# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a138120a-a8c6-4952-8a28-f8580a2ed758/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 HoPS4 / I4_1/acd (142) / materials id 18532](https://mdr.nims.go.jp/datasets/b9b9dd1d-6629-4967-9626-1f48eb17530d)

## 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: "I4_1/acd"  number: 142  Hall_symbol: "I 4bw 2aw -1bw"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -5.271033070000000,     5.271033070000000,     9.387191745000001 ] # a  - [     5.271033070000000,    -5.271033070000000,     9.387191745000001 ] # b  - [     5.271033070000000,     5.271033070000000,    -9.387191745000001 ] # c  points:  - symbol: P  # 1    coordinates: [  0.125000000000000,  0.413346290000000,  0.788346290000000 ]    mass: 30.973762  - symbol: P  # 2    coordinates: [  0.125000000000000,  0.913346290000000,  0.288346290000000 ]    mass: 30.973762  - symbol: P  # 3    coordinates: [  0.663346290000000,  0.875000000000000,  0.288346290000000 ]    mass: 30.973762  - symbol: P  # 4    coordinates: [  0.586653710000000,  0.375000000000000,  0.711653710000000 ]    mass: 30.973762  - symbol: P  # 5    coordinates: [  0.625000000000000,  0.836653710000000,  0.711653710000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.625000000000000,  0.336653710000000,  0.211653710000000 ]    mass: 30.973762  - symbol: P  # 7    coordinates: [  0.086653710000000,  0.375000000000000,  0.211653710000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.163346290000000,  0.875000000000000,  0.788346290000000 ]    mass: 30.973762  - symbol: S  # 9    coordinates: [  0.482913360000000,  0.206552540000000,  0.445408460000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.761144080000000,  0.037504900000000,  0.554591540000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.787504900000000,  0.732913360000000,  0.776360820000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.956552540000000,  0.011144080000000,  0.223639180000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.488855920000000,  0.543447460000000,  0.776360820000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.767086640000000,  0.712495100000000,  0.223639180000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.293447460000000,  0.017086640000000,  0.554591540000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.462495100000000,  0.738855920000000,  0.445408460000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.283041020000000,  0.469350270000000,  0.321099670000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.219350270000000,  0.398250600000000,  0.686309250000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.711941350000000,  0.533041020000000,  0.313690750000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.966958980000000,  0.788058650000000,  0.686309250000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.101749400000000,  0.280649730000000,  0.313690750000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.538058650000000,  0.351749400000000,  0.321099670000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.030649730000000,  0.216958980000000,  0.678900330000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.148250600000000,  0.961941350000000,  0.678900330000000 ]    mass: 32.065000  - symbol: S  # 25    coordinates: [  0.466958980000000,  0.780649730000000,  0.178900330000000 ]    mass: 32.065000  - symbol: S  # 26    coordinates: [  0.530649730000000,  0.851749400000000,  0.813690750000000 ]    mass: 32.065000  - symbol: S  # 27    coordinates: [  0.038058650000000,  0.716958980000000,  0.186309250000000 ]    mass: 32.065000  - symbol: S  # 28    coordinates: [  0.783041020000000,  0.461941350000000,  0.813690750000000 ]    mass: 32.065000  - symbol: S  # 29    coordinates: [  0.648250600000000,  0.969350270000000,  0.186309250000000 ]    mass: 32.065000  - symbol: S  # 30    coordinates: [  0.211941350000000,  0.898250600000000,  0.178900330000000 ]    mass: 32.065000  - symbol: S  # 31    coordinates: [  0.719350270000000,  0.033041020000000,  0.821099670000000 ]    mass: 32.065000  - symbol: S  # 32    coordinates: [  0.601749400000000,  0.288058650000000,  0.821099670000000 ]    mass: 32.065000  - symbol: S  # 33    coordinates: [  0.988855920000000,  0.212495100000000,  0.945408460000000 ]    mass: 32.065000  - symbol: S  # 34    coordinates: [  0.962495100000000,  0.517086640000000,  0.723639180000000 ]    mass: 32.065000  - symbol: S  # 35    coordinates: [  0.793447460000000,  0.238855920000000,  0.276360820000000 ]    mass: 32.065000  - symbol: S  # 36    coordinates: [  0.261144080000000,  0.706552540000000,  0.723639180000000 ]    mass: 32.065000  - symbol: S  # 37    coordinates: [  0.982913360000000,  0.537504900000000,  0.276360820000000 ]    mass: 32.065000  - symbol: S  # 38    coordinates: [  0.456552540000000,  0.232913360000000,  0.945408460000000 ]    mass: 32.065000  - symbol: S  # 39    coordinates: [  0.287504900000000,  0.511144080000000,  0.054591540000000 ]    mass: 32.065000  - symbol: S  # 40    coordinates: [  0.267086640000000,  0.043447460000000,  0.054591540000000 ]    mass: 32.065000  - symbol: Ho # 41    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320  - symbol: Ho # 42    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 43    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 44    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320  - symbol: Ho # 45    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 164.930320  - symbol: Ho # 46    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 47    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 48    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 164.930320  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.094858065460781,     0.053264065929656 ] # a*  - [     0.094858065460781,     0.000000000000000,     0.053264065929656 ] # b*  - [     0.094858065460781,     0.094858065460781,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    10.542066139999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.542066139999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.774383490000002 ] # c  points:  - symbol: P  # 1    coordinates: [  0.038346290000000,  0.750000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.538346290000000,  0.750000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 3    coordinates: [  0.750000000000000,  0.538346290000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.250000000000000,  0.461653710000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.461653710000000,  0.250000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.961653710000000,  0.250000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 7    coordinates: [  0.250000000000000,  0.961653710000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.750000000000000,  0.038346290000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 9    coordinates: [  0.538346290000000,  0.250000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 10    coordinates: [  0.038346290000000,  0.250000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 11    coordinates: [  0.250000000000000,  0.038346290000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 12    coordinates: [  0.750000000000000,  0.961653710000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 13    coordinates: [  0.961653710000000,  0.750000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 14    coordinates: [  0.461653710000000,  0.750000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 15    coordinates: [  0.750000000000000,  0.461653710000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 16    coordinates: [  0.250000000000000,  0.538346290000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 8  - symbol: S  # 17    coordinates: [  0.584523820000000,  0.860884640000000,  0.622028720000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.415476180000000,  0.139115360000000,  0.622028720000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.360884640000000,  0.415476180000000,  0.372028720000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.639115360000000,  0.584523820000000,  0.372028720000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.415476180000000,  0.360884640000000,  0.127971280000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.584523820000000,  0.639115360000000,  0.127971280000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.639115360000000,  0.915476180000000,  0.377971280000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.360884640000000,  0.084523820000000,  0.377971280000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.253704460000000,  0.067395210000000,  0.215645810000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.932604790000000,  0.753704460000000,  0.465645810000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.067395210000000,  0.246295540000000,  0.465645810000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.253704460000000,  0.432604790000000,  0.534354190000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.746295540000000,  0.567395210000000,  0.534354190000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.067395210000000,  0.253704460000000,  0.284354190000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.932604790000000,  0.746295540000000,  0.284354190000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.746295540000000,  0.932604790000000,  0.215645810000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.246295540000000,  0.932604790000000,  0.534354190000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 34    coordinates: [  0.567395210000000,  0.246295540000000,  0.284354190000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 35    coordinates: [  0.432604790000000,  0.753704460000000,  0.284354190000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 36    coordinates: [  0.246295540000000,  0.567395210000000,  0.215645810000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 37    coordinates: [  0.753704460000000,  0.432604790000000,  0.215645810000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.432604790000000,  0.746295540000000,  0.465645810000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 39    coordinates: [  0.567395210000000,  0.253704460000000,  0.465645810000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 40    coordinates: [  0.753704460000000,  0.067395210000000,  0.534354190000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.084523820000000,  0.860884640000000,  0.127971280000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.139115360000000,  0.584523820000000,  0.377971280000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.860884640000000,  0.415476180000000,  0.377971280000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.084523820000000,  0.639115360000000,  0.622028720000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.915476180000000,  0.360884640000000,  0.622028720000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.860884640000000,  0.084523820000000,  0.372028720000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.139115360000000,  0.915476180000000,  0.372028720000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.915476180000000,  0.139115360000000,  0.127971280000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.084523820000000,  0.360884640000000,  0.122028720000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 50    coordinates: [  0.915476180000000,  0.639115360000000,  0.122028720000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 51    coordinates: [  0.860884640000000,  0.915476180000000,  0.872028720000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 52    coordinates: [  0.139115360000000,  0.084523820000000,  0.872028720000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 53    coordinates: [  0.915476180000000,  0.860884640000000,  0.627971280000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 54    coordinates: [  0.084523820000000,  0.139115360000000,  0.627971280000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 55    coordinates: [  0.139115360000000,  0.415476180000000,  0.877971280000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 56    coordinates: [  0.860884640000000,  0.584523820000000,  0.877971280000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 57    coordinates: [  0.753704460000000,  0.567395210000000,  0.715645810000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 58    coordinates: [  0.432604790000000,  0.253704460000000,  0.965645810000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 59    coordinates: [  0.567395210000000,  0.746295540000000,  0.965645810000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 60    coordinates: [  0.753704460000000,  0.932604790000000,  0.034354190000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 61    coordinates: [  0.246295540000000,  0.067395210000000,  0.034354190000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 62    coordinates: [  0.567395210000000,  0.753704460000000,  0.784354190000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 63    coordinates: [  0.432604790000000,  0.246295540000000,  0.784354190000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 64    coordinates: [  0.246295540000000,  0.432604790000000,  0.715645810000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 65    coordinates: [  0.746295540000000,  0.432604790000000,  0.034354190000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 66    coordinates: [  0.067395210000000,  0.746295540000000,  0.784354190000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 67    coordinates: [  0.932604790000000,  0.253704460000000,  0.784354190000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 68    coordinates: [  0.746295540000000,  0.067395210000000,  0.715645810000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 69    coordinates: [  0.253704460000000,  0.932604790000000,  0.715645810000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 70    coordinates: [  0.932604790000000,  0.246295540000000,  0.965645810000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 71    coordinates: [  0.067395210000000,  0.753704460000000,  0.965645810000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 72    coordinates: [  0.253704460000000,  0.567395210000000,  0.034354190000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 73    coordinates: [  0.584523820000000,  0.360884640000000,  0.627971280000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 74    coordinates: [  0.639115360000000,  0.084523820000000,  0.877971280000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 75    coordinates: [  0.360884640000000,  0.915476180000000,  0.877971280000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 76    coordinates: [  0.584523820000000,  0.139115360000000,  0.122028720000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 77    coordinates: [  0.415476180000000,  0.860884640000000,  0.122028720000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 78    coordinates: [  0.360884640000000,  0.584523820000000,  0.872028720000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 79    coordinates: [  0.639115360000000,  0.415476180000000,  0.872028720000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 80    coordinates: [  0.415476180000000,  0.639115360000000,  0.627971280000000 ]    mass: 32.065000    reduced_to: 48  - symbol: Ho # 81    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 81  - symbol: Ho # 82    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 82  - symbol: Ho # 83    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 83  - symbol: Ho # 84    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 84  - symbol: Ho # 85    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 85  - symbol: Ho # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 86  - symbol: Ho # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 87  - symbol: Ho # 88    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 88  - symbol: Ho # 89    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 81  - symbol: Ho # 90    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 82  - symbol: Ho # 91    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 83  - symbol: Ho # 92    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 84  - symbol: Ho # 93    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 85  - symbol: Ho # 94    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 86  - symbol: Ho # 95    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 87  - symbol: Ho # 96    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 88supercell:  lattice:  - [    10.542066139999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.542066139999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.774383490000002 ] # c  points:  - symbol: P  # 1    coordinates: [  0.038346290000000,  0.750000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.538346290000000,  0.750000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 3    coordinates: [  0.750000000000000,  0.538346290000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.250000000000000,  0.461653710000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.461653710000000,  0.250000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.961653710000000,  0.250000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 7    coordinates: [  0.250000000000000,  0.961653710000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.750000000000000,  0.038346290000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 9    coordinates: [  0.538346290000000,  0.250000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 10    coordinates: [  0.038346290000000,  0.250000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 11    coordinates: [  0.250000000000000,  0.038346290000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 12    coordinates: [  0.750000000000000,  0.961653710000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 13    coordinates: [  0.961653710000000,  0.750000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 14    coordinates: [  0.461653710000000,  0.750000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 15    coordinates: [  0.750000000000000,  0.461653710000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 16    coordinates: [  0.250000000000000,  0.538346290000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 8  - symbol: S  # 17    coordinates: [  0.584523820000000,  0.860884640000000,  0.622028720000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.415476180000000,  0.139115360000000,  0.622028720000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.360884640000000,  0.415476180000000,  0.372028720000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.639115360000000,  0.584523820000000,  0.372028720000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.415476180000000,  0.360884640000000,  0.127971280000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.584523820000000,  0.639115360000000,  0.127971280000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.639115360000000,  0.915476180000000,  0.377971280000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.360884640000000,  0.084523820000000,  0.377971280000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.253704460000000,  0.067395210000000,  0.215645810000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.932604790000000,  0.753704460000000,  0.465645810000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.067395210000000,  0.246295540000000,  0.465645810000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.253704460000000,  0.432604790000000,  0.534354190000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.746295540000000,  0.567395210000000,  0.534354190000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.067395210000000,  0.253704460000000,  0.284354190000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.932604790000000,  0.746295540000000,  0.284354190000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.746295540000000,  0.932604790000000,  0.215645810000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.246295540000000,  0.932604790000000,  0.534354190000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 34    coordinates: [  0.567395210000000,  0.246295540000000,  0.284354190000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 35    coordinates: [  0.432604790000000,  0.753704460000000,  0.284354190000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 36    coordinates: [  0.246295540000000,  0.567395210000000,  0.215645810000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 37    coordinates: [  0.753704460000000,  0.432604790000000,  0.215645810000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.432604790000000,  0.746295540000000,  0.465645810000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 39    coordinates: [  0.567395210000000,  0.253704460000000,  0.465645810000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 40    coordinates: [  0.753704460000000,  0.067395210000000,  0.534354190000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.084523820000000,  0.860884640000000,  0.127971280000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.139115360000000,  0.584523820000000,  0.377971280000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.860884640000000,  0.415476180000000,  0.377971280000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.084523820000000,  0.639115360000000,  0.622028720000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.915476180000000,  0.360884640000000,  0.622028720000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.860884640000000,  0.084523820000000,  0.372028720000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.139115360000000,  0.915476180000000,  0.372028720000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.915476180000000,  0.139115360000000,  0.127971280000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.084523820000000,  0.360884640000000,  0.122028720000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 50    coordinates: [  0.915476180000000,  0.639115360000000,  0.122028720000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 51    coordinates: [  0.860884640000000,  0.915476180000000,  0.872028720000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 52    coordinates: [  0.139115360000000,  0.084523820000000,  0.872028720000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 53    coordinates: [  0.915476180000000,  0.860884640000000,  0.627971280000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 54    coordinates: [  0.084523820000000,  0.139115360000000,  0.627971280000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 55    coordinates: [  0.139115360000000,  0.415476180000000,  0.877971280000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 56    coordinates: [  0.860884640000000,  0.584523820000000,  0.877971280000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 57    coordinates: [  0.753704460000000,  0.567395210000000,  0.715645810000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 58    coordinates: [  0.432604790000000,  0.253704460000000,  0.965645810000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 59    coordinates: [  0.567395210000000,  0.746295540000000,  0.965645810000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 60    coordinates: [  0.753704460000000,  0.932604790000000,  0.034354190000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 61    coordinates: [  0.246295540000000,  0.067395210000000,  0.034354190000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 62    coordinates: [  0.567395210000000,  0.753704460000000,  0.784354190000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 63    coordinates: [  0.432604790000000,  0.246295540000000,  0.784354190000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 64    coordinates: [  0.246295540000000,  0.432604790000000,  0.715645810000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 65    coordinates: [  0.746295540000000,  0.432604790000000,  0.034354190000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 66    coordinates: [  0.067395210000000,  0.746295540000000,  0.784354190000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 67    coordinates: [  0.932604790000000,  0.253704460000000,  0.784354190000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 68    coordinates: [  0.746295540000000,  0.067395210000000,  0.715645810000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 69    coordinates: [  0.253704460000000,  0.932604790000000,  0.715645810000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 70    coordinates: [  0.932604790000000,  0.246295540000000,  0.965645810000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 71    coordinates: [  0.067395210000000,  0.753704460000000,  0.965645810000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 72    coordinates: [  0.253704460000000,  0.567395210000000,  0.034354190000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 73    coordinates: [  0.584523820000000,  0.360884640000000,  0.627971280000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 74    coordinates: [  0.639115360000000,  0.084523820000000,  0.877971280000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 75    coordinates: [  0.360884640000000,  0.915476180000000,  0.877971280000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 76    coordinates: [  0.584523820000000,  0.139115360000000,  0.122028720000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 77    coordinates: [  0.415476180000000,  0.860884640000000,  0.122028720000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 78    coordinates: [  0.360884640000000,  0.584523820000000,  0.872028720000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 79    coordinates: [  0.639115360000000,  0.415476180000000,  0.872028720000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 80    coordinates: [  0.415476180000000,  0.639115360000000,  0.627971280000000 ]    mass: 32.065000    reduced_to: 48  - symbol: Ho # 81    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 81  - symbol: Ho # 82    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 82  - symbol: Ho # 83    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 83  - symbol: Ho # 84    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 84  - symbol: Ho # 85    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 85  - symbol: Ho # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 86  - symbol: Ho # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 87  - symbol: Ho # 88    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 88  - symbol: Ho # 89    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 81  - symbol: Ho # 90    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 82  - symbol: Ho # 91    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 83  - symbol: Ho # 92    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 84  - symbol: Ho # 93    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 85  - symbol: Ho # 94    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 86  - symbol: Ho # 95    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 87  - symbol: Ho # 96    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 88displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.2159021100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0025338500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0018434500000000,  0.0007426300000000, -0.0005540800000000 ]  - [  -0.0003202300000000, -0.0007460100000000, -0.0008498700000000 ]  - [   0.0011964400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007862000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016918000000000, -0.0013040700000000, -0.0017873000000000 ]  - [  -0.0005743200000000, -0.0008580800000000,  0.0003119600000000 ]  - [  -0.0000547900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000389200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003202300000000,  0.0007460100000000,  0.0008498700000000 ]  - [   0.0018434500000000, -0.0007426300000000,  0.0005540800000000 ]  - [   0.0002086100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001119000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005743200000000,  0.0008580800000000, -0.0003119600000000 ]  - [  -0.0016918000000000,  0.0013040700000000,  0.0017873000000000 ]  - [  -0.0002809600000000,  0.0001645800000000, -0.0001398600000000 ]  - [  -0.0002791900000000, -0.0001937200000000, -0.0001355200000000 ]  - [   0.0008570200000000, -0.0024988100000000,  0.0001148500000000 ]  - [  -0.0012000100000000,  0.0004965500000000,  0.0000460900000000 ]  - [  -0.0002791900000000,  0.0001937200000000,  0.0001355200000000 ]  - [  -0.0002809600000000, -0.0001645800000000,  0.0001398600000000 ]  - [  -0.0012000100000000, -0.0004965500000000, -0.0000460900000000 ]  - [   0.0008570200000000,  0.0024988100000000, -0.0001148500000000 ]  - [   0.0000438400000000,  0.0005254400000000,  0.0010296700000000 ]  - [   0.0592104000000000, -0.0035138400000000, -0.0589039600000000 ]  - [   0.0009602400000000,  0.0002705500000000, -0.0010866800000000 ]  - [   0.0000438400000000, -0.0005254400000000, -0.0010296700000000 ]  - [   0.0005608500000000,  0.0004106200000000, -0.0008105200000000 ]  - [   0.0009602400000000, -0.0002705500000000,  0.0010866800000000 ]  - [   0.0592104000000000,  0.0035138400000000,  0.0589039600000000 ]  - [   0.0005608500000000, -0.0004106200000000,  0.0008105200000000 ]  - [   0.0007520400000000, -0.0004819300000000, -0.0000043400000000 ]  - [   0.0000950300000000,  0.0000717900000000, -0.0000626400000000 ]  - [  -0.0010378200000000, -0.0000863400000000, -0.0002747100000000 ]  - [   0.0007520400000000,  0.0004819300000000,  0.0000043400000000 ]  - [  -0.0001931800000000, -0.0004853000000000, -0.0000121800000000 ]  - [  -0.0010378200000000,  0.0000863400000000,  0.0002747100000000 ]  - [   0.0000950300000000, -0.0000717900000000,  0.0000626400000000 ]  - [  -0.0001931800000000,  0.0004853000000000,  0.0000121800000000 ]  - [   0.0013106000000000,  0.0011577100000000, -0.0003659000000000 ]  - [   0.0551358700000000, -0.0511894200000000,  0.0012234500000000 ]  - [   0.0034777500000000,  0.0012550500000000, -0.0001746300000000 ]  - [   0.0013106000000000, -0.0011577100000000,  0.0003659000000000 ]  - [   0.0001850900000000,  0.0004208800000000, -0.0007662500000000 ]  - [   0.0034777500000000, -0.0012550500000000,  0.0001746300000000 ]  - [   0.0551358700000000,  0.0511894200000000, -0.0012234500000000 ]  - [   0.0001850900000000, -0.0004208800000000,  0.0007662500000000 ]  - [   0.0004134900000000,  0.0000050700000000,  0.0002180500000000 ]  - [  -0.0009540700000000, -0.0014606900000000, -0.0011056000000000 ]  - [   0.0000951200000000, -0.0001124100000000,  0.0001097500000000 ]  - [  -0.0000069900000000,  0.0001608800000000,  0.0002173700000000 ]  - [  -0.0009540700000000,  0.0014606900000000,  0.0011056000000000 ]  - [   0.0004134900000000, -0.0000050700000000, -0.0002180500000000 ]  - [  -0.0000069900000000, -0.0001608800000000, -0.0002173700000000 ]  - [   0.0000951200000000,  0.0001124100000000, -0.0001097500000000 ]  - [  -0.0000904400000000, -0.0001077800000000,  0.0000609100000000 ]  - [  -0.0000854600000000, -0.0001144800000000, -0.0000109600000000 ]  - [   0.0000559500000000,  0.0001059700000000,  0.0000636700000000 ]  - [  -0.0000904400000000,  0.0001077800000000, -0.0000609100000000 ]  - [   0.0006098300000000,  0.0005411800000000,  0.0001301000000000 ]  - [   0.0000559500000000, -0.0001059700000000, -0.0000636700000000 ]  - [  -0.0000854600000000,  0.0001144800000000,  0.0000109600000000 ]  - [   0.0006098300000000, -0.0005411800000000, -0.0001301000000000 ]  - [  -0.0005308600000000, -0.0004875300000000, -0.0002155100000000 ]  - [   0.0000497100000000, -0.0000121800000000, -0.0000822200000000 ]  - [  -0.0001115700000000, -0.0001537500000000, -0.0000597000000000 ]  - [  -0.0005308600000000,  0.0004875300000000,  0.0002155100000000 ]  - [   0.0000247100000000, -0.0001030700000000, -0.0005138600000000 ]  - [  -0.0001115700000000,  0.0001537500000000,  0.0000597000000000 ]  - [   0.0000497100000000,  0.0000121800000000,  0.0000822200000000 ]  - [   0.0000247100000000,  0.0001030700000000,  0.0005138600000000 ]  - [  -0.0000961500000000, -0.0000901900000000,  0.0000214100000000 ]  - [  -0.0001142000000000,  0.0000734900000000, -0.0000375900000000 ]  - [   0.0000496300000000, -0.0000960400000000, -0.0001434800000000 ]  - [  -0.0000961500000000,  0.0000901900000000, -0.0000214100000000 ]  - [   0.0000166000000000,  0.0001575500000000,  0.0004162600000000 ]  - [   0.0000496300000000,  0.0000960400000000,  0.0001434800000000 ]  - [  -0.0001142000000000, -0.0000734900000000,  0.0000375900000000 ]  - [   0.0000166000000000, -0.0001575500000000, -0.0004162600000000 ]  - [   0.0010371400000000, -0.0002547000000000,  0.0004468900000000 ]  - [  -0.0067599700000000,  0.0076538800000000, -0.0049237000000000 ]  - [   0.0010371400000000,  0.0002547000000000, -0.0004468900000000 ]  - [  -0.0067599700000000, -0.0076538800000000,  0.0049237000000000 ]  - [   0.0008354100000000, -0.0002372800000000, -0.0003573400000000 ]  - [   0.0008354100000000,  0.0002372800000000,  0.0003573400000000 ]  - [  -0.0068828400000000,  0.0070169700000000,  0.0065466200000000 ]  - [  -0.0068828400000000, -0.0070169700000000, -0.0065466200000000 ]  - [   0.0002868200000000, -0.0004198300000000,  0.0000703100000000 ]  - [   0.0003704500000000,  0.0000997300000000,  0.0001027100000000 ]  - [   0.0002868200000000,  0.0004198300000000, -0.0000703100000000 ]  - [   0.0003704500000000, -0.0000997300000000, -0.0001027100000000 ]  - [  -0.0007895000000000, -0.0004010800000000, -0.0003554600000000 ]  - [  -0.0007895000000000,  0.0004010800000000,  0.0003554600000000 ]  - [   0.0000492100000000,  0.0001344100000000, -0.0000944700000000 ]  - [   0.0000492100000000, -0.0001344100000000,  0.0000944700000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.2160478400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0027326100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0018362000000000, -0.0009444900000000,  0.0005581100000000 ]  - [   0.0003219600000000,  0.0009411700000000,  0.0008444500000000 ]  - [  -0.0009680700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010393000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0017024200000000,  0.0015113700000000,  0.0017954500000000 ]  - [   0.0005642300000000,  0.0006555200000000, -0.0003176700000000 ]  - [  -0.0001537200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002346100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003219600000000, -0.0009411700000000, -0.0008444500000000 ]  - [  -0.0018362000000000,  0.0009444900000000, -0.0005581100000000 ]  - [  -0.0000130100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000896700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005642300000000, -0.0006555200000000,  0.0003176700000000 ]  - [   0.0017024200000000, -0.0015113700000000, -0.0017954500000000 ]  - [   0.0005115300000000,  0.0000364800000000,  0.0003120100000000 ]  - [   0.0000442200000000, -0.0000038800000000,  0.0003069600000000 ]  - [  -0.0006650300000000,  0.0022673500000000,  0.0000629200000000 ]  - [   0.0010058700000000, -0.0002603800000000,  0.0001295600000000 ]  - [   0.0000442200000000,  0.0000038800000000, -0.0003069600000000 ]  - [   0.0005115300000000, -0.0000364800000000, -0.0003120100000000 ]  - [   0.0010058700000000,  0.0002603800000000, -0.0001295600000000 ]  - [  -0.0006650300000000, -0.0022673500000000, -0.0000629200000000 ]  - [  -0.0002315500000000, -0.0003998000000000, -0.0009166700000000 ]  - [  -0.0601096200000000,  0.0033751900000000,  0.0609132200000000 ]  - [  -0.0008375600000000, -0.0000863200000000,  0.0011965200000000 ]  - [  -0.0002315500000000,  0.0003998000000000,  0.0009166700000000 ]  - [  -0.0003815300000000, -0.0002736300000000,  0.0006933200000000 ]  - [  -0.0008375600000000,  0.0000863200000000, -0.0011965200000000 ]  - [  -0.0601096200000000, -0.0033751900000000, -0.0609132200000000 ]  - [  -0.0003815300000000,  0.0002736300000000, -0.0006933200000000 ]  - [  -0.0005751300000000,  0.0003440400000000, -0.0001245200000000 ]  - [   0.0000377300000000,  0.0001128000000000, -0.0000468100000000 ]  - [   0.0008987900000000, -0.0000993400000000,  0.0001662000000000 ]  - [  -0.0005751300000000, -0.0003440400000000,  0.0001245200000000 ]  - [   0.0000060300000000,  0.0003520200000000,  0.0001216200000000 ]  - [   0.0008987900000000,  0.0000993400000000, -0.0001662000000000 ]  - [   0.0000377300000000, -0.0001128000000000,  0.0000468100000000 ]  - [   0.0000060300000000, -0.0003520200000000, -0.0001216200000000 ]  - [  -0.0010867400000000, -0.0009692200000000,  0.0002041300000000 ]  - [  -0.0547758300000000,  0.0497803800000000, -0.0013456700000000 ]  - [  -0.0032620500000000, -0.0014606800000000, -0.0000010500000000 ]  - [  -0.0010867400000000,  0.0009692200000000, -0.0002041300000000 ]  - [  -0.0004149400000000, -0.0002191200000000,  0.0009378600000000 ]  - [  -0.0032620500000000,  0.0014606800000000,  0.0000010500000000 ]  - [  -0.0547758300000000, -0.0497803800000000,  0.0013456700000000 ]  - [  -0.0004149400000000,  0.0002191200000000, -0.0009378600000000 ]  - [  -0.0001812700000000,  0.0001931500000000, -0.0000350900000000 ]  - [   0.0007281400000000,  0.0012549300000000,  0.0012691800000000 ]  - [   0.0001014700000000, -0.0001186800000000,  0.0000683300000000 ]  - [  -0.0001879500000000,  0.0000677700000000, -0.0000404300000000 ]  - [   0.0007281400000000, -0.0012549300000000, -0.0012691800000000 ]  - [  -0.0001812700000000, -0.0001931500000000,  0.0000350900000000 ]  - [  -0.0001879500000000, -0.0000677700000000,  0.0000404300000000 ]  - [   0.0001014700000000,  0.0001186800000000, -0.0000683300000000 ]  - [  -0.0000944200000000,  0.0002321400000000,  0.0000435100000000 ]  - [  -0.0000532300000000, -0.0000717200000000,  0.0001226700000000 ]  - [   0.0000824700000000,  0.0000813900000000,  0.0000520200000000 ]  - [  -0.0000944200000000, -0.0002321400000000, -0.0000435100000000 ]  - [  -0.0004251300000000, -0.0004065200000000, -0.0002410800000000 ]  - [   0.0000824700000000, -0.0000813900000000, -0.0000520200000000 ]  - [  -0.0000532300000000,  0.0000717200000000, -0.0001226700000000 ]  - [  -0.0004251300000000,  0.0004065200000000,  0.0002410800000000 ]  - [   0.0007131200000000,  0.0003471300000000,  0.0001077200000000 ]  - [   0.0000891300000000,  0.0001952700000000, -0.0000334400000000 ]  - [  -0.0000276600000000, -0.0000285500000000, -0.0000586700000000 ]  - [   0.0007131200000000, -0.0003471300000000, -0.0001077200000000 ]  - [  -0.0002087200000000, -0.0000371100000000,  0.0006259600000000 ]  - [  -0.0000276600000000,  0.0000285500000000,  0.0000586700000000 ]  - [   0.0000891300000000, -0.0001952700000000,  0.0000334400000000 ]  - [  -0.0002087200000000,  0.0000371100000000, -0.0006259600000000 ]  - [   0.0003346100000000,  0.0002902100000000, -0.0001958300000000 ]  - [  -0.0000812300000000,  0.0001526300000000, -0.0001377500000000 ]  - [   0.0001451200000000, -0.0001310400000000, -0.0000313600000000 ]  - [   0.0003346100000000, -0.0002902100000000,  0.0001958300000000 ]  - [  -0.0002495600000000,  0.0000428400000000, -0.0002368500000000 ]  - [   0.0001451200000000,  0.0001310400000000,  0.0000313600000000 ]  - [  -0.0000812300000000, -0.0001526300000000,  0.0001377500000000 ]  - [  -0.0002495600000000, -0.0000428400000000,  0.0002368500000000 ]  - [  -0.0010369500000000,  0.0002386700000000, -0.0004457700000000 ]  - [   0.0067574600000000, -0.0076440300000000,  0.0049311200000000 ]  - [  -0.0010369500000000, -0.0002386700000000,  0.0004457700000000 ]  - [   0.0067574600000000,  0.0076440300000000, -0.0049311200000000 ]  - [  -0.0008319800000000,  0.0002228200000000,  0.0003583000000000 ]  - [  -0.0008319800000000, -0.0002228200000000, -0.0003583000000000 ]  - [   0.0068936700000000, -0.0070137300000000, -0.0065543700000000 ]  - [   0.0068936700000000,  0.0070137300000000,  0.0065543700000000 ]  - [  -0.0002927200000000,  0.0004210200000000, -0.0000715000000000 ]  - [  -0.0003681100000000, -0.0000983500000000, -0.0001049300000000 ]  - [  -0.0002927200000000, -0.0004210200000000,  0.0000715000000000 ]  - [  -0.0003681100000000,  0.0000983500000000,  0.0001049300000000 ]  - [   0.0007852800000000,  0.0003986800000000,  0.0003511000000000 ]  - [   0.0007852800000000, -0.0003986800000000, -0.0003511000000000 ]  - [  -0.0000455200000000, -0.0001337700000000,  0.0000996400000000 ]  - [  -0.0000455200000000,  0.0001337700000000, -0.0000996400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0034365900000000, -0.2422834900000000,  0.0018094900000000 ]  - [  -0.0000884400000000, -0.0003195700000000,  0.0003192200000000 ]  - [  -0.0005088100000000, -0.0004239800000000,  0.0003222100000000 ]  - [   0.0005139200000000,  0.0019335600000000,  0.0014879300000000 ]  - [   0.0001338100000000,  0.0032578400000000, -0.0006064600000000 ]  - [   0.0001207900000000,  0.0066432500000000,  0.0001926900000000 ]  - [  -0.0000141200000000, -0.0015995000000000, -0.0019945400000000 ]  - [  -0.0016754800000000, -0.0006722200000000,  0.0009063000000000 ]  - [  -0.0001057400000000,  0.0000376400000000,  0.0001478100000000 ]  - [  -0.0001009100000000,  0.0002090300000000, -0.0000076400000000 ]  - [  -0.0005152600000000,  0.0017462800000000,  0.0014963500000000 ]  - [   0.0005179700000000, -0.0002175300000000,  0.0003154800000000 ]  - [   0.0001012900000000,  0.0000006300000000,  0.0000210400000000 ]  - [   0.0001037900000000, -0.0003479800000000,  0.0000028900000000 ]  - [   0.0016662700000000, -0.0004677000000000,  0.0009094600000000 ]  - [   0.0000084000000000, -0.0017936000000000, -0.0019838100000000 ]  - [   0.0000298800000000,  0.0002209900000000, -0.0000282100000000 ]  - [  -0.0006236500000000, -0.0006850300000000, -0.0003182000000000 ]  - [  -0.0033722400000000,  0.0007094500000000,  0.0006986500000000 ]  - [   0.0001130600000000,  0.0005613600000000,  0.0001101100000000 ]  - [   0.0003920700000000, -0.0004848200000000, -0.0004912900000000 ]  - [   0.0001950100000000,  0.0000186600000000, -0.0002019000000000 ]  - [  -0.0003201500000000,  0.0003297400000000, -0.0000655000000000 ]  - [   0.0035455200000000,  0.0009244700000000,  0.0005189000000000 ]  - [  -0.0014410000000000,  0.0004816900000000,  0.0017706300000000 ]  - [  -0.0027786400000000,  0.0222521400000000,  0.0013884300000000 ]  - [   0.0001167100000000, -0.0027593900000000,  0.0001274000000000 ]  - [   0.0012476000000000,  0.0003570700000000,  0.0016382000000000 ]  - [   0.0000205800000000,  0.0015355800000000, -0.0013012500000000 ]  - [   0.0000102300000000, -0.0029443800000000,  0.0000266300000000 ]  - [   0.0029719000000000,  0.0224524900000000,  0.0017301700000000 ]  - [   0.0001780500000000,  0.0013914900000000, -0.0011856500000000 ]  - [   0.0005302800000000, -0.0017622900000000, -0.0001395300000000 ]  - [   0.0002503700000000, -0.0016986900000000, -0.0000546700000000 ]  - [  -0.0002221500000000,  0.0010521300000000, -0.0001493200000000 ]  - [  -0.0003501800000000, -0.0016142100000000,  0.0000018800000000 ]  - [  -0.0008518200000000,  0.0002819000000000,  0.0001504800000000 ]  - [   0.0000681900000000,  0.0012347700000000, -0.0000436000000000 ]  - [  -0.0001131300000000, -0.0018794900000000,  0.0000671300000000 ]  - [   0.0006654800000000,  0.0004154200000000,  0.0000443100000000 ]  - [   0.0002171400000000,  0.0006472800000000,  0.0005699800000000 ]  - [  -0.0518567400000000,  0.0914254500000000, -0.0029563200000000 ]  - [  -0.0009959600000000, -0.0044961800000000, -0.0000548700000000 ]  - [   0.0000136700000000,  0.0004436500000000,  0.0007451600000000 ]  - [  -0.0009482600000000, -0.0004925400000000,  0.0016270200000000 ]  - [   0.0012162700000000, -0.0042873500000000,  0.0001230000000000 ]  - [   0.0547235500000000,  0.0955404200000000, -0.0029349200000000 ]  - [   0.0007233600000000, -0.0006973900000000,  0.0014569800000000 ]  - [   0.0002366900000000, -0.0001263000000000, -0.0005751800000000 ]  - [  -0.0003633800000000,  0.0007391100000000,  0.0012326100000000 ]  - [   0.0000922700000000, -0.0000173500000000,  0.0000505600000000 ]  - [   0.0000570900000000, -0.0000253700000000,  0.0001821800000000 ]  - [   0.0001378600000000,  0.0009464200000000,  0.0010589800000000 ]  - [  -0.0000074300000000, -0.0003270200000000, -0.0007583400000000 ]  - [  -0.0002526900000000, -0.0002485600000000,  0.0000053200000000 ]  - [   0.0001054300000000,  0.0002079100000000, -0.0001274400000000 ]  - [  -0.0002641400000000,  0.0001422000000000,  0.0000025600000000 ]  - [  -0.0000040400000000, -0.0001305300000000, -0.0000595000000000 ]  - [   0.0000550100000000,  0.0002545100000000,  0.0000488600000000 ]  - [   0.0000801100000000,  0.0000183800000000, -0.0001028600000000 ]  - [   0.0001251500000000,  0.0002217800000000,  0.0006068200000000 ]  - [   0.0000806200000000,  0.0000678400000000, -0.0000660200000000 ]  - [  -0.0001310400000000,  0.0000548600000000, -0.0001696600000000 ]  - [   0.0000630800000000,  0.0000857200000000,  0.0007147900000000 ]  - [   0.0002764000000000,  0.0000198400000000, -0.0001224700000000 ]  - [   0.0000447300000000,  0.0001361700000000, -0.0000087600000000 ]  - [  -0.0000070200000000, -0.0002163200000000, -0.0000673800000000 ]  - [  -0.0000947100000000,  0.0001576000000000, -0.0000127700000000 ]  - [  -0.0000073400000000, -0.0001337000000000, -0.0010657800000000 ]  - [  -0.0001289600000000, -0.0000333800000000,  0.0000497100000000 ]  - [   0.0000912200000000, -0.0000468000000000,  0.0001062900000000 ]  - [  -0.0001763600000000,  0.0000055900000000, -0.0011725300000000 ]  - [   0.0004505200000000,  0.0005258500000000, -0.0007428300000000 ]  - [  -0.0000864200000000,  0.0000259500000000, -0.0001422800000000 ]  - [  -0.0000405100000000,  0.0000232300000000, -0.0002347000000000 ]  - [  -0.0002205600000000,  0.0003238100000000, -0.0005707700000000 ]  - [  -0.0004011000000000,  0.0003015700000000,  0.0003540800000000 ]  - [   0.0002364500000000,  0.0002454900000000, -0.0000582500000000 ]  - [  -0.0001108200000000, -0.0001963100000000,  0.0000338100000000 ]  - [   0.0001729700000000,  0.0000998100000000,  0.0001733000000000 ]  - [  -0.0021071100000000, -0.0001574200000000, -0.0005684600000000 ]  - [   0.0074756100000000,  0.0030192400000000,  0.0111406000000000 ]  - [   0.0021155600000000, -0.0001385100000000, -0.0005643000000000 ]  - [  -0.0075371800000000,  0.0029967400000000,  0.0112227200000000 ]  - [  -0.0014539700000000, -0.0003127800000000,  0.0001030600000000 ]  - [   0.0014631500000000, -0.0002945500000000,  0.0000971400000000 ]  - [   0.0071432400000000,  0.0040066100000000, -0.0132577400000000 ]  - [  -0.0071830100000000,  0.0040051900000000, -0.0133467400000000 ]  - [  -0.0001751900000000, -0.0001296200000000, -0.0002985100000000 ]  - [   0.0004749900000000, -0.0000417400000000,  0.0003143400000000 ]  - [   0.0001728000000000, -0.0001265700000000, -0.0002988800000000 ]  - [  -0.0004716500000000, -0.0000452400000000,  0.0003174100000000 ]  - [  -0.0006721300000000, -0.0002299200000000,  0.0001433800000000 ]  - [   0.0006653500000000, -0.0002292800000000,  0.0001448800000000 ]  - [   0.0003206300000000,  0.0002003000000000,  0.0000424500000000 ]  - [  -0.0003160700000000,  0.0001985400000000,  0.0000380500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0034435300000000,  0.0018067300000000, -0.2487539800000000 ]  - [  -0.0001190900000000, -0.0003142300000000, -0.0017798900000000 ]  - [   0.0014922700000000,  0.0007406000000000,  0.0014425400000000 ]  - [  -0.0003164200000000, -0.0004525600000000,  0.0014340800000000 ]  - [   0.0001168300000000, -0.0006049200000000, -0.0021841400000000 ]  - [   0.0001091900000000, -0.0001910800000000, -0.0022020600000000 ]  - [  -0.0019804300000000, -0.0016796300000000, -0.0007742300000000 ]  - [  -0.0009117500000000, -0.0004149700000000,  0.0028671900000000 ]  - [  -0.0001083000000000,  0.0001418800000000,  0.0012631800000000 ]  - [  -0.0001046400000000,  0.0000089400000000,  0.0012956700000000 ]  - [   0.0003159500000000, -0.0006593200000000,  0.0014407200000000 ]  - [  -0.0014943100000000,  0.0009543400000000,  0.0014366800000000 ]  - [   0.0001033700000000,  0.0000159100000000,  0.0013266700000000 ]  - [   0.0001068100000000, -0.0000015700000000,  0.0011227100000000 ]  - [   0.0009127400000000, -0.0002153200000000,  0.0028801500000000 ]  - [   0.0019983200000000, -0.0019022300000000, -0.0007859700000000 ]  - [   0.0006395400000000, -0.0000570500000000, -0.0002167900000000 ]  - [  -0.0004141300000000, -0.0002181600000000, -0.0003210900000000 ]  - [   0.0001962600000000,  0.0000387600000000,  0.0014936700000000 ]  - [  -0.0003399100000000,  0.0001642300000000,  0.0017587200000000 ]  - [   0.0001863600000000, -0.0000127000000000, -0.0004966600000000 ]  - [  -0.0004135000000000, -0.0002639900000000, -0.0003941900000000 ]  - [   0.0001608600000000, -0.0000664700000000,  0.0015827400000000 ]  - [  -0.0000091100000000,  0.0002466800000000,  0.0013108400000000 ]  - [   0.0004734200000000,  0.0004955500000000,  0.0010383700000000 ]  - [  -0.0611276400000000,  0.0003905000000000,  0.1006367200000000 ]  - [   0.0000505500000000, -0.0002779000000000,  0.0024939400000000 ]  - [  -0.0006630800000000,  0.0003759600000000,  0.0009318900000000 ]  - [  -0.0010380000000000,  0.0000292400000000, -0.0014374200000000 ]  - [   0.0000699000000000, -0.0004616300000000,  0.0023817600000000 ]  - [   0.0577117500000000,  0.0004387500000000,  0.0963305100000000 ]  - [   0.0012266400000000, -0.0001157300000000, -0.0013122200000000 ]  - [  -0.0010837600000000,  0.0004017600000000, -0.0007278800000000 ]  - [   0.0000377800000000,  0.0004166500000000,  0.0004716800000000 ]  - [  -0.0000893900000000, -0.0001709500000000,  0.0008056200000000 ]  - [   0.0012595200000000,  0.0005350300000000, -0.0005983300000000 ]  - [  -0.0016637300000000, -0.0010240100000000, -0.0009202300000000 ]  - [  -0.0000336100000000,  0.0000134300000000,  0.0009082500000000 ]  - [   0.0000941300000000,  0.0002341900000000,  0.0005833300000000 ]  - [   0.0014794600000000, -0.0009021400000000, -0.0010282800000000 ]  - [   0.0014102800000000,  0.0011909000000000, -0.0012660800000000 ]  - [   0.0011959700000000, -0.0023137300000000,  0.0223081000000000 ]  - [   0.0002415300000000,  0.0000628900000000,  0.0014184500000000 ]  - [  -0.0011994700000000,  0.0010019600000000, -0.0011017300000000 ]  - [  -0.0001008700000000,  0.0001703900000000, -0.0007178300000000 ]  - [  -0.0000412500000000,  0.0002818200000000,  0.0015958500000000 ]  - [  -0.0016894700000000, -0.0029816000000000,  0.0225208100000000 ]  - [  -0.0001265900000000, -0.0000368600000000, -0.0009011300000000 ]  - [   0.0006054000000000, -0.0000864900000000, -0.0008183900000000 ]  - [  -0.0005746900000000, -0.0002756200000000, -0.0002212700000000 ]  - [   0.0001842400000000, -0.0001263200000000, -0.0007259700000000 ]  - [  -0.0001592500000000,  0.0000641600000000, -0.0006986700000000 ]  - [   0.0003629700000000, -0.0000678000000000, -0.0003906600000000 ]  - [  -0.0003801500000000, -0.0002932400000000, -0.0010029400000000 ]  - [  -0.0000439500000000, -0.0001572700000000, -0.0008775800000000 ]  - [   0.0000202900000000,  0.0000971900000000, -0.0009067700000000 ]  - [  -0.0000448500000000,  0.0000099700000000, -0.0005539300000000 ]  - [   0.0001529900000000, -0.0001283600000000, -0.0006508500000000 ]  - [  -0.0001061800000000,  0.0001097900000000, -0.0004639200000000 ]  - [  -0.0001395100000000, -0.0001123400000000, -0.0006552900000000 ]  - [   0.0006439500000000,  0.0007389700000000, -0.0003581200000000 ]  - [   0.0002376100000000, -0.0000766900000000, -0.0005730500000000 ]  - [  -0.0002848700000000,  0.0000574100000000, -0.0007568200000000 ]  - [  -0.0004619600000000,  0.0006127900000000, -0.0002527000000000 ]  - [  -0.0002565300000000, -0.0004177100000000, -0.0006074300000000 ]  - [   0.0002930200000000,  0.0001346600000000, -0.0007478400000000 ]  - [  -0.0002585100000000, -0.0000102700000000, -0.0006658400000000 ]  - [   0.0004420000000000, -0.0002863600000000, -0.0005037700000000 ]  - [  -0.0002422200000000,  0.0001245500000000,  0.0000228000000000 ]  - [   0.0001266900000000,  0.0001719800000000, -0.0005546100000000 ]  - [  -0.0001602700000000, -0.0000486800000000, -0.0006382700000000 ]  - [   0.0000577400000000,  0.0002588200000000, -0.0000852500000000 ]  - [   0.0013203400000000,  0.0008353900000000, -0.0012593900000000 ]  - [  -0.0000999000000000,  0.0001830700000000, -0.0007929300000000 ]  - [   0.0000957300000000, -0.0001598100000000, -0.0007286600000000 ]  - [  -0.0010927100000000,  0.0006267400000000, -0.0010832800000000 ]  - [   0.0001954500000000,  0.0002136800000000,  0.0000898300000000 ]  - [   0.0001077000000000,  0.0000606600000000, -0.0005507500000000 ]  - [  -0.0001034000000000, -0.0000377800000000, -0.0006140800000000 ]  - [  -0.0004231400000000,  0.0000069200000000, -0.0000898300000000 ]  - [  -0.0012174200000000, -0.0001049500000000, -0.0017580200000000 ]  - [  -0.0049489000000000,  0.0154545600000000,  0.0014641700000000 ]  - [   0.0012096100000000, -0.0000931400000000, -0.0017551400000000 ]  - [   0.0049583800000000,  0.0155330900000000,  0.0014469000000000 ]  - [   0.0006453300000000,  0.0000078600000000, -0.0017139500000000 ]  - [  -0.0006482100000000,  0.0000197000000000, -0.0017191200000000 ]  - [   0.0038948800000000, -0.0139066300000000,  0.0004590900000000 ]  - [  -0.0038694300000000, -0.0138173700000000,  0.0004876200000000 ]  - [   0.0001426900000000, -0.0002903500000000,  0.0017286400000000 ]  - [  -0.0002662600000000, -0.0000500700000000,  0.0011769600000000 ]  - [  -0.0001484200000000, -0.0002948400000000,  0.0017313600000000 ]  - [   0.0002670500000000, -0.0000509700000000,  0.0011806400000000 ]  - [   0.0004665200000000,  0.0001730100000000,  0.0018831300000000 ]  - [  -0.0004673200000000,  0.0001712400000000,  0.0018845400000000 ]  - [   0.0001728300000000,  0.0002044500000000,  0.0015311700000000 ]  - [  -0.0001698100000000,  0.0002041100000000,  0.0015275500000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0004995100000000, -0.0000818800000000,  0.0005258100000000 ]  - [   0.0010984200000000,  0.0000993900000000, -0.0013042100000000 ]  - [   0.0001343700000000, -0.0001232400000000, -0.0000468500000000 ]  - [  -0.0000858600000000,  0.0001422000000000, -0.0000697900000000 ]  - [   0.0004119800000000,  0.0008456200000000, -0.0000090700000000 ]  - [  -0.0000601600000000, -0.0005119300000000,  0.0003064900000000 ]  - [  -0.0001355300000000,  0.0000569900000000, -0.0000449700000000 ]  - [   0.0000932500000000, -0.0001071500000000,  0.0000104400000000 ]  - [   0.0001941700000000,  0.0001142300000000,  0.0004942100000000 ]  - [  -0.0003147700000000,  0.0003364300000000, -0.0012065300000000 ]  - [  -0.0044030500000000, -0.0014731600000000,  0.0001704100000000 ]  - [   0.0955983600000000,  0.0521779200000000,  0.0027281000000000 ]  - [   0.0002354700000000,  0.0002846700000000, -0.0003109100000000 ]  - [  -0.0007472500000000, -0.0002447700000000,  0.0004716200000000 ]  - [   0.0004482600000000, -0.0002811800000000,  0.0000492000000000 ]  - [   0.0007860400000000,  0.0022474400000000, -0.0001458400000000 ]  - [  -0.1300987000000000, -0.0641663100000000, -0.0065451100000000 ]  - [   0.0051602100000000, -0.0065872700000000,  0.0000777500000000 ]  - [   0.0000147500000000, -0.0000992400000000, -0.0000367200000000 ]  - [  -0.0002407800000000,  0.0002603600000000,  0.0002232600000000 ]  - [  -0.0000347400000000,  0.0000751800000000, -0.0000709600000000 ]  - [   0.0000188000000000, -0.0000236300000000, -0.0001059600000000 ]  - [  -0.0004369000000000,  0.0000065900000000,  0.0005491200000000 ]  - [   0.0008405600000000, -0.0005140400000000,  0.0012602300000000 ]  - [  -0.0000007200000000,  0.0001242800000000,  0.0000908000000000 ]  - [   0.0002103400000000, -0.0001509900000000, -0.0000417300000000 ]  - [   0.0003069200000000,  0.0005915800000000, -0.0001646500000000 ]  - [   0.0005742300000000, -0.0000088600000000,  0.0002915700000000 ]  - [  -0.0002271400000000, -0.0003229400000000, -0.0002100800000000 ]  - [   0.0001754900000000,  0.0000530500000000, -0.0001815800000000 ]  - [  -0.0000429000000000,  0.0000827500000000, -0.0002494500000000 ]  - [  -0.0000273500000000, -0.0000995000000000,  0.0000467900000000 ]  - [   0.0023452600000000, -0.0001429100000000,  0.0002816500000000 ]  - [  -0.0000493800000000, -0.0000058200000000,  0.0000342400000000 ]  - [  -0.0002064700000000, -0.0001706100000000,  0.0003723000000000 ]  - [   0.0001576800000000,  0.0000598900000000,  0.0000660900000000 ]  - [  -0.0001748900000000, -0.0000538500000000,  0.0000763500000000 ]  - [  -0.0003182800000000,  0.0015328200000000,  0.0024283800000000 ]  - [  -0.0001921500000000, -0.0011889100000000,  0.0000351400000000 ]  - [   0.0046598600000000,  0.0073826700000000, -0.0040527700000000 ]  - [   0.0002215600000000,  0.0001250700000000, -0.0000956100000000 ]  - [   0.0000911800000000, -0.0000212700000000, -0.0002361400000000 ]  - [   0.0000955400000000,  0.0000216100000000, -0.0001828700000000 ]  - [   0.0009224400000000, -0.0004475100000000,  0.0000945500000000 ]  - [  -0.0003389500000000,  0.0002800200000000,  0.0000915500000000 ]  - [   0.0003794500000000,  0.0001890000000000, -0.0005224500000000 ]  - [   0.0000182000000000, -0.0002030400000000, -0.0001271700000000 ]  - [  -0.0001980800000000, -0.0001349400000000, -0.0000669800000000 ]  - [   0.0001714800000000,  0.0001168400000000,  0.0001037900000000 ]  - [  -0.0001838800000000, -0.0001246600000000,  0.0000966700000000 ]  - [   0.0001879800000000, -0.0002605900000000,  0.0004140300000000 ]  - [   0.0001330800000000,  0.0000936800000000,  0.0005574100000000 ]  - [   0.0117452100000000,  0.0039469100000000,  0.0006883600000000 ]  - [   0.0020608000000000,  0.0009884900000000, -0.0001865500000000 ]  - [   0.0002120700000000,  0.0002682100000000,  0.0002966500000000 ]  - [   0.0000693800000000,  0.0000498600000000, -0.0000433300000000 ]  - [  -0.0004202900000000, -0.0002476400000000,  0.0000978100000000 ]  - [  -0.0000804500000000, -0.0001063000000000, -0.0000556600000000 ]  - [   0.0000908000000000,  0.0001162200000000, -0.0004062500000000 ]  - [  -0.0001638000000000, -0.0000297000000000, -0.0000575400000000 ]  - [   0.0002006000000000,  0.0000328100000000, -0.0000242300000000 ]  - [   0.0007078500000000,  0.0009769700000000, -0.0008688200000000 ]  - [  -0.0002075500000000, -0.0007877100000000, -0.0000362100000000 ]  - [   0.0010261400000000,  0.0002457900000000, -0.0004041700000000 ]  - [   0.0000107800000000, -0.0000581400000000, -0.0000316100000000 ]  - [  -0.0000133100000000, -0.0002476500000000,  0.0001807200000000 ]  - [   0.0006481100000000,  0.0001210900000000,  0.0008912600000000 ]  - [   0.0029922900000000,  0.0059833700000000,  0.0038529800000000 ]  - [   0.0021243900000000, -0.0000330900000000, -0.0004183600000000 ]  - [  -0.0000737500000000,  0.0000913700000000,  0.0002357600000000 ]  - [   0.0001235800000000, -0.0001411400000000,  0.0002368200000000 ]  - [  -0.0000176300000000,  0.0000561500000000,  0.0000042200000000 ]  - [   0.0002086800000000,  0.0002866600000000, -0.0001336300000000 ]  - [  -0.0006665300000000, -0.0001558100000000, -0.0007466400000000 ]  - [   0.0001622600000000,  0.0001590000000000, -0.0005040900000000 ]  - [   0.0000316100000000, -0.0000883200000000,  0.0000974300000000 ]  - [  -0.0000214900000000, -0.0000072600000000,  0.0001417800000000 ]  - [   0.0001715900000000,  0.0001884100000000,  0.0000900300000000 ]  - [  -0.0002236300000000, -0.0001970800000000,  0.0000394300000000 ]  - [   0.0008345700000000,  0.0003427500000000,  0.0002593800000000 ]  - [   0.0002815700000000, -0.0007172700000000,  0.0003622600000000 ]  - [   0.0000184500000000, -0.0000181600000000,  0.0001250000000000 ]  - [   0.0001738400000000,  0.0000375900000000, -0.0003441800000000 ]  - [  -0.0029008400000000, -0.0004696800000000,  0.0023274300000000 ]  - [  -0.0000494200000000, -0.0001096700000000, -0.0001457300000000 ]  - [   0.0031928800000000, -0.0003768700000000, -0.0003861500000000 ]  - [  -0.0002287700000000,  0.0000664300000000,  0.0001400000000000 ]  - [  -0.0001401600000000,  0.0001269800000000,  0.0003185000000000 ]  - [  -0.0000206100000000, -0.0000266300000000, -0.0002728600000000 ]  - [   0.0043801000000000,  0.0011132500000000,  0.0015338200000000 ]  - [  -0.0003486600000000, -0.0001577800000000,  0.0001063400000000 ]  - [  -0.0000443700000000, -0.0001344600000000,  0.0000839500000000 ]  - [  -0.0026979300000000, -0.0006949400000000, -0.0025951000000000 ]  - [   0.0000778400000000, -0.0000296100000000, -0.0002153200000000 ]  - [   0.0000181900000000,  0.0001997600000000,  0.0001891500000000 ]  - [   0.0000877100000000, -0.0003132200000000, -0.0003421900000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002886800000000,  0.0000827900000000, -0.0005255200000000 ]  - [  -0.0013023000000000, -0.0000983300000000,  0.0013002500000000 ]  - [  -0.0001342300000000, -0.0000909600000000,  0.0000527400000000 ]  - [   0.0000879500000000,  0.0000667000000000,  0.0000721900000000 ]  - [  -0.0001848500000000, -0.0008258800000000,  0.0000172200000000 ]  - [   0.0002664200000000,  0.0005052000000000, -0.0002967200000000 ]  - [   0.0001380300000000,  0.0001526600000000,  0.0000479300000000 ]  - [  -0.0000978200000000, -0.0001036000000000, -0.0000186000000000 ]  - [  -0.0004027100000000, -0.0001278800000000, -0.0004885200000000 ]  - [   0.0001116400000000, -0.0003362800000000,  0.0012067100000000 ]  - [   0.0043775900000000,  0.0012413600000000, -0.0001748500000000 ]  - [  -0.0913605400000000, -0.0488272200000000, -0.0025713000000000 ]  - [  -0.0000266300000000, -0.0002832300000000,  0.0003118800000000 ]  - [   0.0009388800000000,  0.0002541200000000, -0.0004652400000000 ]  - [  -0.0004426800000000,  0.0004791900000000, -0.0000487500000000 ]  - [  -0.0008531400000000, -0.0025227700000000,  0.0001425700000000 ]  - [   0.1258231300000000,  0.0608092600000000,  0.0065733600000000 ]  - [  -0.0053516400000000,  0.0064409400000000,  0.0000976100000000 ]  - [   0.0001938700000000, -0.0001334400000000,  0.0002104500000000 ]  - [   0.0000377000000000, -0.0000330400000000, -0.0000434100000000 ]  - [  -0.0001952500000000,  0.0001300200000000, -0.0001047200000000 ]  - [   0.0002073400000000, -0.0001810100000000, -0.0000693600000000 ]  - [   0.0002310600000000, -0.0002357200000000, -0.0007200600000000 ]  - [  -0.0006271800000000,  0.0007259500000000, -0.0014132100000000 ]  - [  -0.0001823800000000, -0.0000043000000000,  0.0000129400000000 ]  - [  -0.0003381000000000, -0.0000326800000000,  0.0001474700000000 ]  - [  -0.0001817500000000, -0.0004009800000000,  0.0002666900000000 ]  - [  -0.0007568000000000, -0.0001258200000000, -0.0004151000000000 ]  - [   0.0004057600000000,  0.0004521700000000,  0.0001015600000000 ]  - [  -0.0000472700000000, -0.0002368400000000,  0.0000717500000000 ]  - [  -0.0000809400000000,  0.0001013900000000,  0.0001427100000000 ]  - [   0.0002088100000000, -0.0000276900000000,  0.0000553200000000 ]  - [  -0.0021735600000000,  0.0000224400000000, -0.0004084800000000 ]  - [   0.0001713500000000,  0.0001894300000000, -0.0001372900000000 ]  - [   0.0000738600000000, -0.0000115200000000, -0.0004788300000000 ]  - [   0.0000263300000000,  0.0000616100000000,  0.0000406700000000 ]  - [  -0.0000120700000000, -0.0000672900000000,  0.0000296000000000 ]  - [   0.0002085700000000, -0.0013382200000000, -0.0023132000000000 ]  - [   0.0003114200000000,  0.0010074000000000,  0.0000671500000000 ]  - [  -0.0047838900000000, -0.0071116600000000,  0.0038635200000000 ]  - [   0.0000088700000000,  0.0000818900000000, -0.0000822000000000 ]  - [  -0.0002932500000000,  0.0002516400000000,  0.0000535200000000 ]  - [   0.0001096700000000, -0.0002509200000000,  0.0000044700000000 ]  - [  -0.0006928400000000,  0.0002537300000000,  0.0000834400000000 ]  - [   0.0001084700000000, -0.0000740900000000,  0.0000865500000000 ]  - [  -0.0001721400000000,  0.0000404100000000,  0.0006910800000000 ]  - [  -0.0002228700000000, -0.0000270300000000,  0.0003016400000000 ]  - [  -0.0000312300000000, -0.0000715300000000, -0.0001122800000000 ]  - [   0.0000579800000000,  0.0000884900000000,  0.0000750300000000 ]  - [  -0.0000437600000000, -0.0000793100000000,  0.0000848800000000 ]  - [   0.0000138800000000,  0.0000330400000000, -0.0002314400000000 ]  - [  -0.0003337600000000,  0.0001297400000000, -0.0003760600000000 ]  - [  -0.0117002200000000, -0.0036642300000000, -0.0008502300000000 ]  - [  -0.0018320900000000, -0.0011899900000000,  0.0000055900000000 ]  - [  -0.0004125500000000, -0.0004886100000000, -0.0004675300000000 ]  - [   0.0001330900000000,  0.0001736200000000, -0.0001326700000000 ]  - [   0.0002284200000000,  0.0003755500000000,  0.0000105600000000 ]  - [  -0.0000496400000000, -0.0000793700000000,  0.0001642300000000 ]  - [   0.0000402500000000,  0.0000703500000000,  0.0005084700000000 ]  - [  -0.0000205100000000, -0.0000860200000000, -0.0000433500000000 ]  - [  -0.0000153300000000,  0.0000886500000000, -0.0000771000000000 ]  - [  -0.0005484900000000, -0.0011686200000000,  0.0007258400000000 ]  - [   0.0000731500000000,  0.0009619200000000, -0.0000734700000000 ]  - [  -0.0008441000000000, -0.0003866800000000,  0.0005327600000000 ]  - [   0.0001740100000000, -0.0000755500000000, -0.0000771000000000 ]  - [   0.0001465800000000,  0.0004286600000000, -0.0002922400000000 ]  - [  -0.0007843800000000, -0.0003072600000000, -0.0010051900000000 ]  - [  -0.0027755600000000, -0.0057299600000000, -0.0036704100000000 ]  - [  -0.0023204800000000, -0.0000959300000000,  0.0005461600000000 ]  - [  -0.0000553600000000,  0.0000916700000000, -0.0001205100000000 ]  - [   0.0000046300000000, -0.0000432600000000, -0.0001234700000000 ]  - [  -0.0001661700000000,  0.0000721600000000, -0.0001107300000000 ]  - [   0.0000091300000000, -0.0000771100000000, -0.0000445100000000 ]  - [   0.0004641600000000,  0.0003829500000000,  0.0005776900000000 ]  - [   0.0000421800000000, -0.0003793100000000,  0.0003254100000000 ]  - [   0.0002024400000000, -0.0001200800000000,  0.0000785700000000 ]  - [  -0.0002093100000000,  0.0002152800000000,  0.0000375800000000 ]  - [   0.0000337600000000,  0.0000388600000000,  0.0000841800000000 ]  - [   0.0000219600000000, -0.0000206900000000,  0.0001356800000000 ]  - [  -0.0010384800000000, -0.0004889100000000, -0.0004455800000000 ]  - [  -0.0002840500000000,  0.0007052700000000, -0.0003750500000000 ]  - [  -0.0000184900000000,  0.0000175100000000, -0.0001224500000000 ]  - [  -0.0001715400000000, -0.0000355700000000,  0.0003387100000000 ]  - [   0.0028750800000000,  0.0004663500000000, -0.0023096400000000 ]  - [   0.0000478000000000,  0.0001069600000000,  0.0001467300000000 ]  - [  -0.0032113000000000,  0.0004100500000000,  0.0002990000000000 ]  - [   0.0002369900000000, -0.0000700400000000, -0.0001439400000000 ]  - [   0.0001424000000000, -0.0001277100000000, -0.0003140200000000 ]  - [   0.0000183800000000,  0.0000264900000000,  0.0002714300000000 ]  - [  -0.0044206600000000, -0.0010534700000000, -0.0014695300000000 ]  - [   0.0003563200000000,  0.0001579400000000, -0.0001050900000000 ]  - [   0.0000427700000000,  0.0001296700000000, -0.0000776700000000 ]  - [   0.0026775400000000,  0.0006851200000000,  0.0025706400000000 ]  - [  -0.0000764200000000,  0.0000276400000000,  0.0002125600000000 ]  - [  -0.0000145500000000, -0.0001935300000000, -0.0001866600000000 ]  - [  -0.0000830100000000,  0.0003069400000000,  0.0003485200000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000482300000000,  0.0001199500000000, -0.0001603900000000 ]  - [   0.0009444600000000,  0.0005401000000000, -0.0010884500000000 ]  - [   0.0001382100000000, -0.0001602400000000,  0.0000083100000000 ]  - [  -0.0000128900000000,  0.0000955800000000,  0.0000033400000000 ]  - [  -0.0002089400000000, -0.0005924900000000,  0.0000644000000000 ]  - [   0.0000156000000000, -0.0005858000000000,  0.0001160100000000 ]  - [  -0.0001539200000000,  0.0002029500000000,  0.0000575400000000 ]  - [   0.0000055100000000, -0.0001157600000000,  0.0000803500000000 ]  - [  -0.0002057400000000, -0.0002279500000000, -0.0001882900000000 ]  - [  -0.0003016100000000,  0.0004227100000000, -0.0007297100000000 ]  - [   0.0010809900000000,  0.0032481300000000, -0.0001406300000000 ]  - [   0.0541219000000000,  0.0552467000000000,  0.0014710100000000 ]  - [   0.0000545400000000,  0.0001989900000000,  0.0001088100000000 ]  - [  -0.0012419700000000,  0.0008429800000000,  0.0001751500000000 ]  - [  -0.0002134000000000, -0.0009866400000000,  0.0002494900000000 ]  - [   0.0034178900000000,  0.0006443000000000,  0.0000971600000000 ]  - [  -0.0632197400000000, -0.0876653800000000,  0.0042749800000000 ]  - [  -0.0066505200000000,  0.0034650500000000,  0.0004263500000000 ]  - [   0.0001161000000000,  0.0001171800000000,  0.0000561700000000 ]  - [  -0.0001245200000000,  0.0002007300000000,  0.0002524100000000 ]  - [  -0.0000884800000000,  0.0001313800000000, -0.0000925200000000 ]  - [   0.0000358600000000,  0.0000224900000000, -0.0001920800000000 ]  - [  -0.0001739400000000, -0.0004465500000000, -0.0001278200000000 ]  - [  -0.0004404300000000,  0.0008495600000000, -0.0012967300000000 ]  - [  -0.0000206200000000, -0.0000173400000000,  0.0000274200000000 ]  - [  -0.0000520700000000, -0.0002557500000000,  0.0000470600000000 ]  - [   0.0001706200000000,  0.0003457100000000, -0.0000814700000000 ]  - [  -0.0003454700000000,  0.0000934800000000,  0.0000277800000000 ]  - [  -0.0005165400000000,  0.0013562800000000,  0.0001823200000000 ]  - [   0.0001020000000000,  0.0000942500000000, -0.0001099400000000 ]  - [  -0.0000783300000000,  0.0000473600000000, -0.0000146600000000 ]  - [   0.0000520800000000, -0.0000741700000000,  0.0000179200000000 ]  - [   0.0005928400000000, -0.0005461100000000,  0.0004263100000000 ]  - [   0.0001174200000000,  0.0001764500000000, -0.0001263400000000 ]  - [  -0.0002173400000000, -0.0002829900000000,  0.0002873000000000 ]  - [   0.0001040000000000,  0.0000696900000000,  0.0000283000000000 ]  - [  -0.0001583500000000, -0.0000293100000000,  0.0000377400000000 ]  - [   0.0003937100000000,  0.0006854200000000,  0.0022176900000000 ]  - [   0.0000849700000000, -0.0001125600000000,  0.0000296000000000 ]  - [   0.0091105400000000,  0.0020387200000000, -0.0043078500000000 ]  - [   0.0001369400000000,  0.0000662600000000, -0.0001518300000000 ]  - [  -0.0000774300000000,  0.0001088800000000, -0.0000231200000000 ]  - [   0.0000780000000000,  0.0000758500000000, -0.0000223300000000 ]  - [   0.0004594400000000,  0.0000516300000000,  0.0000845800000000 ]  - [  -0.0002926800000000,  0.0003212100000000,  0.0000235100000000 ]  - [   0.0004439000000000,  0.0001845500000000, -0.0005802400000000 ]  - [  -0.0000538800000000, -0.0002378700000000,  0.0000257200000000 ]  - [  -0.0001467700000000, -0.0001226600000000, -0.0001184100000000 ]  - [   0.0001298200000000,  0.0001252900000000,  0.0000708600000000 ]  - [  -0.0001375400000000, -0.0000911200000000,  0.0000865300000000 ]  - [   0.0001256500000000, -0.0002535800000000,  0.0001008900000000 ]  - [  -0.0001143200000000,  0.0000241800000000,  0.0001032700000000 ]  - [  -0.0038783500000000, -0.0028989500000000, -0.0003201900000000 ]  - [  -0.0009789600000000, -0.0008941000000000,  0.0000175300000000 ]  - [   0.0000577800000000,  0.0001990700000000,  0.0002157400000000 ]  - [   0.0000442300000000,  0.0000810000000000, -0.0001284100000000 ]  - [  -0.0005314300000000,  0.0009760300000000, -0.0002246400000000 ]  - [  -0.0000571700000000, -0.0000229100000000,  0.0001248900000000 ]  - [   0.0001896300000000, -0.0000347700000000, -0.0008001900000000 ]  - [  -0.0001068600000000, -0.0000762900000000, -0.0000702000000000 ]  - [   0.0001557600000000,  0.0000337700000000, -0.0000853800000000 ]  - [   0.0016434300000000, -0.0009381800000000, -0.0013600700000000 ]  - [  -0.0000492800000000,  0.0004663500000000, -0.0001055000000000 ]  - [  -0.0001699100000000,  0.0001092100000000,  0.0000048100000000 ]  - [   0.0000410300000000, -0.0000416900000000, -0.0000554200000000 ]  - [   0.0000936700000000, -0.0000547600000000, -0.0000585200000000 ]  - [   0.0005821400000000,  0.0001571900000000,  0.0006583700000000 ]  - [   0.0085316600000000,  0.0008241800000000,  0.0043808000000000 ]  - [   0.0003580200000000, -0.0005705700000000, -0.0003155800000000 ]  - [  -0.0000221700000000,  0.0000855200000000,  0.0001248500000000 ]  - [   0.0000865600000000, -0.0001374800000000,  0.0000493100000000 ]  - [  -0.0000593900000000,  0.0000906900000000, -0.0000279600000000 ]  - [   0.0002989300000000,  0.0004163100000000, -0.0001117000000000 ]  - [  -0.0000658700000000,  0.0001733900000000, -0.0000037000000000 ]  - [   0.0000646900000000, -0.0006775700000000,  0.0001190200000000 ]  - [   0.0001009200000000, -0.0001156400000000,  0.0000448400000000 ]  - [  -0.0000051900000000, -0.0000122300000000,  0.0000942900000000 ]  - [   0.0004414400000000,  0.0003865700000000, -0.0000616900000000 ]  - [  -0.0000537300000000,  0.0000065500000000,  0.0001456100000000 ]  - [   0.0003176800000000,  0.0025841400000000, -0.0002874400000000 ]  - [  -0.0004484000000000, -0.0006148200000000,  0.0002408000000000 ]  - [   0.0000279600000000, -0.0000817300000000,  0.0000203000000000 ]  - [  -0.0000800500000000,  0.0002370400000000,  0.0001463500000000 ]  - [  -0.0015457700000000,  0.0013538400000000, -0.0007011200000000 ]  - [  -0.0000859000000000, -0.0002250900000000,  0.0000120500000000 ]  - [  -0.0004862600000000,  0.0110142900000000, -0.0099850200000000 ]  - [   0.0004729500000000, -0.0002671800000000, -0.0002944100000000 ]  - [  -0.0000900300000000,  0.0001941600000000,  0.0002167700000000 ]  - [  -0.0000009300000000,  0.0000200700000000, -0.0000396200000000 ]  - [  -0.0000782700000000,  0.0084134300000000,  0.0058168300000000 ]  - [   0.0004800400000000, -0.0004709600000000,  0.0003542700000000 ]  - [  -0.0000312700000000, -0.0003180400000000,  0.0001151700000000 ]  - [  -0.0013993300000000,  0.0014918700000000,  0.0008681000000000 ]  - [   0.0000747400000000, -0.0000812300000000, -0.0000513200000000 ]  - [   0.0000027800000000,  0.0003510800000000, -0.0000141800000000 ]  - [  -0.0005788800000000, -0.0005413100000000, -0.0003819200000000 ]- atom:   17  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001687600000000, -0.0001190700000000,  0.0001590900000000 ]  - [  -0.0011744400000000, -0.0005452300000000,  0.0011009200000000 ]  - [  -0.0001405000000000, -0.0000592900000000, -0.0000033900000000 ]  - [   0.0000144000000000,  0.0001207900000000, -0.0000018000000000 ]  - [   0.0004269800000000,  0.0005975300000000, -0.0000693800000000 ]  - [   0.0001979700000000,  0.0005848600000000, -0.0001165900000000 ]  - [   0.0001573000000000,  0.0000149200000000, -0.0000555700000000 ]  - [  -0.0000089400000000, -0.0001021600000000, -0.0000875200000000 ]  - [  -0.0000120100000000,  0.0002241200000000,  0.0001950300000000 ]  - [   0.0000868100000000, -0.0004276300000000,  0.0007355100000000 ]  - [  -0.0011301600000000, -0.0034810700000000,  0.0001411900000000 ]  - [  -0.0524126800000000, -0.0546667000000000, -0.0014147600000000 ]  - [   0.0001602500000000, -0.0001993900000000, -0.0001047600000000 ]  - [   0.0014655000000000, -0.0008430400000000, -0.0001663600000000 ]  - [   0.0002199600000000,  0.0012105700000000, -0.0002516400000000 ]  - [  -0.0035025800000000, -0.0008710100000000, -0.0001070900000000 ]  - [   0.0617089300000000,  0.0875415700000000, -0.0040520300000000 ]  - [   0.0063806100000000, -0.0036675900000000, -0.0002478800000000 ]  - [   0.0000930300000000, -0.0003467100000000,  0.0001207700000000 ]  - [  -0.0000780300000000,  0.0000227400000000, -0.0000760000000000 ]  - [  -0.0001398300000000,  0.0000742300000000, -0.0000816900000000 ]  - [   0.0001896600000000, -0.0002303500000000,  0.0000208300000000 ]  - [  -0.0000303400000000,  0.0002251300000000, -0.0000435200000000 ]  - [   0.0006471800000000, -0.0006212100000000,  0.0011229800000000 ]  - [  -0.0001639800000000,  0.0001385200000000,  0.0000761400000000 ]  - [  -0.0000765400000000,  0.0000721500000000,  0.0000589100000000 ]  - [  -0.0000452700000000, -0.0001600500000000,  0.0001890700000000 ]  - [   0.0001716100000000, -0.0002235400000000, -0.0001356200000000 ]  - [   0.0007163300000000, -0.0012522900000000, -0.0003008000000000 ]  - [   0.0000260600000000, -0.0002794600000000,  0.0000022600000000 ]  - [  -0.0000457800000000,  0.0001373600000000, -0.0000906700000000 ]  - [   0.0001309600000000, -0.0000535200000000,  0.0000838500000000 ]  - [  -0.0003935500000000,  0.0004220200000000, -0.0005358000000000 ]  - [   0.0000085300000000,  0.0000089100000000,  0.0000246500000000 ]  - [   0.0000890500000000,  0.0001017800000000, -0.0003992600000000 ]  - [   0.0000802900000000,  0.0000530900000000,  0.0000784900000000 ]  - [  -0.0000276100000000, -0.0000938900000000,  0.0000681700000000 ]  - [  -0.0005161400000000, -0.0004963800000000, -0.0021344900000000 ]  - [   0.0000371200000000, -0.0000770700000000,  0.0000739900000000 ]  - [  -0.0091969200000000, -0.0018956600000000,  0.0041135100000000 ]  - [   0.0000903900000000,  0.0001409700000000, -0.0000244700000000 ]  - [  -0.0001260900000000,  0.0001189700000000, -0.0001572800000000 ]  - [   0.0001277400000000, -0.0003050700000000, -0.0001539200000000 ]  - [  -0.0002454800000000, -0.0002551000000000,  0.0000912800000000 ]  - [   0.0000653600000000, -0.0001181500000000,  0.0001532800000000 ]  - [  -0.0002372800000000,  0.0000441700000000,  0.0007524300000000 ]  - [  -0.0001503400000000,  0.0000108300000000,  0.0001485500000000 ]  - [  -0.0000801100000000, -0.0000843800000000, -0.0000589900000000 ]  - [   0.0000975700000000,  0.0000803000000000,  0.0001068700000000 ]  - [  -0.0000879500000000, -0.0001138800000000,  0.0000932300000000 ]  - [   0.0000782000000000,  0.0000290600000000,  0.0000774400000000 ]  - [  -0.0000887000000000,  0.0001988500000000,  0.0000743900000000 ]  - [   0.0037365400000000,  0.0030966300000000,  0.0001450700000000 ]  - [   0.0011963500000000,  0.0006926400000000, -0.0001959200000000 ]  - [  -0.0002591300000000, -0.0004209900000000, -0.0003917500000000 ]  - [   0.0001609400000000,  0.0001411700000000, -0.0000480500000000 ]  - [   0.0003545900000000, -0.0008680100000000,  0.0003423100000000 ]  - [  -0.0000707300000000, -0.0001649400000000, -0.0000191400000000 ]  - [  -0.0000624200000000,  0.0002230500000000,  0.0009213900000000 ]  - [  -0.0000773900000000, -0.0000413000000000, -0.0000312700000000 ]  - [   0.0000282100000000,  0.0000886300000000, -0.0000150300000000 ]  - [  -0.0015199700000000,  0.0007651300000000,  0.0012207100000000 ]  - [  -0.0000829100000000, -0.0002872400000000, -0.0000013200000000 ]  - [   0.0003709600000000, -0.0002356700000000,  0.0001029900000000 ]  - [   0.0001456500000000, -0.0000918400000000, -0.0000521600000000 ]  - [   0.0000385100000000,  0.0002375900000000, -0.0000527700000000 ]  - [  -0.0007157600000000, -0.0003392000000000, -0.0007774700000000 ]  - [  -0.0082601400000000, -0.0006821300000000, -0.0041862600000000 ]  - [  -0.0005356300000000,  0.0004441400000000,  0.0004190000000000 ]  - [  -0.0001052500000000,  0.0000984800000000, -0.0000121900000000 ]  - [   0.0000397700000000, -0.0000472100000000,  0.0000612400000000 ]  - [  -0.0001262000000000,  0.0000369500000000, -0.0000775600000000 ]  - [  -0.0000692400000000, -0.0002118500000000, -0.0000653800000000 ]  - [  -0.0001388600000000,  0.0000490400000000, -0.0001768000000000 ]  - [   0.0001382100000000,  0.0004572400000000, -0.0002922700000000 ]  - [   0.0001304700000000, -0.0000924400000000,  0.0001305200000000 ]  - [  -0.0002244300000000,  0.0002218800000000,  0.0000832200000000 ]  - [  -0.0002417100000000, -0.0001699100000000,  0.0002359800000000 ]  - [  -0.0001490300000000, -0.0002277600000000,  0.0000287300000000 ]  - [  -0.0005102200000000, -0.0028501300000000,  0.0001278500000000 ]  - [   0.0004567700000000,  0.0006142500000000, -0.0002497600000000 ]  - [  -0.0000286200000000,  0.0000809000000000, -0.0000187500000000 ]  - [   0.0000779800000000, -0.0002359100000000, -0.0001488500000000 ]  - [   0.0015412900000000, -0.0013597000000000,  0.0007019600000000 ]  - [   0.0000881200000000,  0.0002248900000000, -0.0000137000000000 ]  - [   0.0004062600000000, -0.0109818100000000,  0.0097092300000000 ]  - [  -0.0004807500000000,  0.0002681600000000,  0.0002917300000000 ]  - [   0.0000908900000000, -0.0001933000000000, -0.0002153900000000 ]  - [  -0.0000008200000000, -0.0000215500000000,  0.0000404400000000 ]  - [   0.0000287700000000, -0.0083738100000000, -0.0056270800000000 ]  - [  -0.0004924100000000,  0.0004766500000000, -0.0003556700000000 ]  - [   0.0000311500000000,  0.0003224300000000, -0.0001146500000000 ]  - [   0.0013917700000000, -0.0014996300000000, -0.0008737700000000 ]  - [  -0.0000753100000000,  0.0000831700000000,  0.0000528500000000 ]  - [  -0.0000020000000000, -0.0003554800000000,  0.0000167400000000 ]  - [   0.0005879800000000,  0.0005442800000000,  0.0003894000000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0003278000000000, -0.0001142900000000, -0.0003089200000000 ]  - [   0.0001934400000000, -0.0006519800000000, -0.0011869300000000 ]  - [  -0.0001475900000000, -0.0000506500000000, -0.0006367600000000 ]  - [   0.0000563600000000,  0.0001538200000000, -0.0007032500000000 ]  - [   0.0009555100000000,  0.0015366500000000, -0.0008081100000000 ]  - [   0.0003255700000000,  0.0004054600000000, -0.0004052700000000 ]  - [   0.0000936500000000, -0.0000231000000000, -0.0007862900000000 ]  - [   0.0000362400000000, -0.0000841400000000, -0.0008217600000000 ]  - [   0.0000175100000000, -0.0006691700000000, -0.0009119200000000 ]  - [  -0.0002090400000000,  0.0006581800000000, -0.0011649800000000 ]  - [   0.0000371100000000, -0.0000268300000000,  0.0015007700000000 ]  - [   0.0027458700000000,  0.0012695400000000,  0.0223960200000000 ]  - [  -0.0002244900000000,  0.0002612200000000,  0.0000049500000000 ]  - [   0.0012766500000000, -0.0011554700000000, -0.0002799600000000 ]  - [   0.0000184000000000,  0.0001409000000000,  0.0016696500000000 ]  - [  -0.0005708200000000, -0.0000897200000000,  0.0014068400000000 ]  - [  -0.0060089700000000,  0.0040188800000000, -0.0502553900000000 ]  - [  -0.0000833700000000, -0.0004457000000000, -0.0029527100000000 ]  - [   0.0001191600000000, -0.0005823000000000,  0.0002704400000000 ]  - [  -0.0001131500000000,  0.0004359200000000,  0.0002858200000000 ]  - [  -0.0000989700000000,  0.0001070500000000,  0.0003648300000000 ]  - [   0.0001312800000000, -0.0002074700000000,  0.0004458700000000 ]  - [  -0.0001420300000000,  0.0005171000000000,  0.0008119600000000 ]  - [   0.0013072400000000, -0.0012179900000000,  0.0032997000000000 ]  - [  -0.0001061800000000,  0.0003195300000000,  0.0004522700000000 ]  - [   0.0000692800000000,  0.0001377200000000,  0.0001297200000000 ]  - [  -0.0002062200000000, -0.0003363000000000,  0.0003295000000000 ]  - [   0.0002980600000000, -0.0000371300000000, -0.0003338700000000 ]  - [  -0.0002643600000000,  0.0007385000000000, -0.0005007800000000 ]  - [  -0.0000156700000000, -0.0002261400000000,  0.0001537100000000 ]  - [  -0.0000012800000000,  0.0001483300000000,  0.0000690700000000 ]  - [   0.0000314900000000, -0.0002196100000000,  0.0004483300000000 ]  - [   0.0008265300000000, -0.0002151400000000, -0.0011167500000000 ]  - [  -0.0002058100000000, -0.0001513800000000,  0.0002750600000000 ]  - [   0.0000145700000000,  0.0000830900000000,  0.0004819800000000 ]  - [   0.0000761500000000,  0.0001699800000000,  0.0004344100000000 ]  - [  -0.0000493100000000, -0.0001915900000000,  0.0004036600000000 ]  - [   0.0017824200000000,  0.0027795600000000,  0.0031917200000000 ]  - [  -0.0002396200000000, -0.0008898400000000,  0.0002245400000000 ]  - [  -0.0098432400000000, -0.0092713000000000,  0.0021026300000000 ]  - [   0.0001208100000000,  0.0001655600000000,  0.0003420800000000 ]  - [  -0.0000352600000000,  0.0002099800000000,  0.0000389500000000 ]  - [   0.0000349100000000, -0.0002603800000000,  0.0000407900000000 ]  - [   0.0001092800000000, -0.0000916400000000, -0.0004631400000000 ]  - [  -0.0001158600000000,  0.0000370400000000, -0.0006835400000000 ]  - [  -0.0000495900000000,  0.0001163500000000,  0.0004371400000000 ]  - [  -0.0001592200000000, -0.0000660900000000,  0.0002767000000000 ]  - [  -0.0000911300000000, -0.0001316900000000,  0.0003475500000000 ]  - [   0.0001286900000000,  0.0000837400000000,  0.0004784500000000 ]  - [  -0.0001189100000000, -0.0000974400000000,  0.0004581100000000 ]  - [   0.0002640100000000, -0.0002446900000000,  0.0002844800000000 ]  - [  -0.0000685000000000, -0.0000139000000000,  0.0002690100000000 ]  - [   0.0006070800000000,  0.0003191700000000, -0.0045301800000000 ]  - [   0.0002069600000000,  0.0000020500000000, -0.0007497100000000 ]  - [   0.0002033600000000,  0.0002696600000000,  0.0004176500000000 ]  - [   0.0001403200000000,  0.0000687700000000, -0.0000747700000000 ]  - [   0.0001777500000000, -0.0005162900000000, -0.0004170400000000 ]  - [  -0.0002267200000000,  0.0000418700000000,  0.0003482900000000 ]  - [   0.0000927800000000,  0.0002246300000000,  0.0012901800000000 ]  - [  -0.0000487300000000,  0.0000591300000000,  0.0003758000000000 ]  - [   0.0000447900000000, -0.0000232900000000,  0.0004017900000000 ]  - [  -0.0024938800000000, -0.0007180400000000,  0.0057144000000000 ]  - [  -0.0002227800000000,  0.0024779700000000,  0.0002207100000000 ]  - [   0.0000567800000000, -0.0000418300000000, -0.0003661300000000 ]  - [   0.0001705700000000,  0.0000117100000000,  0.0002493600000000 ]  - [   0.0001678000000000,  0.0000158500000000, -0.0001178600000000 ]  - [   0.0005774500000000, -0.0001051000000000,  0.0009434700000000 ]  - [   0.0086976400000000,  0.0085537400000000,  0.0025480800000000 ]  - [  -0.0009729800000000,  0.0000496500000000, -0.0009727100000000 ]  - [  -0.0001087100000000,  0.0000525800000000,  0.0003254500000000 ]  - [   0.0001603500000000, -0.0001665500000000,  0.0001828200000000 ]  - [  -0.0001309500000000, -0.0000703900000000,  0.0002934000000000 ]  - [   0.0001630700000000,  0.0001239300000000, -0.0009712000000000 ]  - [   0.0001065600000000,  0.0005270800000000,  0.0007060200000000 ]  - [   0.0000159800000000, -0.0007773800000000,  0.0007051900000000 ]  - [   0.0001270200000000, -0.0000611100000000,  0.0005997300000000 ]  - [  -0.0001679400000000,  0.0001085700000000,  0.0006134200000000 ]  - [  -0.0005712100000000, -0.0004979300000000,  0.0004332700000000 ]  - [  -0.0000357200000000,  0.0001058200000000,  0.0002774600000000 ]  - [   0.0002113900000000, -0.0002993000000000, -0.0013577800000000 ]  - [   0.0000862500000000, -0.0000527900000000,  0.0011399700000000 ]  - [  -0.0000027400000000,  0.0000758700000000, -0.0006104800000000 ]  - [   0.0002374700000000, -0.0001198200000000, -0.0013257400000000 ]  - [   0.0026125400000000, -0.0012749800000000,  0.0003040000000000 ]  - [   0.0000327800000000,  0.0000209400000000, -0.0010210100000000 ]  - [  -0.0024209300000000, -0.0070338100000000,  0.0085482400000000 ]  - [   0.0001047600000000,  0.0002147800000000,  0.0006927300000000 ]  - [   0.0000251400000000, -0.0001329600000000, -0.0008495200000000 ]  - [  -0.0000777200000000,  0.0000420700000000, -0.0006893300000000 ]  - [   0.0030880600000000,  0.0014756200000000,  0.0070382100000000 ]  - [  -0.0001060900000000, -0.0004534400000000,  0.0007843800000000 ]  - [  -0.0000289800000000,  0.0002890800000000, -0.0009232400000000 ]  - [  -0.0021354700000000,  0.0010101400000000,  0.0006173100000000 ]  - [   0.0001158100000000, -0.0001069500000000, -0.0007729000000000 ]  - [   0.0000803900000000, -0.0002713700000000, -0.0013211600000000 ]  - [  -0.0001331000000000, -0.0001484000000000,  0.0014930500000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0001234500000000,  0.0001159400000000,  0.0003024600000000 ]  - [  -0.0003769700000000,  0.0006632000000000,  0.0011792700000000 ]  - [   0.0001460500000000, -0.0001626100000000,  0.0006442900000000 ]  - [  -0.0000531100000000,  0.0000536300000000,  0.0007053500000000 ]  - [  -0.0007477800000000, -0.0015465900000000,  0.0008099400000000 ]  - [  -0.0001171100000000, -0.0004026000000000,  0.0004109600000000 ]  - [  -0.0000915500000000,  0.0002346400000000,  0.0007920200000000 ]  - [  -0.0000423900000000, -0.0001251400000000,  0.0008116300000000 ]  - [  -0.0002357000000000,  0.0006622800000000,  0.0009077900000000 ]  - [   0.0000074900000000, -0.0006543800000000,  0.0011752800000000 ]  - [  -0.0000313700000000, -0.0001999100000000, -0.0015122300000000 ]  - [  -0.0031389600000000, -0.0012986400000000, -0.0224289300000000 ]  - [   0.0004284200000000, -0.0002648000000000,  0.0000049700000000 ]  - [  -0.0010968600000000,  0.0011346700000000,  0.0003312200000000 ]  - [  -0.0000242400000000,  0.0000570500000000, -0.0016695900000000 ]  - [   0.0006483600000000, -0.0001416300000000, -0.0013975500000000 ]  - [   0.0071055700000000, -0.0043092300000000,  0.0503940900000000 ]  - [  -0.0001024800000000,  0.0002280000000000,  0.0031297300000000 ]  - [   0.0000900000000000,  0.0003529000000000, -0.0000926300000000 ]  - [  -0.0000892500000000, -0.0002111400000000, -0.0001057900000000 ]  - [  -0.0001319000000000,  0.0000966000000000, -0.0005415800000000 ]  - [   0.0000938300000000,  0.0000046700000000, -0.0006205100000000 ]  - [  -0.0000575200000000, -0.0007496000000000, -0.0009897900000000 ]  - [  -0.0011144200000000,  0.0014523600000000, -0.0035148000000000 ]  - [  -0.0000773900000000, -0.0001981900000000, -0.0003498800000000 ]  - [  -0.0002079400000000, -0.0003188400000000, -0.0000226100000000 ]  - [   0.0003322200000000,  0.0005189100000000, -0.0002262500000000 ]  - [  -0.0004994300000000, -0.0001018800000000,  0.0002076100000000 ]  - [   0.0004515900000000, -0.0006063600000000,  0.0003922600000000 ]  - [   0.0001462000000000,  0.0000398700000000, -0.0002631400000000 ]  - [  -0.0001274800000000,  0.0000365600000000, -0.0001736200000000 ]  - [   0.0001519300000000,  0.0000876600000000, -0.0003463500000000 ]  - [  -0.0006575900000000,  0.0000809400000000,  0.0010025600000000 ]  - [   0.0003365100000000,  0.0003386400000000, -0.0003799000000000 ]  - [  -0.0001553100000000, -0.0002677200000000, -0.0005871300000000 ]  - [   0.0001069500000000, -0.0000438200000000, -0.0003272300000000 ]  - [  -0.0001376700000000,  0.0000660500000000, -0.0002973800000000 ]  - [  -0.0019610100000000, -0.0026099400000000, -0.0030843400000000 ]  - [   0.0003718300000000,  0.0007123300000000, -0.0001176800000000 ]  - [   0.0096822200000000,  0.0094930600000000, -0.0022273700000000 ]  - [   0.0001066500000000,  0.0000387100000000, -0.0005214200000000 ]  - [  -0.0001669600000000,  0.0000214900000000, -0.0002220200000000 ]  - [   0.0001686700000000,  0.0000302400000000, -0.0002200400000000 ]  - [   0.0000967500000000, -0.0000985900000000,  0.0006405700000000 ]  - [  -0.0001101300000000,  0.0001665900000000,  0.0008627900000000 ]  - [   0.0002487500000000,  0.0001090000000000, -0.0002514700000000 ]  - [  -0.0000426700000000, -0.0001607400000000, -0.0000975600000000 ]  - [  -0.0001361800000000, -0.0000723700000000, -0.0005283100000000 ]  - [   0.0000993700000000,  0.0001193500000000, -0.0002978200000000 ]  - [  -0.0001065700000000, -0.0001034400000000, -0.0002748800000000 ]  - [  -0.0000653800000000,  0.0000224700000000, -0.0001065300000000 ]  - [  -0.0001328900000000,  0.0002328100000000, -0.0000936200000000 ]  - [  -0.0009298400000000, -0.0001466300000000,  0.0043369300000000 ]  - [   0.0000143200000000, -0.0002109500000000,  0.0005683600000000 ]  - [  -0.0004041400000000, -0.0004929600000000, -0.0005906900000000 ]  - [   0.0000599900000000,  0.0001567100000000, -0.0001040600000000 ]  - [  -0.0003568000000000,  0.0006433300000000,  0.0005255100000000 ]  - [   0.0000929200000000, -0.0002300800000000, -0.0002370900000000 ]  - [   0.0000454000000000, -0.0000333400000000, -0.0011727900000000 ]  - [  -0.0001348000000000, -0.0001779500000000, -0.0004768800000000 ]  - [   0.0001399500000000,  0.0001494700000000, -0.0005045800000000 ]  - [   0.0026203900000000,  0.0005333100000000, -0.0057423100000000 ]  - [   0.0000883800000000, -0.0022718000000000, -0.0003295600000000 ]  - [   0.0001053100000000, -0.0001077300000000,  0.0004979300000000 ]  - [   0.0000155400000000, -0.0001514200000000, -0.0003591200000000 ]  - [  -0.0000273200000000,  0.0001721600000000,  0.0000013800000000 ]  - [  -0.0007259800000000, -0.0000892100000000, -0.0010675600000000 ]  - [  -0.0084876300000000, -0.0083162600000000, -0.0024175000000000 ]  - [   0.0007826600000000, -0.0001930400000000,  0.0010844900000000 ]  - [  -0.0000256000000000,  0.0001290200000000, -0.0002101300000000 ]  - [  -0.0000290800000000, -0.0000170700000000, -0.0000724200000000 ]  - [  -0.0000543000000000,  0.0002033000000000, -0.0004008300000000 ]  - [   0.0000732200000000,  0.0000770900000000,  0.0007908600000000 ]  - [  -0.0003050600000000, -0.0003019200000000, -0.0008830100000000 ]  - [   0.0001892100000000,  0.0005470000000000, -0.0008835400000000 ]  - [   0.0001073000000000, -0.0001460300000000, -0.0004229400000000 ]  - [  -0.0000630400000000,  0.0000970000000000, -0.0004331200000000 ]  - [   0.0007611600000000,  0.0007157400000000, -0.0002544300000000 ]  - [  -0.0001586300000000, -0.0003225400000000, -0.0000964100000000 ]  - [  -0.0004922000000000,  0.0001160300000000,  0.0011655600000000 ]  - [  -0.0000940300000000,  0.0000443700000000, -0.0011308500000000 ]  - [   0.0000011700000000, -0.0000755200000000,  0.0006106500000000 ]  - [  -0.0002408300000000,  0.0001295700000000,  0.0013278800000000 ]  - [  -0.0026064800000000,  0.0012889800000000, -0.0003294000000000 ]  - [  -0.0000337600000000, -0.0000267600000000,  0.0010222800000000 ]  - [   0.0022228300000000,  0.0074466600000000, -0.0090130300000000 ]  - [  -0.0000971200000000, -0.0002214200000000, -0.0006951100000000 ]  - [  -0.0000197100000000,  0.0001308400000000,  0.0008481700000000 ]  - [   0.0000745300000000, -0.0000435900000000,  0.0006926700000000 ]  - [  -0.0032232800000000, -0.0012004000000000, -0.0065926700000000 ]  - [   0.0001143500000000,  0.0004495200000000, -0.0007875600000000 ]  - [   0.0000267400000000, -0.0002910500000000,  0.0009247400000000 ]  - [   0.0021434900000000, -0.0009982600000000, -0.0005908100000000 ]  - [  -0.0001139100000000,  0.0001040300000000,  0.0007723500000000 ]  - [  -0.0000781200000000,  0.0002730300000000,  0.0013233800000000 ]  - [   0.0001162000000000,  0.0001362800000000, -0.0015096100000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000339800000000, -0.0013417000000000,  0.0005588600000000 ]  - [  -0.0001972300000000,  0.0007710400000000, -0.0015668400000000 ]  - [  -0.0017919500000000, -0.0000848200000000,  0.0003312700000000 ]  - [   0.0011424500000000,  0.0000968500000000,  0.0000834600000000 ]  - [   0.0007659500000000,  0.0004384300000000, -0.0011717200000000 ]  - [   0.0005620400000000,  0.0000587300000000, -0.0011079600000000 ]  - [   0.0223750800000000,  0.0036486200000000,  0.0005666900000000 ]  - [  -0.0028525500000000, -0.0002759500000000,  0.0003767600000000 ]  - [  -0.0001028300000000, -0.0001770200000000,  0.0000467200000000 ]  - [   0.0000128400000000, -0.0000770600000000, -0.0001478000000000 ]  - [   0.0000462100000000,  0.0000033100000000,  0.0000381300000000 ]  - [  -0.0001278300000000,  0.0001686000000000, -0.0000837100000000 ]  - [  -0.0005230900000000,  0.0001846600000000, -0.0003481800000000 ]  - [   0.0006209300000000, -0.0000350700000000,  0.0005538600000000 ]  - [  -0.0000380200000000,  0.0001213700000000, -0.0000363300000000 ]  - [   0.0001642300000000, -0.0001147900000000, -0.0000204300000000 ]  - [   0.0002046200000000,  0.0001699200000000,  0.0000753000000000 ]  - [  -0.0002299200000000, -0.0001351200000000,  0.0001486800000000 ]  - [  -0.0000643100000000, -0.0000540500000000,  0.0003178000000000 ]  - [   0.0001567400000000, -0.0003879600000000,  0.0005164900000000 ]  - [  -0.0004323000000000,  0.0007146400000000, -0.0004475800000000 ]  - [   0.0007726300000000,  0.0001624000000000, -0.0004880300000000 ]  - [   0.0002832200000000, -0.0009942700000000,  0.0023046400000000 ]  - [  -0.0007466300000000,  0.0011869400000000,  0.0005321500000000 ]  - [  -0.0698991600000000,  0.0009170400000000,  0.0009536800000000 ]  - [   0.0002734300000000,  0.0002337600000000, -0.0002946800000000 ]  - [   0.0000068300000000,  0.0000101600000000,  0.0000288200000000 ]  - [  -0.0002276300000000, -0.0000626800000000, -0.0000542800000000 ]  - [   0.0001533900000000,  0.0000581400000000, -0.0000531900000000 ]  - [   0.0018881000000000, -0.0027346700000000, -0.0030465300000000 ]  - [  -0.0002213800000000,  0.0023674000000000, -0.0004404000000000 ]  - [   0.0077666800000000, -0.0002734600000000, -0.0006646000000000 ]  - [   0.0000313600000000, -0.0002015600000000, -0.0000970400000000 ]  - [   0.0005491900000000,  0.0020522100000000,  0.0010480200000000 ]  - [   0.0004059600000000, -0.0020527600000000,  0.0010571100000000 ]  - [  -0.0002940300000000,  0.0001301400000000,  0.0000229100000000 ]  - [   0.0005662800000000, -0.0000355700000000, -0.0001008300000000 ]  - [  -0.0002817200000000, -0.0000424200000000,  0.0005005300000000 ]  - [   0.0000703800000000, -0.0002531600000000,  0.0003290800000000 ]  - [   0.0000967400000000,  0.0001218200000000,  0.0000581500000000 ]  - [   0.0048252600000000,  0.0092056600000000,  0.0096651600000000 ]  - [  -0.0002423800000000,  0.0004511800000000, -0.0001694200000000 ]  - [   0.0003519800000000, -0.0003324300000000, -0.0000898200000000 ]  - [   0.0000264100000000, -0.0000276300000000,  0.0001338200000000 ]  - [  -0.0000474800000000,  0.0000856400000000,  0.0001055100000000 ]  - [   0.0000845000000000, -0.0009736100000000, -0.0007077600000000 ]  - [   0.0004995700000000,  0.0013204100000000, -0.0026039000000000 ]  - [   0.0021410600000000,  0.0003873600000000,  0.0006439800000000 ]  - [  -0.0002098200000000, -0.0003437500000000,  0.0003551900000000 ]  - [   0.0008310300000000, -0.0003617100000000,  0.0001141800000000 ]  - [   0.0001678200000000, -0.0000984900000000,  0.0002272200000000 ]  - [  -0.0002189200000000,  0.0000843700000000, -0.0000331000000000 ]  - [  -0.0000021500000000,  0.0000330100000000, -0.0001353600000000 ]  - [   0.0000380500000000, -0.0000817300000000, -0.0001328800000000 ]  - [  -0.0001397500000000, -0.0001203900000000, -0.0000308300000000 ]  - [   0.0002841100000000,  0.0002571100000000,  0.0000455800000000 ]  - [  -0.0000529700000000,  0.0000864000000000,  0.0000975600000000 ]  - [  -0.0001422100000000, -0.0000105900000000,  0.0000264500000000 ]  - [   0.0000530200000000, -0.0002286400000000, -0.0005643600000000 ]  - [   0.0008547400000000, -0.0001867000000000, -0.0001953000000000 ]  - [  -0.0046904100000000,  0.0000125300000000,  0.0000782400000000 ]  - [  -0.0000109900000000, -0.0000821700000000, -0.0002108700000000 ]  - [  -0.0000766400000000,  0.0001194000000000, -0.0000814000000000 ]  - [   0.0000185800000000, -0.0000852500000000,  0.0000821500000000 ]  - [   0.0007104800000000,  0.0000184300000000, -0.0000194300000000 ]  - [   0.0001090900000000,  0.0000788100000000,  0.0003336600000000 ]  - [  -0.0000872000000000, -0.0000802200000000,  0.0000063200000000 ]  - [   0.0001627700000000,  0.0000458500000000,  0.0000739500000000 ]  - [  -0.0001054300000000, -0.0000772700000000,  0.0000132900000000 ]  - [  -0.0001302700000000, -0.0000443600000000,  0.0001109200000000 ]  - [   0.0007136700000000, -0.0002541800000000,  0.0001630300000000 ]  - [  -0.0005838000000000,  0.0000708200000000, -0.0000936400000000 ]  - [   0.0001890300000000,  0.0001311200000000, -0.0000499000000000 ]  - [  -0.0000136500000000,  0.0002090600000000, -0.0003310900000000 ]  - [  -0.0000974300000000, -0.0000278900000000, -0.0002607400000000 ]  - [   0.0023417700000000, -0.0005528400000000, -0.0007959100000000 ]  - [   0.0027789200000000, -0.0083410400000000, -0.0085099500000000 ]  - [   0.0000501000000000,  0.0000622000000000,  0.0000141500000000 ]  - [  -0.0001015900000000, -0.0001081900000000,  0.0001283700000000 ]  - [  -0.0001908200000000, -0.0001488900000000, -0.0000105200000000 ]  - [   0.0000265000000000,  0.0001792400000000, -0.0003908700000000 ]  - [   0.0001386200000000, -0.0011395900000000, -0.0000656700000000 ]  - [   0.0197751300000000, -0.0082666300000000,  0.0028247600000000 ]  - [  -0.0002671000000000,  0.0002975100000000,  0.0005079000000000 ]  - [   0.0000829900000000,  0.0003138700000000,  0.0003924500000000 ]  - [   0.0004562500000000, -0.0004811700000000, -0.0005304500000000 ]  - [  -0.0000150300000000, -0.0001546700000000,  0.0001540100000000 ]  - [   0.0092300100000000,  0.0044905700000000, -0.0008305900000000 ]  - [  -0.0003240000000000,  0.0014608700000000, -0.0017880200000000 ]  - [   0.0000369900000000, -0.0000200300000000,  0.0000712900000000 ]  - [   0.0000033100000000, -0.0001352200000000, -0.0001186300000000 ]  - [  -0.0000328200000000,  0.0004053000000000,  0.0003050700000000 ]  - [  -0.0000060600000000,  0.0001564500000000, -0.0000739100000000 ]  - [   0.0000551900000000, -0.0003677700000000, -0.0001865500000000 ]  - [  -0.0001391800000000, -0.0011758100000000,  0.0020643500000000 ]  - [  -0.0000275400000000,  0.0000636500000000, -0.0000067400000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002409700000000,  0.0013455400000000, -0.0005762000000000 ]  - [   0.0000019100000000, -0.0007456400000000,  0.0015744600000000 ]  - [   0.0017868800000000, -0.0001260800000000, -0.0003188500000000 ]  - [  -0.0011410200000000,  0.0001100000000000, -0.0000761700000000 ]  - [  -0.0005607700000000, -0.0004402600000000,  0.0011711500000000 ]  - [  -0.0003806300000000, -0.0000992800000000,  0.0011587500000000 ]  - [  -0.0223245800000000, -0.0032390200000000, -0.0002598900000000 ]  - [   0.0028477000000000,  0.0000811300000000, -0.0003627500000000 ]  - [  -0.0001067300000000,  0.0001666900000000, -0.0000479200000000 ]  - [  -0.0002202300000000,  0.0000911100000000,  0.0001520500000000 ]  - [  -0.0000441000000000, -0.0002041600000000, -0.0000474100000000 ]  - [   0.0001221000000000,  0.0000434700000000,  0.0000781200000000 ]  - [   0.0007196500000000, -0.0001859800000000,  0.0003495900000000 ]  - [  -0.0004138000000000,  0.0000283800000000, -0.0005520600000000 ]  - [   0.0000355700000000,  0.0000783100000000,  0.0000333800000000 ]  - [  -0.0001573800000000, -0.0000898000000000,  0.0000116100000000 ]  - [   0.0000233200000000,  0.0000263700000000,  0.0001038000000000 ]  - [   0.0000055200000000, -0.0000557500000000,  0.0000280000000000 ]  - [   0.0002641200000000, -0.0001738800000000, -0.0001400000000000 ]  - [  -0.0003506100000000,  0.0006076400000000, -0.0003400900000000 ]  - [   0.0001992300000000, -0.0005177500000000,  0.0002695300000000 ]  - [  -0.0005583000000000, -0.0003533000000000,  0.0003104500000000 ]  - [  -0.0004715300000000,  0.0007519500000000, -0.0024455200000000 ]  - [   0.0009564100000000, -0.0009575400000000, -0.0007200100000000 ]  - [   0.0693255100000000, -0.0001361900000000, -0.0017418900000000 ]  - [  -0.0004165800000000, -0.0004155300000000,  0.0004076500000000 ]  - [   0.0001293600000000,  0.0001770700000000,  0.0000798000000000 ]  - [   0.0000431600000000, -0.0000802000000000, -0.0000612300000000 ]  - [   0.0000328600000000,  0.0000830100000000, -0.0000609600000000 ]  - [  -0.0017127700000000,  0.0025475100000000,  0.0029150000000000 ]  - [   0.0000881100000000, -0.0022111000000000,  0.0003294700000000 ]  - [  -0.0075844600000000,  0.0001276000000000,  0.0007354600000000 ]  - [   0.0001530900000000,  0.0000595400000000, -0.0000232200000000 ]  - [  -0.0004078300000000, -0.0018516900000000, -0.0011519900000000 ]  - [  -0.0005570000000000,  0.0018512000000000, -0.0011677100000000 ]  - [   0.0004758600000000,  0.0000033800000000,  0.0000879700000000 ]  - [  -0.0007530100000000, -0.0000964500000000,  0.0002075000000000 ]  - [   0.0001426200000000,  0.0002246100000000, -0.0003904800000000 ]  - [   0.0000638100000000,  0.0000748700000000, -0.0002196900000000 ]  - [  -0.0002811200000000,  0.0000178500000000, -0.0001672300000000 ]  - [  -0.0046189500000000, -0.0090990600000000, -0.0098595500000000 ]  - [   0.0000503600000000, -0.0002260900000000, -0.0000113700000000 ]  - [  -0.0001452500000000,  0.0000950500000000, -0.0001050800000000 ]  - [   0.0001898900000000, -0.0001598600000000,  0.0000443800000000 ]  - [  -0.0001800400000000,  0.0001098600000000,  0.0000737200000000 ]  - [   0.0001193800000000,  0.0012234600000000,  0.0008923200000000 ]  - [  -0.0006817700000000, -0.0015493200000000,  0.0027843300000000 ]  - [  -0.0023778700000000, -0.0005997600000000, -0.0008388300000000 ]  - [   0.0004388600000000,  0.0005423100000000, -0.0001797100000000 ]  - [  -0.0010398800000000,  0.0001773300000000,  0.0000649000000000 ]  - [   0.0000260900000000, -0.0001249000000000, -0.0000459100000000 ]  - [   0.0000370300000000,  0.0001313700000000,  0.0002237200000000 ]  - [  -0.0002192300000000,  0.0001614200000000, -0.0000389300000000 ]  - [   0.0001820300000000, -0.0001116200000000, -0.0000455100000000 ]  - [  -0.0000508700000000, -0.0001025400000000, -0.0001418200000000 ]  - [  -0.0000896200000000, -0.0000325400000000, -0.0002198000000000 ]  - [  -0.0001317800000000,  0.0000522800000000,  0.0000175500000000 ]  - [  -0.0000012600000000, -0.0001773300000000,  0.0000884200000000 ]  - [   0.0000875600000000,  0.0004208000000000,  0.0006833600000000 ]  - [  -0.0010368300000000,  0.0000553400000000,  0.0000772800000000 ]  - [   0.0048745300000000,  0.0001540800000000, -0.0000811200000000 ]  - [   0.0001536900000000, -0.0001013500000000,  0.0000941700000000 ]  - [  -0.0000683700000000,  0.0000643800000000, -0.0000304200000000 ]  - [   0.0001682100000000, -0.0000610900000000,  0.0000409700000000 ]  - [  -0.0005238500000000, -0.0001656300000000, -0.0000947900000000 ]  - [   0.0000396300000000,  0.0001055500000000, -0.0004521700000000 ]  - [  -0.0000544500000000, -0.0001072000000000, -0.0001239100000000 ]  - [   0.0000220200000000,  0.0000945800000000,  0.0000389100000000 ]  - [  -0.0000796100000000, -0.0000729500000000,  0.0001081200000000 ]  - [  -0.0000083700000000,  0.0002224000000000,  0.0000111600000000 ]  - [  -0.0005706200000000,  0.0000739200000000, -0.0000377100000000 ]  - [   0.0003996300000000,  0.0000710100000000, -0.0000201000000000 ]  - [   0.0000412400000000,  0.0000644600000000, -0.0001258100000000 ]  - [  -0.0001818800000000,  0.0000146700000000,  0.0001591600000000 ]  - [   0.0002867800000000, -0.0001882900000000,  0.0000905300000000 ]  - [  -0.0021011700000000,  0.0003412500000000,  0.0009589700000000 ]  - [  -0.0029911700000000,  0.0084497300000000,  0.0086752500000000 ]  - [   0.0001404800000000,  0.0001611200000000,  0.0001628300000000 ]  - [  -0.0000894500000000, -0.0001095500000000,  0.0000511300000000 ]  - [  -0.0000289400000000, -0.0000445500000000, -0.0001647800000000 ]  - [  -0.0000261300000000, -0.0001813700000000,  0.0003802600000000 ]  - [  -0.0001398000000000,  0.0011630100000000,  0.0000651500000000 ]  - [  -0.0185408400000000,  0.0078776900000000, -0.0025361800000000 ]  - [   0.0002639300000000, -0.0002921200000000, -0.0005171000000000 ]  - [  -0.0000851900000000, -0.0003164200000000, -0.0003810000000000 ]  - [  -0.0004476900000000,  0.0004834800000000,  0.0005110600000000 ]  - [   0.0000199600000000,  0.0001535200000000, -0.0001588400000000 ]  - [  -0.0101912600000000, -0.0047786900000000,  0.0010580800000000 ]  - [   0.0002770900000000, -0.0014591200000000,  0.0017904400000000 ]  - [  -0.0000329900000000,  0.0000238900000000, -0.0000767900000000 ]  - [  -0.0000067000000000,  0.0001350000000000,  0.0001157000000000 ]  - [   0.0000309800000000, -0.0004068000000000, -0.0002985700000000 ]  - [   0.0000006000000000, -0.0001566900000000,  0.0000657600000000 ]  - [  -0.0000534600000000,  0.0003644600000000,  0.0001887400000000 ]  - [   0.0001816500000000,  0.0011810600000000, -0.0020594400000000 ]  - [   0.0000303100000000, -0.0000612700000000, -0.0000036200000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0003561400000000,  0.0004132600000000,  0.0004308200000000 ]  - [   0.0003167800000000,  0.0003486900000000,  0.0009705900000000 ]  - [  -0.0001817800000000, -0.0000768400000000,  0.0000330900000000 ]  - [   0.0001431100000000, -0.0008692600000000, -0.0000275400000000 ]  - [  -0.0003107000000000, -0.0016975100000000,  0.0004718200000000 ]  - [  -0.0002428800000000,  0.0014677500000000,  0.0000576100000000 ]  - [   0.0028691000000000,  0.0594599400000000,  0.0584199000000000 ]  - [  -0.0000579000000000,  0.0007973400000000, -0.0000195600000000 ]  - [  -0.0002757200000000,  0.0000738300000000, -0.0000516900000000 ]  - [  -0.0000689000000000, -0.0000609100000000, -0.0001924100000000 ]  - [   0.0000258200000000, -0.0001217100000000, -0.0002262200000000 ]  - [  -0.0000651700000000,  0.0000644100000000, -0.0001911300000000 ]  - [  -0.0003161000000000,  0.0000895500000000, -0.0003467000000000 ]  - [  -0.0003695400000000,  0.0001563300000000, -0.0006778000000000 ]  - [  -0.0000629200000000,  0.0000854900000000, -0.0002169000000000 ]  - [   0.0000147700000000, -0.0001167800000000, -0.0001727700000000 ]  - [   0.0001770300000000,  0.0000236400000000,  0.0003475400000000 ]  - [  -0.0001475400000000, -0.0001111600000000,  0.0002400700000000 ]  - [   0.0000932400000000,  0.0001632200000000, -0.0000514000000000 ]  - [  -0.0002091800000000,  0.0003557100000000, -0.0001809400000000 ]  - [   0.0002803300000000,  0.0014169700000000, -0.0007654600000000 ]  - [   0.0000508900000000,  0.0000568900000000, -0.0000533400000000 ]  - [  -0.0000861100000000, -0.0002528800000000, -0.0002437400000000 ]  - [   0.0016987400000000,  0.0007292000000000,  0.0024897900000000 ]  - [   0.0004410100000000, -0.0770604300000000, -0.0738882100000000 ]  - [  -0.0001833400000000, -0.0001056800000000,  0.0000455500000000 ]  - [   0.0000442300000000,  0.0000224100000000,  0.0000990500000000 ]  - [  -0.0001024200000000, -0.0000372500000000,  0.0000152900000000 ]  - [   0.0001063300000000,  0.0000524000000000,  0.0000889400000000 ]  - [  -0.0036531100000000,  0.0017128400000000,  0.0033879800000000 ]  - [  -0.0001884800000000, -0.0000598100000000, -0.0003553500000000 ]  - [  -0.0001112500000000,  0.0000613700000000,  0.0003387200000000 ]  - [  -0.0000376300000000, -0.0000554200000000,  0.0000728400000000 ]  - [   0.0007182900000000,  0.0005776900000000,  0.0001491600000000 ]  - [  -0.0007173000000000,  0.0003839700000000, -0.0008563000000000 ]  - [   0.0000296300000000,  0.0002262100000000,  0.0001347100000000 ]  - [  -0.0001247400000000,  0.0001921700000000, -0.0002840600000000 ]  - [  -0.0000994400000000,  0.0000324000000000, -0.0001452700000000 ]  - [   0.0004859900000000,  0.0005544000000000,  0.0003327100000000 ]  - [  -0.0000405900000000,  0.0000327300000000,  0.0000271300000000 ]  - [   0.0073064500000000,  0.0020588300000000,  0.0092370100000000 ]  - [  -0.0001311300000000,  0.0000349100000000, -0.0001873100000000 ]  - [  -0.0005485700000000,  0.0006068300000000,  0.0005660800000000 ]  - [   0.0001005900000000, -0.0000658100000000,  0.0002158200000000 ]  - [  -0.0001120000000000,  0.0001106900000000,  0.0001944300000000 ]  - [   0.0001263700000000, -0.0001404400000000, -0.0002181100000000 ]  - [   0.0003613400000000, -0.0003627900000000, -0.0017878000000000 ]  - [  -0.0001944900000000, -0.0005904500000000, -0.0002341700000000 ]  - [  -0.0002046900000000,  0.0010349500000000, -0.0004956700000000 ]  - [   0.0002076600000000,  0.0000725100000000,  0.0000568700000000 ]  - [   0.0000948700000000, -0.0001256900000000,  0.0002485400000000 ]  - [  -0.0002266900000000,  0.0001340100000000,  0.0001128300000000 ]  - [  -0.0000817500000000,  0.0000744300000000, -0.0000021700000000 ]  - [   0.0000814800000000, -0.0001180100000000,  0.0000290700000000 ]  - [  -0.0001164600000000, -0.0000903200000000, -0.0000233200000000 ]  - [   0.0001395000000000,  0.0002220800000000, -0.0000073500000000 ]  - [  -0.0000769200000000,  0.0001207200000000,  0.0001458800000000 ]  - [  -0.0000478500000000, -0.0001553100000000,  0.0001855800000000 ]  - [   0.0001855500000000,  0.0004401100000000,  0.0007531600000000 ]  - [   0.0000277300000000, -0.0004056500000000, -0.0001255200000000 ]  - [   0.0001593000000000, -0.0031752600000000, -0.0037939200000000 ]  - [   0.0001442600000000, -0.0001757900000000,  0.0001710300000000 ]  - [  -0.0000036300000000,  0.0000888300000000, -0.0000034900000000 ]  - [   0.0000829400000000, -0.0000792400000000,  0.0001359200000000 ]  - [   0.0001864900000000,  0.0000881800000000,  0.0000631200000000 ]  - [   0.0000792100000000,  0.0000768300000000,  0.0002765800000000 ]  - [  -0.0000775800000000, -0.0000582500000000, -0.0000287400000000 ]  - [   0.0001182600000000,  0.0001008400000000,  0.0001501800000000 ]  - [  -0.0000917100000000, -0.0000957900000000,  0.0001869600000000 ]  - [  -0.0001021800000000, -0.0001190200000000,  0.0001239300000000 ]  - [   0.0004889000000000, -0.0000891200000000,  0.0002734300000000 ]  - [  -0.0000934600000000,  0.0001803800000000, -0.0002096900000000 ]  - [   0.0001056500000000,  0.0001300300000000,  0.0000481200000000 ]  - [  -0.0001551900000000,  0.0000005300000000,  0.0001829000000000 ]  - [   0.0002545300000000, -0.0002482100000000, -0.0000017000000000 ]  - [   0.0000836600000000, -0.0006151400000000, -0.0000330700000000 ]  - [  -0.0059230200000000,  0.0008415500000000,  0.0084731600000000 ]  - [   0.0001237600000000,  0.0001693100000000,  0.0001821700000000 ]  - [  -0.0000594000000000, -0.0001167500000000,  0.0001292700000000 ]  - [  -0.0001003000000000, -0.0000768000000000, -0.0000067400000000 ]  - [   0.0000740800000000, -0.0003366000000000, -0.0001084900000000 ]  - [   0.0002047400000000, -0.0003135100000000,  0.0004354700000000 ]  - [  -0.0104862400000000,  0.0045991000000000, -0.0011639500000000 ]  - [   0.0000529000000000,  0.0000681900000000, -0.0001329600000000 ]  - [  -0.0002607900000000, -0.0008620100000000,  0.0000582800000000 ]  - [  -0.0003418800000000,  0.0007605500000000, -0.0006345100000000 ]  - [  -0.0001381500000000, -0.0001214800000000, -0.0002872900000000 ]  - [   0.0084868400000000,  0.0051898800000000,  0.0001652400000000 ]  - [   0.0003774200000000,  0.0017217200000000, -0.0010239700000000 ]  - [  -0.0000618600000000,  0.0000120600000000, -0.0002396400000000 ]  - [  -0.0000216300000000, -0.0001214600000000, -0.0002110100000000 ]  - [  -0.0003131900000000, -0.0004318900000000,  0.0002976100000000 ]  - [   0.0000409900000000,  0.0001517800000000, -0.0002476000000000 ]  - [   0.0003129300000000, -0.0004084800000000,  0.0002350900000000 ]  - [  -0.0002679300000000,  0.0015314800000000, -0.0010941900000000 ]  - [   0.0000316100000000, -0.0000472600000000, -0.0002378800000000 ]- atom:   25  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0005754400000000, -0.0004344700000000, -0.0004460400000000 ]  - [  -0.0005256900000000, -0.0003453700000000, -0.0009583500000000 ]  - [   0.0001792200000000, -0.0001407300000000, -0.0000262200000000 ]  - [  -0.0001436600000000,  0.0010743600000000,  0.0000255000000000 ]  - [   0.0005206400000000,  0.0016746900000000, -0.0004694600000000 ]  - [   0.0004490000000000, -0.0014599500000000, -0.0000308100000000 ]  - [  -0.0028789800000000, -0.0598507600000000, -0.0603751900000000 ]  - [   0.0000523500000000, -0.0010088400000000,  0.0000003500000000 ]  - [   0.0000585700000000, -0.0000804800000000,  0.0000544700000000 ]  - [  -0.0001433600000000,  0.0000642000000000,  0.0001955200000000 ]  - [  -0.0000252200000000, -0.0000897400000000,  0.0002229200000000 ]  - [   0.0000587500000000,  0.0001541400000000,  0.0001913100000000 ]  - [   0.0005247700000000, -0.0000912600000000,  0.0003508900000000 ]  - [   0.0005840400000000, -0.0001583300000000,  0.0006794100000000 ]  - [   0.0000623100000000,  0.0001255300000000,  0.0002186400000000 ]  - [  -0.0000102400000000, -0.0000976200000000,  0.0001698000000000 ]  - [   0.0000506800000000,  0.0001788700000000, -0.0001696300000000 ]  - [  -0.0000770100000000, -0.0000884300000000, -0.0000665100000000 ]  - [   0.0001135400000000, -0.0003894100000000,  0.0002256000000000 ]  - [   0.0000084500000000, -0.0001301300000000,  0.0003569200000000 ]  - [  -0.0004970600000000, -0.0011952900000000,  0.0005788300000000 ]  - [   0.0001709600000000, -0.0002570000000000, -0.0001190200000000 ]  - [  -0.0001148300000000,  0.0000257100000000,  0.0000653800000000 ]  - [  -0.0014692400000000, -0.0005232500000000, -0.0026263400000000 ]  - [  -0.0006080100000000,  0.0775961300000000,  0.0761090200000000 ]  - [   0.0000565400000000, -0.0000685900000000,  0.0000573900000000 ]  - [   0.0000827800000000,  0.0001614400000000,  0.0000081700000000 ]  - [  -0.0000822000000000, -0.0000969100000000, -0.0001283300000000 ]  - [   0.0000788200000000,  0.0000812900000000, -0.0002004600000000 ]  - [   0.0037582700000000, -0.0018863100000000, -0.0034994700000000 ]  - [   0.0000621200000000,  0.0002501400000000,  0.0002484600000000 ]  - [   0.0002863600000000, -0.0001906700000000, -0.0002280400000000 ]  - [   0.0002211500000000, -0.0000797800000000, -0.0001883100000000 ]  - [  -0.0005842900000000, -0.0003894500000000, -0.0002529200000000 ]  - [   0.0005862100000000, -0.0005696500000000,  0.0007473500000000 ]  - [   0.0001541000000000, -0.0000987300000000, -0.0000249000000000 ]  - [  -0.0000618600000000, -0.0003171600000000,  0.0003909800000000 ]  - [  -0.0000288500000000,  0.0001528100000000,  0.0002485000000000 ]  - [  -0.0003592800000000, -0.0007298300000000, -0.0002293100000000 ]  - [  -0.0001421600000000,  0.0000982100000000, -0.0001363300000000 ]  - [  -0.0071831300000000, -0.0018788200000000, -0.0095280200000000 ]  - [  -0.0000701000000000,  0.0001979400000000,  0.0000070000000000 ]  - [   0.0007444600000000, -0.0008292000000000, -0.0007387700000000 ]  - [   0.0001167500000000, -0.0001296900000000, -0.0000400700000000 ]  - [  -0.0001149400000000,  0.0000922800000000, -0.0000181900000000 ]  - [   0.0000774900000000,  0.0003649600000000,  0.0003925600000000 ]  - [  -0.0005460500000000,  0.0001617600000000,  0.0019543400000000 ]  - [  -0.0000295400000000,  0.0003820800000000,  0.0000610900000000 ]  - [   0.0004216500000000, -0.0008129100000000,  0.0006642000000000 ]  - [  -0.0004278100000000, -0.0002683500000000,  0.0001232200000000 ]  - [   0.0001053700000000, -0.0000978000000000, -0.0000700900000000 ]  - [   0.0000295200000000,  0.0000859900000000,  0.0000669200000000 ]  - [  -0.0001397700000000,  0.0001263300000000, -0.0001753800000000 ]  - [   0.0001389900000000, -0.0000830800000000, -0.0002089500000000 ]  - [  -0.0000826100000000, -0.0001308400000000, -0.0001501400000000 ]  - [   0.0000614800000000,  0.0000015200000000, -0.0001693800000000 ]  - [  -0.0001082200000000,  0.0000087600000000, -0.0000365300000000 ]  - [  -0.0000850300000000, -0.0000315700000000, -0.0000762300000000 ]  - [  -0.0000549500000000, -0.0002510300000000, -0.0006400700000000 ]  - [  -0.0002115700000000,  0.0002854100000000,  0.0000248500000000 ]  - [   0.0000152900000000,  0.0033243500000000,  0.0037059700000000 ]  - [  -0.0000100700000000, -0.0000090800000000, -0.0002854900000000 ]  - [  -0.0001307500000000,  0.0000956800000000, -0.0001053700000000 ]  - [   0.0001039800000000, -0.0000552700000000, -0.0000210500000000 ]  - [  -0.0000000900000000, -0.0002246200000000, -0.0001712400000000 ]  - [   0.0000578500000000,  0.0001073600000000, -0.0003906400000000 ]  - [  -0.0000563500000000, -0.0001261800000000, -0.0000852700000000 ]  - [   0.0000673400000000,  0.0000298000000000, -0.0000434800000000 ]  - [  -0.0000931100000000, -0.0000425400000000, -0.0000743600000000 ]  - [  -0.0000297400000000,  0.0003032300000000, -0.0000088400000000 ]  - [  -0.0003568600000000, -0.0000939300000000, -0.0001568800000000 ]  - [  -0.0000908800000000, -0.0000466800000000,  0.0001029400000000 ]  - [   0.0001238500000000,  0.0000727600000000, -0.0002256600000000 ]  - [  -0.0000459900000000,  0.0002229500000000, -0.0003583700000000 ]  - [  -0.0000552300000000,  0.0000285700000000, -0.0001712200000000 ]  - [   0.0001462800000000,  0.0004054800000000,  0.0002106500000000 ]  - [   0.0057860100000000, -0.0006681400000000, -0.0083966600000000 ]  - [   0.0000744500000000,  0.0000528300000000, -0.0000067100000000 ]  - [  -0.0001388100000000, -0.0001012800000000,  0.0000469100000000 ]  - [  -0.0001195800000000, -0.0001233900000000, -0.0001701200000000 ]  - [  -0.0000712200000000,  0.0003317400000000,  0.0001052300000000 ]  - [  -0.0002050500000000,  0.0003092500000000, -0.0004390700000000 ]  - [   0.0105280500000000, -0.0044950500000000,  0.0011675300000000 ]  - [  -0.0000580000000000, -0.0000571400000000,  0.0001379800000000 ]  - [   0.0002628100000000,  0.0008522400000000, -0.0000603600000000 ]  - [   0.0003382100000000, -0.0007486400000000,  0.0006183000000000 ]  - [   0.0001378000000000,  0.0001141100000000,  0.0002847700000000 ]  - [  -0.0085150300000000, -0.0051062000000000, -0.0001602100000000 ]  - [  -0.0003871000000000, -0.0017271800000000,  0.0010280900000000 ]  - [   0.0000662700000000, -0.0000118600000000,  0.0002386000000000 ]  - [   0.0000179200000000,  0.0001212600000000,  0.0002103300000000 ]  - [   0.0003110700000000,  0.0004306300000000, -0.0002921300000000 ]  - [  -0.0000450200000000, -0.0001510100000000,  0.0002461300000000 ]  - [  -0.0003097800000000,  0.0004078800000000, -0.0002300100000000 ]  - [   0.0002783300000000, -0.0015325900000000,  0.0011010100000000 ]  - [  -0.0000310900000000,  0.0000475700000000,  0.0002365300000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0008639200000000,  0.0017069600000000,  0.0009942300000000 ]  - [  -0.0001789100000000, -0.0001022100000000, -0.0009736600000000 ]  - [   0.0000072200000000, -0.0001032700000000,  0.0005275600000000 ]  - [   0.0000950100000000, -0.0001085100000000,  0.0008560400000000 ]  - [   0.0001791500000000, -0.0000376900000000, -0.0006676100000000 ]  - [  -0.0006520100000000,  0.0012446000000000, -0.0013777300000000 ]  - [   0.0014673600000000,  0.0583778100000000,  0.0964014500000000 ]  - [  -0.0000785100000000, -0.0012492400000000,  0.0024299400000000 ]  - [  -0.0001017400000000, -0.0000539500000000, -0.0006013500000000 ]  - [  -0.0006730200000000,  0.0011136800000000, -0.0000322600000000 ]  - [   0.0000493800000000, -0.0000810600000000, -0.0006894400000000 ]  - [   0.0000089400000000,  0.0001088600000000, -0.0006070900000000 ]  - [  -0.0000548100000000, -0.0000660700000000, -0.0005510300000000 ]  - [   0.0002915800000000, -0.0006533000000000, -0.0003080100000000 ]  - [  -0.0001143100000000,  0.0001742800000000, -0.0007022900000000 ]  - [   0.0000085600000000, -0.0001019500000000, -0.0005160600000000 ]  - [   0.0001489100000000,  0.0000782800000000,  0.0004847800000000 ]  - [  -0.0001054800000000, -0.0000671200000000,  0.0004809600000000 ]  - [   0.0000971200000000, -0.0000229200000000,  0.0001643400000000 ]  - [   0.0000360900000000, -0.0001064300000000,  0.0003671600000000 ]  - [  -0.0002681000000000, -0.0001424100000000, -0.0005300800000000 ]  - [  -0.0002458400000000, -0.0000182700000000, -0.0003561300000000 ]  - [  -0.0001547900000000, -0.0000850900000000,  0.0001859800000000 ]  - [   0.0013901700000000,  0.0009058400000000,  0.0056827300000000 ]  - [   0.0014112900000000, -0.0731713000000000, -0.1347020300000000 ]  - [  -0.0007699700000000, -0.0007181100000000,  0.0003796900000000 ]  - [   0.0001986000000000,  0.0001231800000000,  0.0001490100000000 ]  - [  -0.0000958400000000,  0.0000026300000000,  0.0002036300000000 ]  - [   0.0000960400000000, -0.0000761900000000,  0.0003675400000000 ]  - [  -0.0033924900000000,  0.0029068700000000,  0.0032048200000000 ]  - [  -0.0003666900000000, -0.0002895200000000, -0.0001606600000000 ]  - [   0.0007931300000000, -0.0003528700000000, -0.0021677600000000 ]  - [   0.0000572300000000,  0.0000609500000000,  0.0002432100000000 ]  - [   0.0008698300000000,  0.0012037200000000,  0.0007137600000000 ]  - [   0.0001331200000000, -0.0011902700000000,  0.0007083100000000 ]  - [   0.0001256800000000,  0.0001453800000000, -0.0002918400000000 ]  - [  -0.0002483600000000,  0.0002695200000000, -0.0005672200000000 ]  - [  -0.0001324300000000,  0.0000451900000000,  0.0001727200000000 ]  - [   0.0002769900000000,  0.0000002900000000,  0.0002684200000000 ]  - [  -0.0002070100000000, -0.0000141100000000,  0.0002229900000000 ]  - [   0.0040349400000000,  0.0042481100000000,  0.0020634600000000 ]  - [  -0.0001042200000000, -0.0001237900000000, -0.0001497000000000 ]  - [  -0.0006168100000000,  0.0008398200000000,  0.0009230200000000 ]  - [   0.0001306700000000, -0.0000830700000000,  0.0004368900000000 ]  - [  -0.0001235000000000,  0.0000764900000000,  0.0004672900000000 ]  - [   0.0000777700000000,  0.0000919400000000,  0.0002581700000000 ]  - [  -0.0022932800000000, -0.0025036800000000,  0.0032450200000000 ]  - [   0.0002322200000000,  0.0003782000000000, -0.0011438300000000 ]  - [   0.0001561800000000, -0.0001842500000000, -0.0003798800000000 ]  - [   0.0003584300000000, -0.0000492000000000, -0.0003410600000000 ]  - [   0.0001724100000000, -0.0000003200000000,  0.0003794400000000 ]  - [   0.0007552000000000, -0.0003461200000000,  0.0013124500000000 ]  - [  -0.0000835900000000,  0.0001357300000000,  0.0003633000000000 ]  - [   0.0001165900000000, -0.0001200400000000,  0.0003351900000000 ]  - [  -0.0000615500000000, -0.0003025000000000,  0.0000346600000000 ]  - [   0.0001573600000000,  0.0002347700000000,  0.0001202700000000 ]  - [  -0.0000541700000000,  0.0001581700000000,  0.0003889600000000 ]  - [  -0.0001138800000000, -0.0001184900000000,  0.0001510200000000 ]  - [   0.0000624500000000,  0.0004432700000000,  0.0003801900000000 ]  - [   0.0000419400000000, -0.0001385300000000, -0.0007748100000000 ]  - [   0.0001702100000000,  0.0037856700000000,  0.0115941300000000 ]  - [  -0.0001576300000000,  0.0000580800000000,  0.0003139100000000 ]  - [  -0.0000184900000000,  0.0000673600000000,  0.0001355100000000 ]  - [   0.0000742200000000, -0.0001469900000000,  0.0003156600000000 ]  - [   0.0001308700000000,  0.0000445900000000, -0.0001078200000000 ]  - [   0.0000423700000000,  0.0001572000000000,  0.0002345800000000 ]  - [   0.0002627200000000, -0.0004829700000000,  0.0002340000000000 ]  - [   0.0000756000000000,  0.0001640800000000,  0.0003446900000000 ]  - [  -0.0001399500000000, -0.0002008400000000,  0.0004439400000000 ]  - [   0.0001276300000000, -0.0003501300000000,  0.0001762900000000 ]  - [   0.0003492400000000,  0.0001796400000000,  0.0002783900000000 ]  - [  -0.0000564900000000,  0.0002251000000000, -0.0003652700000000 ]  - [   0.0000540200000000,  0.0000756200000000,  0.0002572900000000 ]  - [  -0.0001756500000000,  0.0000238700000000,  0.0002384600000000 ]  - [  -0.0002409500000000,  0.0003156000000000,  0.0004471000000000 ]  - [  -0.0003683000000000,  0.0002631400000000, -0.0009385000000000 ]  - [  -0.0038445300000000,  0.0043359200000000,  0.0025698000000000 ]  - [   0.0000939600000000,  0.0002877900000000,  0.0002148000000000 ]  - [  -0.0001679000000000, -0.0002829800000000,  0.0003537000000000 ]  - [  -0.0000849500000000, -0.0001021700000000,  0.0002146500000000 ]  - [   0.0001107100000000, -0.0000261800000000, -0.0005090400000000 ]  - [   0.0001353100000000, -0.0004197000000000,  0.0014124500000000 ]  - [  -0.0002577300000000,  0.0003387700000000,  0.0039729700000000 ]  - [   0.0003380100000000, -0.0004862400000000, -0.0010426400000000 ]  - [  -0.0002091500000000, -0.0001765200000000,  0.0012358800000000 ]  - [  -0.0000562800000000,  0.0001302300000000, -0.0005655900000000 ]  - [  -0.0002538100000000,  0.0000926300000000, -0.0008518900000000 ]  - [   0.0007159100000000,  0.0000616600000000,  0.0052362900000000 ]  - [  -0.0031473900000000, -0.0000411000000000, -0.0003339600000000 ]  - [   0.0001103700000000,  0.0001710400000000, -0.0007442200000000 ]  - [   0.0000326300000000,  0.0000744100000000, -0.0006171900000000 ]  - [  -0.0001397500000000, -0.0001382500000000,  0.0003357100000000 ]  - [  -0.0001972400000000, -0.0003068300000000, -0.0011080400000000 ]  - [   0.0001072600000000, -0.0001725200000000,  0.0002813700000000 ]  - [   0.0030009900000000,  0.0002477300000000, -0.0004432400000000 ]  - [  -0.0000259800000000, -0.0000593600000000, -0.0006912600000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0010768100000000, -0.0017063200000000, -0.0009811500000000 ]  - [  -0.0000392700000000,  0.0000940400000000,  0.0009772500000000 ]  - [  -0.0000067200000000, -0.0001181800000000, -0.0005250300000000 ]  - [  -0.0000943900000000,  0.0003292300000000, -0.0008579100000000 ]  - [   0.0000572800000000,  0.0000973100000000,  0.0006549800000000 ]  - [   0.0008474100000000, -0.0012398100000000,  0.0013706800000000 ]  - [  -0.0016507400000000, -0.0614804300000000, -0.1005587100000000 ]  - [   0.0000754600000000,  0.0010350900000000, -0.0024480100000000 ]  - [  -0.0001156100000000,  0.0000480700000000,  0.0006113500000000 ]  - [   0.0004702100000000, -0.0011245200000000,  0.0000334200000000 ]  - [  -0.0000493500000000, -0.0001256500000000,  0.0006928300000000 ]  - [  -0.0000107400000000,  0.0001084500000000,  0.0006129800000000 ]  - [   0.0002622700000000,  0.0000672700000000,  0.0005593800000000 ]  - [  -0.0000833800000000,  0.0006593300000000,  0.0003089800000000 ]  - [   0.0001145500000000,  0.0000358400000000,  0.0007051000000000 ]  - [  -0.0000052200000000, -0.0001099600000000,  0.0005171600000000 ]  - [   0.0000761600000000,  0.0001245700000000, -0.0003161600000000 ]  - [  -0.0001176000000000, -0.0001294000000000, -0.0003126500000000 ]  - [   0.0001057300000000, -0.0002182400000000,  0.0000126100000000 ]  - [  -0.0002320600000000,  0.0003308100000000, -0.0001882500000000 ]  - [   0.0000373300000000,  0.0003371000000000,  0.0003614500000000 ]  - [   0.0004650100000000, -0.0001786600000000,  0.0001844200000000 ]  - [  -0.0000448700000000, -0.0001274600000000, -0.0003680500000000 ]  - [  -0.0011953700000000, -0.0006846900000000, -0.0057776500000000 ]  - [  -0.0012837200000000,  0.0768653700000000,  0.1393133100000000 ]  - [   0.0006240500000000,  0.0005303600000000, -0.0002672500000000 ]  - [  -0.0000662000000000,  0.0000608300000000, -0.0000455900000000 ]  - [  -0.0000878000000000, -0.0001410600000000, -0.0003198100000000 ]  - [   0.0000872600000000,  0.0002113900000000, -0.0004799300000000 ]  - [   0.0034931300000000, -0.0030554500000000, -0.0033217400000000 ]  - [   0.0002387500000000,  0.0004820700000000,  0.0000556800000000 ]  - [  -0.0006083600000000,  0.0002172000000000,  0.0022811700000000 ]  - [   0.0001302900000000, -0.0002000500000000, -0.0003683400000000 ]  - [  -0.0007365900000000, -0.0010227600000000, -0.0008127500000000 ]  - [  -0.0002683900000000,  0.0010117000000000, -0.0008192500000000 ]  - [   0.0000600200000000, -0.0000169800000000,  0.0004026900000000 ]  - [   0.0000597900000000, -0.0004033200000000,  0.0006819400000000 ]  - [   0.0000020800000000,  0.0001444000000000, -0.0000657400000000 ]  - [  -0.0001556800000000, -0.0002002100000000, -0.0001711000000000 ]  - [   0.0000185300000000,  0.0001489700000000, -0.0003362600000000 ]  - [  -0.0038752800000000, -0.0041763700000000, -0.0022675600000000 ]  - [  -0.0000926400000000,  0.0003541300000000, -0.0000329200000000 ]  - [   0.0008138000000000, -0.0010643400000000, -0.0010909400000000 ]  - [   0.0000875000000000, -0.0001100000000000, -0.0002629700000000 ]  - [  -0.0001040200000000,  0.0001232200000000, -0.0002928800000000 ]  - [   0.0001203400000000,  0.0001297900000000, -0.0000843800000000 ]  - [   0.0020626000000000,  0.0022328200000000, -0.0030317000000000 ]  - [  -0.0004621900000000, -0.0005800900000000,  0.0009739900000000 ]  - [   0.0000745700000000,  0.0003793400000000,  0.0005639700000000 ]  - [  -0.0005824100000000, -0.0001437700000000,  0.0005243800000000 ]  - [   0.0000232700000000, -0.0002249300000000, -0.0002029000000000 ]  - [  -0.0009611400000000,  0.0005716100000000, -0.0011477700000000 ]  - [  -0.0001405500000000,  0.0000626200000000, -0.0005442100000000 ]  - [   0.0001060400000000, -0.0000780800000000, -0.0005190300000000 ]  - [  -0.0001344900000000,  0.0000843700000000, -0.0002085400000000 ]  - [   0.0000413300000000, -0.0000129100000000, -0.0002970700000000 ]  - [  -0.0001329300000000, -0.0000266700000000, -0.0002808200000000 ]  - [  -0.0000213000000000, -0.0000678300000000, -0.0000403800000000 ]  - [   0.0000743300000000, -0.0002572800000000, -0.0002652600000000 ]  - [  -0.0002295200000000,  0.0000168800000000,  0.0006791300000000 ]  - [   0.0000091100000000, -0.0037160300000000, -0.0120414500000000 ]  - [   0.0002986500000000, -0.0002463400000000, -0.0004321800000000 ]  - [  -0.0001202300000000,  0.0001177300000000, -0.0002476000000000 ]  - [   0.0001142300000000,  0.0000093700000000, -0.0002011900000000 ]  - [   0.0000544600000000, -0.0001892600000000, -0.0000047400000000 ]  - [   0.0000994500000000,  0.0000265800000000, -0.0003526900000000 ]  - [  -0.0004047900000000,  0.0003029600000000, -0.0003531700000000 ]  - [   0.0001096400000000, -0.0000312500000000, -0.0002399100000000 ]  - [  -0.0000439800000000,  0.0000596400000000, -0.0003334500000000 ]  - [  -0.0002654600000000,  0.0005384400000000, -0.0000596300000000 ]  - [  -0.0002140600000000, -0.0003674100000000, -0.0001590700000000 ]  - [  -0.0001291200000000, -0.0000897800000000,  0.0002600000000000 ]  - [   0.0001746700000000,  0.0001225000000000, -0.0004385000000000 ]  - [  -0.0000222400000000,  0.0001995500000000, -0.0004157400000000 ]  - [   0.0004406600000000, -0.0005391100000000, -0.0006220800000000 ]  - [   0.0006016300000000, -0.0004678800000000,  0.0011201400000000 ]  - [   0.0036727700000000, -0.0042336800000000, -0.0023952900000000 ]  - [   0.0001012400000000, -0.0000681400000000, -0.0000390900000000 ]  - [  -0.0000258800000000,  0.0000688500000000, -0.0001801600000000 ]  - [  -0.0001345400000000, -0.0000958800000000, -0.0003952400000000 ]  - [  -0.0001079500000000,  0.0000297800000000,  0.0005119100000000 ]  - [  -0.0001405600000000,  0.0004199400000000, -0.0014122800000000 ]  - [   0.0002141400000000, -0.0003289000000000, -0.0040392800000000 ]  - [  -0.0003416300000000,  0.0004830700000000,  0.0010417100000000 ]  - [   0.0002147400000000,  0.0001773200000000, -0.0012446200000000 ]  - [   0.0000677600000000, -0.0001430600000000,  0.0005928800000000 ]  - [   0.0002507600000000, -0.0000918900000000,  0.0008500200000000 ]  - [  -0.0006978700000000, -0.0000584900000000, -0.0052848600000000 ]  - [   0.0031833700000000,  0.0000478600000000,  0.0003427700000000 ]  - [  -0.0001078900000000, -0.0001707200000000,  0.0007513100000000 ]  - [  -0.0000367100000000, -0.0000752600000000,  0.0006217900000000 ]  - [   0.0001433200000000,  0.0001370100000000, -0.0003403500000000 ]  - [   0.0001951900000000,  0.0003117400000000,  0.0011161700000000 ]  - [  -0.0001103200000000,  0.0001761300000000, -0.0002852400000000 ]  - [  -0.0030326600000000, -0.0002435200000000,  0.0004458400000000 ]  - [   0.0000263500000000,  0.0000593800000000,  0.0006951200000000 ]- atom:   81  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0009319500000000, -0.0021042100000000, -0.0012221600000000 ]  - [  -0.0068555700000000,  0.0074843200000000,  0.0049725200000000 ]  - [  -0.0001276500000000,  0.0003120700000000, -0.0002849300000000 ]  - [  -0.0001252200000000,  0.0005233600000000,  0.0002971700000000 ]  - [  -0.0066594800000000,  0.0075332100000000, -0.0049370500000000 ]  - [   0.0011422200000000, -0.0021197800000000,  0.0012101600000000 ]  - [  -0.0000408600000000,  0.0000067500000000, -0.0000470800000000 ]  - [  -0.0000468100000000, -0.0002016800000000,  0.0000475500000000 ]  - [   0.0001833300000000, -0.0001791100000000,  0.0001491700000000 ]  - [   0.0002681200000000,  0.0004706600000000,  0.0002693000000000 ]  - [  -0.0001451100000000,  0.0001419900000000, -0.0001030800000000 ]  - [  -0.0001529500000000,  0.0003572000000000,  0.0000985200000000 ]  - [   0.0004719100000000,  0.0004732900000000, -0.0002623400000000 ]  - [   0.0003938300000000, -0.0001732700000000, -0.0001428600000000 ]  - [   0.0029885700000000, -0.0075916900000000,  0.0155514500000000 ]  - [   0.0030269700000000, -0.0077071700000000, -0.0154358100000000 ]  - [   0.0003959100000000, -0.0003557500000000,  0.0001797800000000 ]  - [   0.0001710500000000, -0.0005489100000000, -0.0000021200000000 ]  - [   0.0084323000000000, -0.0012490600000000,  0.0013192300000000 ]  - [   0.0083616300000000, -0.0009186100000000, -0.0013537400000000 ]  - [   0.0000569700000000,  0.0001789900000000,  0.0001506300000000 ]  - [   0.0002854000000000, -0.0000228800000000, -0.0003264400000000 ]  - [   0.0012591800000000, -0.0005767400000000, -0.0013710700000000 ]  - [   0.0014587900000000, -0.0003595000000000,  0.0011911000000000 ]  - [  -0.0000658600000000,  0.0001348900000000,  0.0001596400000000 ]  - [  -0.0003830700000000,  0.0010541800000000,  0.0004779600000000 ]  - [  -0.0002463000000000,  0.0012489800000000, -0.0003614600000000 ]  - [   0.0184417100000000,  0.0102350500000000,  0.0002989300000000 ]  - [   0.0198757500000000,  0.0107805400000000, -0.0001599500000000 ]  - [  -0.0003670400000000,  0.0003157800000000,  0.0000856600000000 ]  - [  -0.0004916500000000,  0.0004975800000000, -0.0001896700000000 ]  - [   0.0001184300000000,  0.0000084200000000, -0.0000575100000000 ]  - [   0.0002322600000000,  0.0001390500000000,  0.0000801900000000 ]  - [   0.0017905500000000, -0.0013639000000000, -0.0000093300000000 ]  - [   0.0016582800000000, -0.0015553500000000, -0.0001005100000000 ]  - [  -0.0001759300000000,  0.0000078300000000, -0.0002892600000000 ]  - [  -0.0003578800000000, -0.0001182900000000,  0.0003900500000000 ]  - [   0.0045108300000000, -0.0079753600000000, -0.0002754500000000 ]  - [   0.0045832500000000, -0.0081608400000000,  0.0003902600000000 ]  - [   0.0000471800000000,  0.0002714000000000, -0.0001910100000000 ]  - [   0.0001329700000000,  0.0001286500000000, -0.0000878500000000 ]  - [  -0.0007110700000000,  0.0008220100000000, -0.0001380200000000 ]  - [  -0.0005187900000000,  0.0005997100000000, -0.0000374600000000 ]  - [  -0.0027812100000000,  0.0014477900000000,  0.0026843400000000 ]  - [  -0.0030058100000000,  0.0016441800000000, -0.0025347800000000 ]  - [  -0.0003740600000000, -0.0000418100000000, -0.0003619000000000 ]  - [  -0.0005749600000000, -0.0002723400000000,  0.0005419500000000 ]  - [  -0.0000950200000000, -0.0000733200000000, -0.0000932500000000 ]  - [   0.0000944300000000,  0.0001000000000000,  0.0000128800000000 ]  - [  -0.0001319000000000, -0.0000997500000000,  0.0001657300000000 ]  - [   0.0000180700000000, -0.0000943100000000,  0.0001652300000000 ]  - [  -0.0001794000000000,  0.0001298600000000,  0.0000130400000000 ]  - [  -0.0004601300000000, -0.0003903700000000, -0.0001986900000000 ]  - [  -0.0002456600000000, -0.0005820700000000,  0.0000201300000000 ]  - [  -0.0004178700000000, -0.0002418800000000,  0.0002002000000000 ]  - [  -0.0002247100000000, -0.0000201800000000, -0.0003816900000000 ]  - [  -0.0003902100000000,  0.0004561600000000, -0.0031238400000000 ]  - [  -0.0000547600000000, -0.0000717200000000, -0.0001178700000000 ]  - [   0.0000771200000000,  0.0001162700000000,  0.0002269800000000 ]  - [  -0.0000873600000000, -0.0000395300000000, -0.0000863000000000 ]  - [   0.0000960900000000,  0.0000828800000000, -0.0000171500000000 ]  - [   0.0001302700000000,  0.0002015100000000,  0.0004250900000000 ]  - [  -0.0000070600000000,  0.0003869800000000, -0.0005385700000000 ]  - [  -0.0002105500000000,  0.0003006900000000,  0.0032155900000000 ]  - [   0.0001279300000000, -0.0001330600000000,  0.0000529200000000 ]  - [  -0.0002634300000000, -0.0000897700000000, -0.0000296100000000 ]  - [  -0.0004029000000000, -0.0002708900000000, -0.0000869200000000 ]  - [   0.0000620000000000,  0.0003758600000000,  0.0001951000000000 ]  - [  -0.0001240800000000,  0.0002413600000000, -0.0000851900000000 ]  - [  -0.0001864400000000, -0.0000428300000000, -0.0000179300000000 ]  - [  -0.0000558800000000, -0.0002277700000000,  0.0001293500000000 ]  - [  -0.0000579900000000,  0.0000024000000000, -0.0001635000000000 ]  - [   0.0045516500000000,  0.0000401200000000, -0.0032277900000000 ]  - [  -0.0000800500000000,  0.0001380500000000, -0.0000458400000000 ]  - [   0.0001183500000000, -0.0000858700000000, -0.0001305400000000 ]  - [   0.0000752000000000, -0.0000699900000000,  0.0000585100000000 ]  - [  -0.0001592500000000,  0.0001347700000000,  0.0001166000000000 ]  - [   0.0003332600000000,  0.0001476700000000, -0.0000372900000000 ]  - [   0.0001396300000000, -0.0000711000000000,  0.0002124300000000 ]  - [   0.0042597800000000, -0.0001468600000000,  0.0030858700000000 ]  - [  -0.0746846700000000, -0.0000065300000000, -0.0001952400000000 ]  - [   0.0008870800000000,  0.0004237000000000, -0.0000023400000000 ]  - [   0.0004769100000000,  0.0006480400000000,  0.0000028500000000 ]  - [   0.0003297000000000,  0.0007540200000000, -0.0000038600000000 ]  - [  -0.0029951000000000, -0.0032273600000000,  0.0000094800000000 ]  - [  -0.0003610400000000, -0.0024453000000000, -0.0000129100000000 ]  - [   0.0145372000000000, -0.0022011200000000,  0.0000092200000000 ]  - [  -0.0002963900000000,  0.0000357000000000,  0.0000007600000000 ]  - [  -0.0000992200000000,  0.0000008000000000,  0.0000024400000000 ]  - [  -0.0001462300000000, -0.0004240000000000,  0.0000003000000000 ]  - [   0.0031384000000000,  0.0006451400000000,  0.0000042500000000 ]  - [  -0.0000999500000000,  0.0002346900000000,  0.0000045500000000 ]  - [   0.0003430700000000, -0.0001441400000000,  0.0000010400000000 ]  - [   0.0002300900000000, -0.0001852600000000,  0.0000041400000000 ]  - [   0.0000940700000000, -0.0000909800000000,  0.0000041900000000 ]  - [  -0.0046150900000000,  0.0026576100000000, -0.0000052200000000 ]- atom:   81  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0003416800000000, -0.0005613900000000, -0.0017551300000000 ]  - [   0.0048084400000000, -0.0111507700000000,  0.0014772900000000 ]  - [  -0.0003003800000000, -0.0001784400000000,  0.0017320200000000 ]  - [   0.0003003800000000,  0.0001784400000000,  0.0017320200000000 ]  - [  -0.0048084400000000,  0.0111507700000000,  0.0014772900000000 ]  - [  -0.0003416800000000,  0.0005613900000000, -0.0017551300000000 ]  - [   0.0003164800000000,  0.0000021200000000,  0.0011767600000000 ]  - [  -0.0003164800000000, -0.0000021200000000,  0.0011767600000000 ]  - [  -0.0000358900000000, -0.0003024200000000,  0.0017306900000000 ]  - [  -0.0002090600000000, -0.0003146800000000,  0.0011801000000000 ]  - [  -0.0005664100000000, -0.0005541800000000, -0.0017566900000000 ]  - [   0.0005664100000000,  0.0005541800000000, -0.0017566900000000 ]  - [   0.0002090600000000,  0.0003146800000000,  0.0011801000000000 ]  - [   0.0000358900000000,  0.0003024200000000,  0.0017306900000000 ]  - [   0.0112149400000000,  0.0050446100000000,  0.0014353600000000 ]  - [  -0.0112149400000000, -0.0050446100000000,  0.0014353600000000 ]  - [   0.0004819400000000,  0.0003460900000000,  0.0012227900000000 ]  - [  -0.0004819400000000, -0.0003460900000000,  0.0012227900000000 ]  - [   0.0057007300000000, -0.0016919800000000,  0.0066719400000000 ]  - [  -0.0057007300000000,  0.0016919800000000,  0.0066719400000000 ]  - [  -0.0004552900000000, -0.0000428200000000, -0.0014135900000000 ]  - [   0.0004552900000000,  0.0000428200000000, -0.0014135900000000 ]  - [  -0.0007941000000000,  0.0022045300000000,  0.0002244000000000 ]  - [   0.0007941000000000, -0.0022045300000000,  0.0002244000000000 ]  - [  -0.0004771600000000, -0.0000440800000000, -0.0004602000000000 ]  - [  -0.0005032300000000, -0.0001599200000000,  0.0014660600000000 ]  - [   0.0005032300000000,  0.0001599200000000,  0.0014660600000000 ]  - [  -0.0027977500000000, -0.0012296800000000,  0.0039350600000000 ]  - [   0.0027977500000000,  0.0012296800000000,  0.0039350600000000 ]  - [  -0.0002303200000000, -0.0003924900000000,  0.0002863700000000 ]  - [   0.0002303200000000,  0.0003924900000000,  0.0002863700000000 ]  - [   0.0004771600000000,  0.0000440800000000, -0.0004602000000000 ]  - [   0.0000304800000000,  0.0003711900000000,  0.0013577200000000 ]  - [   0.0010936500000000, -0.0016916500000000, -0.0003938400000000 ]  - [  -0.0010936500000000,  0.0016916500000000, -0.0003938400000000 ]  - [  -0.0004203500000000, -0.0000725600000000, -0.0009920800000000 ]  - [   0.0004203500000000,  0.0000725600000000, -0.0009920800000000 ]  - [   0.0011013500000000, -0.0025568100000000,  0.0040748100000000 ]  - [  -0.0011013500000000,  0.0025568100000000,  0.0040748100000000 ]  - [  -0.0000304800000000, -0.0003711900000000,  0.0013577200000000 ]  - [  -0.0000091300000000,  0.0000849900000000, -0.0006994400000000 ]  - [   0.0001415900000000, -0.0002540800000000,  0.0010464300000000 ]  - [  -0.0001415900000000,  0.0002540800000000,  0.0010464300000000 ]  - [   0.0024354000000000,  0.0006113000000000,  0.0004094500000000 ]  - [  -0.0024354000000000, -0.0006113000000000,  0.0004094500000000 ]  - [   0.0004575600000000,  0.0002203000000000,  0.0008741200000000 ]  - [  -0.0004575600000000, -0.0002203000000000,  0.0008741200000000 ]  - [   0.0000091300000000, -0.0000849900000000, -0.0006994400000000 ]  - [  -0.0001576600000000,  0.0000627400000000, -0.0006026800000000 ]  - [   0.0001576600000000, -0.0000627400000000, -0.0006026800000000 ]  - [   0.0001206400000000, -0.0002371900000000, -0.0005210300000000 ]  - [  -0.0001206400000000,  0.0002371900000000, -0.0005210300000000 ]  - [  -0.0000063500000000, -0.0002551100000000,  0.0006977700000000 ]  - [   0.0000063500000000,  0.0002551100000000,  0.0006977700000000 ]  - [   0.0000144200000000, -0.0000325900000000, -0.0010127200000000 ]  - [  -0.0000144200000000,  0.0000325900000000, -0.0010127200000000 ]  - [  -0.0018875900000000, -0.0009587700000000, -0.0002843600000000 ]  - [   0.0001750600000000, -0.0000195100000000, -0.0006939500000000 ]  - [  -0.0001750600000000,  0.0000195100000000, -0.0006939500000000 ]  - [   0.0000248700000000, -0.0002713700000000, -0.0006700500000000 ]  - [  -0.0000248700000000,  0.0002713700000000, -0.0006700500000000 ]  - [   0.0002005100000000, -0.0006058300000000, -0.0010974600000000 ]  - [  -0.0002005100000000,  0.0006058300000000, -0.0010974600000000 ]  - [   0.0018875900000000,  0.0009587700000000, -0.0002843600000000 ]  - [   0.0001674000000000, -0.0003053600000000, -0.0008027300000000 ]  - [   0.0001719400000000, -0.0002942900000000, -0.0005671600000000 ]  - [  -0.0001719400000000,  0.0002942900000000, -0.0005671600000000 ]  - [  -0.0002106900000000,  0.0003593200000000,  0.0003924500000000 ]  - [   0.0002106900000000, -0.0003593200000000,  0.0003924500000000 ]  - [   0.0001480000000000,  0.0002094000000000, -0.0005637100000000 ]  - [  -0.0001480000000000, -0.0002094000000000, -0.0005637100000000 ]  - [  -0.0001674000000000,  0.0003053600000000, -0.0008027300000000 ]  - [  -0.0013088600000000, -0.0057471400000000,  0.0069573100000000 ]  - [  -0.0001434100000000,  0.0003853000000000, -0.0007790700000000 ]  - [   0.0001434100000000, -0.0003853000000000, -0.0007790700000000 ]  - [   0.0001978100000000, -0.0002208700000000, -0.0008355600000000 ]  - [  -0.0001978100000000,  0.0002208700000000, -0.0008355600000000 ]  - [   0.0002482000000000, -0.0002300700000000, -0.0012404700000000 ]  - [  -0.0002482000000000,  0.0002300700000000, -0.0012404700000000 ]  - [   0.0013088600000000,  0.0057471400000000,  0.0069573100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0571344000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003750100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019870900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014618000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065161700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046386700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046138200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003410300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013487300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003758800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019886900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018873700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003400900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018724300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018732900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065288800000000 ]- atom:   85  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007292800000000, -0.0014542500000000,  0.0006502200000000 ]  - [  -0.0070021900000000,  0.0071577700000000, -0.0039042900000000 ]  - [   0.0039826200000000,  0.0069573500000000, -0.0139149200000000 ]  - [   0.0040298500000000,  0.0070717200000000,  0.0138041200000000 ]  - [  -0.0067702600000000,  0.0071744400000000,  0.0038587000000000 ]  - [   0.0009382100000000, -0.0014616400000000, -0.0006425400000000 ]  - [  -0.0002972700000000, -0.0001227900000000,  0.0000164800000000 ]  - [  -0.0003102900000000, -0.0003376600000000, -0.0000176600000000 ]  - [  -0.0008948800000000, -0.0006734400000000,  0.0004697500000000 ]  - [  -0.0000553900000000,  0.0003179500000000, -0.0001715600000000 ]  - [   0.0002004200000000,  0.0000302400000000,  0.0002017900000000 ]  - [   0.0001969100000000,  0.0002409500000000, -0.0002040200000000 ]  - [   0.0001496100000000,  0.0003186100000000,  0.0001731200000000 ]  - [  -0.0006820500000000, -0.0006654200000000, -0.0004675900000000 ]  - [  -0.0002303800000000, -0.0002961500000000,  0.0001707000000000 ]  - [  -0.0002280000000000, -0.0005045500000000, -0.0001733900000000 ]  - [   0.0000659000000000,  0.0000153400000000,  0.0001215000000000 ]  - [  -0.0001623100000000, -0.0001900700000000,  0.0000542500000000 ]  - [   0.0110673300000000,  0.0002354100000000, -0.0070375100000000 ]  - [   0.0109357500000000,  0.0005503800000000,  0.0074407200000000 ]  - [   0.0030577200000000,  0.0005585300000000, -0.0024279300000000 ]  - [   0.0033520800000000,  0.0003292000000000,  0.0022183600000000 ]  - [   0.0013950300000000, -0.0008030300000000,  0.0009173800000000 ]  - [   0.0016000300000000, -0.0005779700000000, -0.0010937800000000 ]  - [  -0.0000122900000000, -0.0002024400000000, -0.0001638900000000 ]  - [  -0.0004705100000000,  0.0002745600000000,  0.0002271800000000 ]  - [  -0.0003480400000000,  0.0004597400000000, -0.0001245800000000 ]  - [   0.0003612500000000,  0.0002762800000000,  0.0000050700000000 ]  - [   0.0005425600000000,  0.0004037100000000, -0.0001166500000000 ]  - [  -0.0007942400000000,  0.0002238600000000,  0.0001207800000000 ]  - [  -0.0009216500000000,  0.0004059000000000, -0.0002320000000000 ]  - [   0.0001797300000000, -0.0003232400000000,  0.0002613900000000 ]  - [   0.0000747200000000, -0.0002028100000000, -0.0003089600000000 ]  - [   0.0051983000000000, -0.0045766900000000, -0.0001235900000000 ]  - [   0.0050957300000000, -0.0046855800000000, -0.0000086900000000 ]  - [   0.0093087300000000, -0.0082820100000000, -0.0007260800000000 ]  - [   0.0101112400000000, -0.0087155400000000,  0.0006805600000000 ]  - [   0.0014718400000000, -0.0010904500000000, -0.0001933200000000 ]  - [   0.0015910000000000, -0.0012647800000000,  0.0002976700000000 ]  - [  -0.0001102200000000, -0.0000742900000000,  0.0001979700000000 ]  - [  -0.0001210200000000,  0.0005786000000000, -0.0001888000000000 ]  - [  -0.0006446800000000,  0.0004240400000000, -0.0002320300000000 ]  - [  -0.0004387000000000,  0.0001939700000000,  0.0000535200000000 ]  - [  -0.0000321700000000, -0.0000107900000000,  0.0001110700000000 ]  - [  -0.0002554300000000,  0.0001911300000000,  0.0000665900000000 ]  - [  -0.0001641800000000,  0.0001847600000000,  0.0003055700000000 ]  - [  -0.0003725400000000, -0.0000473000000000, -0.0001313400000000 ]  - [  -0.0003446600000000,  0.0003756100000000,  0.0000120700000000 ]  - [  -0.0025795100000000, -0.0012943200000000, -0.0020381000000000 ]  - [  -0.0027995900000000, -0.0014968300000000,  0.0022441200000000 ]  - [   0.0000183200000000, -0.0000849700000000, -0.0000152100000000 ]  - [  -0.0001855500000000,  0.0001402200000000,  0.0001946700000000 ]  - [  -0.0000350000000000,  0.0000266700000000,  0.0000262300000000 ]  - [   0.0001895400000000, -0.0001774300000000, -0.0002054600000000 ]  - [  -0.0003259000000000, -0.0002189300000000, -0.0000618800000000 ]  - [  -0.0001221500000000,  0.0000037200000000, -0.0001111300000000 ]  - [  -0.0000961500000000,  0.0001048500000000, -0.0001411400000000 ]  - [   0.0006887400000000,  0.0003906500000000, -0.0000813000000000 ]  - [   0.0008173000000000,  0.0005740600000000,  0.0001955300000000 ]  - [  -0.0000361000000000, -0.0003678100000000, -0.0001590200000000 ]  - [   0.0001446100000000, -0.0002510600000000,  0.0000585300000000 ]  - [   0.0002153000000000,  0.0000634500000000,  0.0002518800000000 ]  - [   0.0000848400000000,  0.0002496400000000, -0.0003626200000000 ]  - [   0.0000896000000000, -0.0000235600000000,  0.0002540000000000 ]  - [  -0.0000638600000000, -0.0003490800000000,  0.0029759100000000 ]  - [   0.0000181100000000,  0.0000292200000000,  0.0000028500000000 ]  - [  -0.0001135800000000, -0.0001532800000000, -0.0001139700000000 ]  - [   0.0000628000000000,  0.0000328700000000,  0.0000778400000000 ]  - [  -0.0001214200000000, -0.0000971800000000,  0.0000307500000000 ]  - [  -0.0001813700000000, -0.0000609400000000, -0.0000334100000000 ]  - [  -0.0000540500000000, -0.0002470600000000,  0.0001474500000000 ]  - [  -0.0002576200000000, -0.0001949500000000, -0.0030623300000000 ]  - [   0.0001314200000000,  0.0001054900000000, -0.0001670500000000 ]  - [   0.0000914100000000, -0.0000146000000000, -0.0002202300000000 ]  - [   0.0002953600000000, -0.0002386100000000,  0.0000443900000000 ]  - [   0.0002042400000000,  0.0004789900000000, -0.0000394800000000 ]  - [  -0.0000311200000000,  0.0006855100000000,  0.0002117600000000 ]  - [   0.0004530500000000,  0.0003079600000000, -0.0001827900000000 ]  - [   0.0002550200000000,  0.0000879300000000,  0.0003628900000000 ]  - [  -0.0000952200000000, -0.0001004100000000, -0.0000088000000000 ]  - [  -0.0029941600000000, -0.0026572100000000,  0.0000029000000000 ]  - [   0.0145365300000000,  0.0024467100000000, -0.0000180200000000 ]  - [  -0.0003624000000000, -0.0021979400000000,  0.0000108700000000 ]  - [  -0.0002999400000000, -0.0001450700000000, -0.0000020300000000 ]  - [  -0.0613203100000000,  0.0082561300000000,  0.0001060900000000 ]  - [   0.0002885900000000,  0.0006188400000000, -0.0000046600000000 ]  - [   0.0007489700000000,  0.0005996400000000,  0.0000007700000000 ]  - [   0.0003428900000000, -0.0000002800000000,  0.0000007000000000 ]  - [   0.0003440700000000, -0.0000369600000000, -0.0000000400000000 ]  - [   0.0000944700000000,  0.0001842000000000, -0.0000007700000000 ]  - [   0.0002290900000000, -0.0000926700000000, -0.0000011500000000 ]  - [  -0.0046179500000000, -0.0032276900000000,  0.0000042100000000 ]  - [  -0.0001255100000000, -0.0000274100000000, -0.0000002100000000 ]  - [   0.0030718600000000, -0.0006191400000000, -0.0000033200000000 ]  - [  -0.0002843500000000,  0.0006009300000000,  0.0000021600000000 ]  - [  -0.0002858100000000,  0.0000005200000000, -0.0000037700000000 ]- atom:   85  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0004605600000000,  0.0001033200000000, -0.0017174600000000 ]  - [  -0.0066752300000000,  0.0133378700000000,  0.0004597400000000 ]  - [  -0.0132642100000000,  0.0064265300000000,  0.0004923800000000 ]  - [   0.0132642100000000, -0.0064265300000000,  0.0004923800000000 ]  - [   0.0066752300000000, -0.0133378700000000,  0.0004597400000000 ]  - [   0.0004605600000000, -0.0001033200000000, -0.0017174600000000 ]  - [   0.0001001900000000, -0.0002533200000000, -0.0017174500000000 ]  - [  -0.0001001900000000,  0.0002533200000000, -0.0017174500000000 ]  - [  -0.0004581400000000,  0.0001410200000000,  0.0018822100000000 ]  - [  -0.0000045600000000, -0.0000395400000000,  0.0015310300000000 ]  - [   0.0000417600000000, -0.0002013800000000,  0.0015289700000000 ]  - [  -0.0000417600000000,  0.0002013800000000,  0.0015289700000000 ]  - [   0.0000045600000000,  0.0000395400000000,  0.0015310300000000 ]  - [   0.0004581400000000, -0.0001410200000000,  0.0018822100000000 ]  - [   0.0001432000000000, -0.0002509800000000,  0.0018842700000000 ]  - [  -0.0001432000000000,  0.0002509800000000,  0.0018842700000000 ]  - [  -0.0000320300000000,  0.0001132500000000, -0.0009359400000000 ]  - [   0.0000320300000000, -0.0001132500000000, -0.0009359400000000 ]  - [  -0.0099169000000000,  0.0001160800000000,  0.0091207000000000 ]  - [   0.0099169000000000, -0.0001160800000000,  0.0091207000000000 ]  - [  -0.0005620400000000,  0.0097772100000000,  0.0084428400000000 ]  - [   0.0005620400000000, -0.0097772100000000,  0.0084428400000000 ]  - [   0.0007804700000000, -0.0027008300000000,  0.0005190200000000 ]  - [  -0.0007804700000000,  0.0027008300000000,  0.0005190200000000 ]  - [   0.0002945600000000,  0.0001229700000000,  0.0012935800000000 ]  - [  -0.0002961300000000, -0.0002798200000000,  0.0003352900000000 ]  - [   0.0002961300000000,  0.0002798200000000,  0.0003352900000000 ]  - [   0.0004337600000000, -0.0006918900000000, -0.0006385900000000 ]  - [  -0.0004337600000000,  0.0006918900000000, -0.0006385900000000 ]  - [   0.0000056200000000, -0.0004799000000000,  0.0011890300000000 ]  - [  -0.0000056200000000,  0.0004799000000000,  0.0011890300000000 ]  - [  -0.0002945600000000, -0.0001229700000000,  0.0012935800000000 ]  - [   0.0002500200000000, -0.0003521800000000, -0.0009092200000000 ]  - [  -0.0000991300000000, -0.0008696600000000,  0.0051940100000000 ]  - [   0.0000991300000000,  0.0008696600000000,  0.0051940100000000 ]  - [   0.0010151600000000,  0.0002278000000000,  0.0053327300000000 ]  - [  -0.0010151600000000, -0.0002278000000000,  0.0053327300000000 ]  - [   0.0010363900000000, -0.0019755700000000, -0.0003928000000000 ]  - [  -0.0010363900000000,  0.0019755700000000, -0.0003928000000000 ]  - [  -0.0002500200000000,  0.0003521800000000, -0.0009092200000000 ]  - [  -0.0000273400000000,  0.0003937100000000,  0.0006059400000000 ]  - [  -0.0004861100000000,  0.0004614700000000,  0.0014135700000000 ]  - [   0.0004861100000000, -0.0004614700000000,  0.0014135700000000 ]  - [   0.0004294500000000, -0.0003144700000000, -0.0007614500000000 ]  - [  -0.0004294500000000,  0.0003144700000000, -0.0007614500000000 ]  - [  -0.0001933200000000,  0.0002576300000000,  0.0007818900000000 ]  - [   0.0001933200000000, -0.0002576300000000,  0.0007818900000000 ]  - [   0.0000273400000000, -0.0003937100000000,  0.0006059400000000 ]  - [  -0.0024693500000000,  0.0009619600000000,  0.0006905300000000 ]  - [   0.0024693500000000, -0.0009619600000000,  0.0006905300000000 ]  - [   0.0000460400000000,  0.0001018400000000, -0.0006838100000000 ]  - [  -0.0000460400000000, -0.0001018400000000, -0.0006838100000000 ]  - [  -0.0003270900000000,  0.0001523500000000, -0.0008617900000000 ]  - [   0.0003270900000000, -0.0001523500000000, -0.0008617900000000 ]  - [  -0.0000852300000000, -0.0002583200000000, -0.0011085200000000 ]  - [   0.0000852300000000,  0.0002583200000000, -0.0011085200000000 ]  - [  -0.0001632700000000, -0.0001830400000000, -0.0010543300000000 ]  - [   0.0005613800000000, -0.0006103500000000, -0.0005179500000000 ]  - [  -0.0005613800000000,  0.0006103500000000, -0.0005179500000000 ]  - [   0.0000943700000000,  0.0001729600000000,  0.0002302600000000 ]  - [  -0.0000943700000000, -0.0001729600000000,  0.0002302600000000 ]  - [   0.0003152900000000, -0.0000228400000000, -0.0011708200000000 ]  - [  -0.0003152900000000,  0.0000228400000000, -0.0011708200000000 ]  - [   0.0001632700000000,  0.0001830400000000, -0.0010543300000000 ]  - [   0.0021487900000000, -0.0011674300000000, -0.0005031200000000 ]  - [   0.0003035300000000,  0.0000900700000000, -0.0007537900000000 ]  - [  -0.0003035300000000, -0.0000900700000000, -0.0007537900000000 ]  - [   0.0000938100000000, -0.0001693300000000, -0.0006394100000000 ]  - [  -0.0000938100000000,  0.0001693300000000, -0.0006394100000000 ]  - [   0.0002201800000000, -0.0000642100000000, -0.0007927400000000 ]  - [  -0.0002201800000000,  0.0000642100000000, -0.0007927400000000 ]  - [  -0.0021487900000000,  0.0011674300000000, -0.0005031200000000 ]  - [  -0.0000738400000000,  0.0001163700000000, -0.0014122400000000 ]  - [   0.0001168300000000, -0.0002050100000000, -0.0009358800000000 ]  - [  -0.0001168300000000,  0.0002050100000000, -0.0009358800000000 ]  - [  -0.0002294200000000,  0.0002853000000000,  0.0015893800000000 ]  - [   0.0002294200000000, -0.0002853000000000,  0.0015893800000000 ]  - [   0.0000828100000000,  0.0002970000000000, -0.0012346700000000 ]  - [  -0.0000828100000000, -0.0002970000000000, -0.0012346700000000 ]  - [   0.0000738400000000, -0.0001163700000000, -0.0014122400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065314800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046360500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0046133100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003366200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0670299300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023812100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002374000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026504200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003420100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018719700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018720300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065149500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019319100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023811900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002406300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027374500000000 ]