000, -0.0000423800000000 ]  - [   0.0020432400000000,  0.0000126000000000,  0.0000118300000000 ]  - [  -0.0003117800000000,  0.0000002900000000,  0.0000027500000000 ]  - [   0.0020208600000000,  0.0000131600000000, -0.0000177300000000 ]  - [  -0.0000020900000000, -0.0000000800000000,  0.0000004100000000 ]  - [  -0.0000009100000000, -0.0000001900000000, -0.0000003300000000 ]  - [  -0.0000000700000000, -0.0000001800000000,  0.0000043100000000 ]  - [   0.0000089800000000, -0.0000001000000000, -0.0000046700000000 ]  - [  -0.0000019700000000, -0.0000001300000000,  0.0000007100000000 ]  - [   0.0000033200000000,  0.0000004200000000,  0.0000004100000000 ]  - [   0.0001733800000000, -0.0000004800000000,  0.0000062800000000 ]  - [  -0.0000006800000000,  0.0000014300000000, -0.0000042300000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0007758500000000,  0.0012471400000000 ]  - [   0.0006719000000000, -0.0003879200000000,  0.0012471400000000 ]  - [  -0.0006719000000000, -0.0003879200000000,  0.0012471400000000 ]  - [   0.0001573600000000,  0.0000908500000000, -0.0005941500000000 ]  - [   0.0000000000000000, -0.0001817100000000, -0.0005941500000000 ]  - [  -0.0001573600000000,  0.0000908500000000, -0.0005941500000000 ]  - [   0.0000000000000000,  0.0003587300000000,  0.0026179900000000 ]  - [   0.0003106700000000, -0.0001793600000000,  0.0026179900000000 ]  - [  -0.0004642000000000,  0.0002680100000000,  0.0047938100000000 ]  - [   0.0000000000000000, -0.0005360200000000,  0.0047938100000000 ]  - [   0.0004642000000000,  0.0002680100000000,  0.0047938100000000 ]  - [  -0.0003106700000000, -0.0001793600000000,  0.0026179900000000 ]  - [   0.0000000000000000, -0.0001612700000000, -0.0006301300000000 ]  - [  -0.0001396600000000,  0.0000806300000000, -0.0006301300000000 ]  - [   0.0001396600000000,  0.0000806300000000, -0.0006301300000000 ]  - [   0.0001499900000000,  0.0000866000000000, -0.0006209400000000 ]  - [   0.0000000000000000, -0.0001732000000000, -0.0006209400000000 ]  - [  -0.0001499900000000,  0.0000866000000000, -0.0006209400000000 ]  - [   0.0000000000000000,  0.0000774900000000, -0.0006701500000000 ]  - [   0.0000671100000000, -0.0000387400000000, -0.0006701500000000 ]  - [   0.0000682300000000, -0.0000393900000000, -0.0006682200000000 ]  - [   0.0000000000000000,  0.0000787800000000, -0.0006682200000000 ]  - [  -0.0000682300000000, -0.0000393900000000, -0.0006682200000000 ]  - [  -0.0000671100000000, -0.0000387400000000, -0.0006701500000000 ]  - [   0.0000000000000000, -0.0001737100000000, -0.0006199700000000 ]  - [  -0.0001504300000000,  0.0000868500000000, -0.0006199700000000 ]  - [   0.0001504300000000,  0.0000868500000000, -0.0006199700000000 ]  - [   0.0002810400000000,  0.0001622600000000, -0.0004398900000000 ]  - [   0.0000000000000000, -0.0003245200000000, -0.0004398900000000 ]  - [  -0.0002810400000000,  0.0001622600000000, -0.0004398900000000 ]  - [   0.0000000000000000,  0.0000911600000000, -0.0006726500000000 ]  - [   0.0000789500000000, -0.0000455800000000, -0.0006726500000000 ]  - [   0.0000703100000000, -0.0000405900000000, -0.0006726400000000 ]  - [   0.0000000000000000,  0.0000811800000000, -0.0006726400000000 ]  - [  -0.0000703100000000, -0.0000405900000000, -0.0006726400000000 ]  - [  -0.0000789500000000, -0.0000455800000000, -0.0006726500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038597000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012578800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008595300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008577600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008539800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007880000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0078812400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0078084900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014604100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015595200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015058300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015704300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0245118900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007273000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019514600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004289900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007533400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007511600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007303000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007273800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007536500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007699700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009131400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007261900000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0007569500000000, -0.0013276400000000 ]  - [  -0.0006555400000000,  0.0003784700000000, -0.0013276400000000 ]  - [   0.0006555400000000,  0.0003784700000000, -0.0013276400000000 ]  - [  -0.0001583700000000, -0.0000914400000000,  0.0005933700000000 ]  - [   0.0000000000000000,  0.0001828700000000,  0.0005933700000000 ]  - [   0.0001583700000000, -0.0000914400000000,  0.0005933700000000 ]  - [   0.0000000000000000, -0.0002986500000000, -0.0025522900000000 ]  - [  -0.0002586400000000,  0.0001493200000000, -0.0025522900000000 ]  - [   0.0004679500000000, -0.0002701700000000, -0.0047959600000000 ]  - [   0.0000000000000000,  0.0005403400000000, -0.0047959600000000 ]  - [  -0.0004679500000000, -0.0002701700000000, -0.0047959600000000 ]  - [   0.0002586400000000,  0.0001493200000000, -0.0025522900000000 ]  - [   0.0000000000000000,  0.0001609100000000,  0.0006302600000000 ]  - [   0.0001393500000000, -0.0000804500000000,  0.0006302600000000 ]  - [  -0.0001393500000000, -0.0000804500000000,  0.0006302600000000 ]  - [  -0.0001506200000000, -0.0000869600000000,  0.0006207100000000 ]  - [   0.0000000000000000,  0.0001739200000000,  0.0006207100000000 ]  - [   0.0001506200000000, -0.0000869600000000,  0.0006207100000000 ]  - [   0.0000000000000000, -0.0000790000000000,  0.0006683500000000 ]  - [  -0.0000684200000000,  0.0000395000000000,  0.0006683500000000 ]  - [  -0.0000669800000000,  0.0000386700000000,  0.0006701700000000 ]  - [   0.0000000000000000, -0.0000773400000000,  0.0006701700000000 ]  - [   0.0000669800000000,  0.0000386700000000,  0.0006701700000000 ]  - [   0.0000684200000000,  0.0000395000000000,  0.0006683500000000 ]  - [   0.0000000000000000,  0.0001736000000000,  0.0006216600000000 ]  - [   0.0001503400000000, -0.0000868000000000,  0.0006216600000000 ]  - [  -0.0001503400000000, -0.0000868000000000,  0.0006216600000000 ]  - [  -0.0002816100000000, -0.0001625900000000,  0.0004327100000000 ]  - [   0.0000000000000000,  0.0003251800000000,  0.0004327100000000 ]  - [   0.0002816100000000, -0.0001625900000000,  0.0004327100000000 ]  - [   0.0000000000000000, -0.0000929600000000,  0.0006716300000000 ]  - [  -0.0000805100000000,  0.0000464800000000,  0.0006716300000000 ]  - [  -0.0000686000000000,  0.0000396100000000,  0.0006724000000000 ]  - [   0.0000000000000000, -0.0000792100000000,  0.0006724000000000 ]  - [   0.0000686000000000,  0.0000396100000000,  0.0006724000000000 ]  - [   0.0000805100000000,  0.0000464800000000,  0.0006716300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038687700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012633000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008617100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008546600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008601300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007844500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0080489900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0077923300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014573100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015598700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015093700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015659800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0247455600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007325800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019271900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004274000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007525500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007516400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007266100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007299900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007523200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007709200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009106600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007299200000000 ]- atom:   51  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000109800000000, -0.0000049000000000, -0.0000001800000000 ]  - [   0.0000068900000000, -0.0000103700000000,  0.0000208100000000 ]  - [   0.0000156300000000,  0.0000153100000000, -0.0000213500000000 ]  - [   0.0018970000000000,  0.0001297100000000, -0.0002547100000000 ]  - [   0.0016685500000000,  0.0000304300000000,  0.0000277800000000 ]  - [   0.0019122700000000, -0.0001453000000000,  0.0002684100000000 ]  - [   0.0001860700000000,  0.0000071200000000, -0.0000035200000000 ]  - [   0.0002895700000000, -0.0000604200000000,  0.0001476300000000 ]  - [  -0.0001127000000000, -0.0001163500000000, -0.0002828800000000 ]  - [  -0.0003143000000000, -0.0000054900000000,  0.0000080100000000 ]  - [  -0.0001043800000000,  0.0001212600000000,  0.0002949800000000 ]  - [   0.0002577500000000,  0.0000408600000000, -0.0001857000000000 ]  - [   0.0005437400000000, -0.0000075200000000, -0.0000035300000000 ]  - [   0.0001204600000000,  0.0002436200000000,  0.0003665400000000 ]  - [   0.0001491800000000, -0.0002286600000000, -0.0003661200000000 ]  - [  -0.0000055200000000, -0.0000034100000000,  0.0000024500000000 ]  - [   0.0000004400000000,  0.0000055800000000,  0.0000015400000000 ]  - [   0.0000042100000000, -0.0000021500000000,  0.0000006200000000 ]  - [   0.0000055300000000,  0.0000062300000000, -0.0000068900000000 ]  - [  -0.0000027000000000,  0.0000046900000000,  0.0000088900000000 ]  - [   0.0000611600000000,  0.0000219600000000, -0.0000329000000000 ]  - [   0.0000993100000000, -0.0000056100000000,  0.0000065100000000 ]  - [   0.0000714700000000, -0.0000160800000000,  0.0000471600000000 ]  - [  -0.0000132800000000, -0.0000109800000000, -0.0000226400000000 ]  - [  -0.0000000600000000, -0.0000051700000000, -0.0000006900000000 ]  - [  -0.0000044800000000,  0.0000025300000000, -0.0000003600000000 ]  - [   0.0000045900000000,  0.0000026300000000, -0.0000010900000000 ]  - [  -0.0000014900000000, -0.0000035400000000,  0.0000014200000000 ]  - [   0.0000047400000000,  0.0000051000000000,  0.0000003600000000 ]  - [   0.0000075300000000, -0.0000015700000000, -0.0000007400000000 ]  - [  -0.0000002400000000,  0.0000059700000000, -0.0000070800000000 ]  - [   0.0000049300000000, -0.0000028300000000, -0.0000073900000000 ]  - [  -0.0000048000000000,  0.0000029300000000,  0.0000056400000000 ]  - [   0.0000000700000000, -0.0000063200000000,  0.0000056900000000 ]  - [   0.0000054700000000,  0.0000031600000000,  0.0000055100000000 ]  - [  -0.0000054000000000, -0.0000028800000000, -0.0000072300000000 ]  - [   0.0000416500000000, -0.0000006700000000, -0.0000043100000000 ]  - [   0.0054952800000000, -0.0000451900000000, -0.0000161500000000 ]  - [  -0.0010788000000000, -0.0000007500000000, -0.0000125800000000 ]  - [  -0.0000017300000000,  0.0000003000000000,  0.0000063000000000 ]  - [   0.0000003200000000, -0.0000004900000000, -0.0000035200000000 ]  - [   0.0000011000000000,  0.0000002900000000,  0.0000045000000000 ]  - [  -0.0000279300000000,  0.0000000000000000, -0.0000001500000000 ]  - [   0.0022458300000000,  0.0000000600000000,  0.0000039800000000 ]  - [   0.0083838000000000,  0.0000600700000000,  0.0000396700000000 ]  - [  -0.0000349800000000, -0.0000001800000000,  0.0000001700000000 ]  - [   0.0000010700000000, -0.0000001200000000, -0.0000019100000000 ]  - [  -0.0000004100000000,  0.0000001900000000,  0.0000033500000000 ]  - [  -0.0003115600000000,  0.0000005100000000,  0.0000010800000000 ]  - [   0.0020209700000000,  0.0000136500000000, -0.0000114600000000 ]  - [  -0.0247957100000000, -0.0000300900000000, -0.0000282500000000 ]  - [  -0.0000360700000000,  0.0000004400000000, -0.0000039700000000 ]  - [   0.0001731500000000, -0.0000002800000000, -0.0000006800000000 ]  - [   0.0000094900000000,  0.0000001500000000, -0.0000006500000000 ]  - [   0.0000014900000000, -0.0000003100000000,  0.0000028700000000 ]  - [   0.0011760300000000, -0.0000074200000000,  0.0000047100000000 ]  - [  -0.0000005300000000, -0.0000003500000000,  0.0000007300000000 ]  - [   0.0000000700000000,  0.0000000700000000,  0.0000007000000000 ]  - [   0.0000012400000000, -0.0000002100000000,  0.0000042700000000 ]  - [  -0.0000000100000000,  0.0000007700000000, -0.0000036500000000 ]- atom:   51  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0001596700000000, -0.0006119700000000 ]  - [  -0.0001382800000000,  0.0000798400000000, -0.0006119700000000 ]  - [   0.0001382800000000,  0.0000798400000000, -0.0006119700000000 ]  - [  -0.0011270500000000, -0.0006507000000000,  0.0041452200000000 ]  - [   0.0000000000000000,  0.0013014000000000,  0.0041452200000000 ]  - [   0.0011270500000000, -0.0006507000000000,  0.0041452200000000 ]  - [   0.0000000000000000, -0.0008230900000000,  0.0021000700000000 ]  - [  -0.0007128100000000,  0.0004115400000000,  0.0021000700000000 ]  - [   0.0001044500000000, -0.0000603100000000, -0.0006514700000000 ]  - [   0.0000000000000000,  0.0001206100000000, -0.0006514700000000 ]  - [  -0.0001044500000000, -0.0000603100000000, -0.0006514700000000 ]  - [   0.0007128100000000,  0.0004115400000000,  0.0021000700000000 ]  - [   0.0000000000000000,  0.0005948800000000,  0.0020359800000000 ]  - [   0.0005151800000000, -0.0002974400000000,  0.0020359800000000 ]  - [  -0.0005151800000000, -0.0002974400000000,  0.0020359800000000 ]  - [   0.0001454800000000,  0.0000839900000000, -0.0006014400000000 ]  - [   0.0000000000000000, -0.0001679900000000, -0.0006014400000000 ]  - [  -0.0001454800000000,  0.0000839900000000, -0.0006014400000000 ]  - [   0.0000000000000000,  0.0000718200000000, -0.0006471300000000 ]  - [   0.0000621900000000, -0.0000359100000000, -0.0006471300000000 ]  - [   0.0000277000000000, -0.0000159900000000, -0.0006485900000000 ]  - [   0.0000000000000000,  0.0000319800000000, -0.0006485900000000 ]  - [  -0.0000277000000000, -0.0000159900000000, -0.0006485900000000 ]  - [  -0.0000621900000000, -0.0000359100000000, -0.0006471300000000 ]  - [   0.0000000000000000, -0.0001682200000000, -0.0006006800000000 ]  - [  -0.0001456900000000,  0.0000841100000000, -0.0006006800000000 ]  - [   0.0001456900000000,  0.0000841100000000, -0.0006006800000000 ]  - [   0.0001459100000000,  0.0000842400000000, -0.0006030900000000 ]  - [   0.0000000000000000, -0.0001684800000000, -0.0006030900000000 ]  - [  -0.0001459100000000,  0.0000842400000000, -0.0006030900000000 ]  - [   0.0000000000000000,  0.0000752300000000, -0.0006492500000000 ]  - [   0.0000651500000000, -0.0000376200000000, -0.0006492500000000 ]  - [   0.0000666000000000, -0.0000384500000000, -0.0006487300000000 ]  - [   0.0000000000000000,  0.0000769100000000, -0.0006487300000000 ]  - [  -0.0000666000000000, -0.0000384500000000, -0.0006487300000000 ]  - [  -0.0000651500000000, -0.0000376200000000, -0.0006492500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007816300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053380400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0052390700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008377700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008289800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008304400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014617700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020373700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063038400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015206600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014613400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015128200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019273600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004263200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0211328700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006859300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009093300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007282000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007087400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010022300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007287900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007281200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007086600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007051000000000 ]- atom:   51  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0001598000000000,  0.0006149900000000 ]  - [   0.0001383900000000, -0.0000799000000000,  0.0006149900000000 ]  - [  -0.0001383900000000, -0.0000799000000000,  0.0006149900000000 ]  - [   0.0011276100000000,  0.0006510300000000, -0.0041479900000000 ]  - [   0.0000000000000000, -0.0013020500000000, -0.0041479900000000 ]  - [  -0.0011276100000000,  0.0006510300000000, -0.0041479900000000 ]  - [   0.0000000000000000,  0.0008779800000000, -0.0021644000000000 ]  - [   0.0007603600000000, -0.0004389900000000, -0.0021644000000000 ]  - [  -0.0001012800000000,  0.0000584800000000,  0.0006504300000000 ]  - [   0.0000000000000000, -0.0001169500000000,  0.0006504300000000 ]  - [   0.0001012800000000,  0.0000584800000000,  0.0006504300000000 ]  - [  -0.0007603600000000, -0.0004389900000000, -0.0021644000000000 ]  - [   0.0000000000000000, -0.0006379700000000, -0.0019735600000000 ]  - [  -0.0005525000000000,  0.0003189900000000, -0.0019735600000000 ]  - [   0.0005525000000000,  0.0003189900000000, -0.0019735600000000 ]  - [  -0.0001463300000000, -0.0000844800000000,  0.0006018500000000 ]  - [   0.0000000000000000,  0.0001689700000000,  0.0006018500000000 ]  - [   0.0001463300000000, -0.0000844800000000,  0.0006018500000000 ]  - [   0.0000000000000000, -0.0000735000000000,  0.0006462500000000 ]  - [  -0.0000636600000000,  0.0000367500000000,  0.0006462500000000 ]  - [  -0.0000270300000000,  0.0000156100000000,  0.0006504000000000 ]  - [   0.0000000000000000, -0.0000312100000000,  0.0006504000000000 ]  - [   0.0000270300000000,  0.0000156100000000,  0.0006504000000000 ]  - [   0.0000636600000000,  0.0000367500000000,  0.0006462500000000 ]  - [   0.0000000000000000,  0.0001683800000000,  0.0006031900000000 ]  - [   0.0001458200000000, -0.0000841900000000,  0.0006031900000000 ]  - [  -0.0001458200000000, -0.0000841900000000,  0.0006031900000000 ]  - [  -0.0001459300000000, -0.0000842500000000,  0.0006016900000000 ]  - [   0.0000000000000000,  0.0001685000000000,  0.0006016900000000 ]  - [   0.0001459300000000, -0.0000842500000000,  0.0006016900000000 ]  - [   0.0000000000000000, -0.0000771700000000,  0.0006489000000000 ]  - [  -0.0000668300000000,  0.0000385800000000,  0.0006489000000000 ]  - [  -0.0000648500000000,  0.0000374400000000,  0.0006490800000000 ]  - [   0.0000000000000000, -0.0000748800000000,  0.0006490800000000 ]  - [   0.0000648500000000,  0.0000374400000000,  0.0006490800000000 ]  - [   0.0000668300000000,  0.0000385800000000,  0.0006489000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007864000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0053727200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0051620700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008361600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008342900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008275200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014637000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020318000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0062968100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015209300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014666500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015100900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019498300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004294800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0210608400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006904100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009136500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007299800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007061500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010007700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007276800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007292200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007059300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007091800000000 ]