# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ed79aa88-9577-4a7b-990b-2c7f8fcac28b/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 LiGa5O8 / P4_332 (212) / materials id 28146](https://mdr.nims.go.jp/datasets/05a400bb-e437-4cb7-a154-4d2bdcb07b48)

## 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: "P4_332"  number: 212  Hall_symbol: "P 4acd 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.218786730000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.218786730000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.218786730000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000  - symbol: O  # 5    coordinates: [  0.873683260000000,  0.884319030000000,  0.380436990000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.130436990000000,  0.865680970000000,  0.123683260000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.630436990000000,  0.634319030000000,  0.876316740000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.865680970000000,  0.123683260000000,  0.130436990000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.134319030000000,  0.623683260000000,  0.369563010000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.123683260000000,  0.130436990000000,  0.865680970000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.376316740000000,  0.869563010000000,  0.365680970000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.380436990000000,  0.873683260000000,  0.884319030000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.880436990000000,  0.626316740000000,  0.115680970000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.619563010000000,  0.373683260000000,  0.615680970000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.626316740000000,  0.115680970000000,  0.880436990000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.615680970000000,  0.619563010000000,  0.373683260000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.115680970000000,  0.880436990000000,  0.626316740000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.112808050000000,  0.612808050000000,  0.887191950000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.884319030000000,  0.380436990000000,  0.873683260000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.373683260000000,  0.615680970000000,  0.619563010000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.126316740000000,  0.384319030000000,  0.119563010000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.384319030000000,  0.119563010000000,  0.126316740000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.876316740000000,  0.630436990000000,  0.634319030000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.623683260000000,  0.369563010000000,  0.134319030000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.387191950000000,  0.387191950000000,  0.387191950000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.137191950000000,  0.362808050000000,  0.637191950000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.637191950000000,  0.137191950000000,  0.362808050000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.362808050000000,  0.637191950000000,  0.137191950000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.612808050000000,  0.887191950000000,  0.112808050000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.887191950000000,  0.112808050000000,  0.612808050000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.634319030000000,  0.876316740000000,  0.630436990000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.862808050000000,  0.862808050000000,  0.862808050000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.119563010000000,  0.126316740000000,  0.384319030000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.869563010000000,  0.365680970000000,  0.376316740000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.369563010000000,  0.134319030000000,  0.623683260000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.365680970000000,  0.376316740000000,  0.869563010000000 ]    mass: 15.999400  - symbol: Ga # 37    coordinates: [  0.125000000000000,  0.365073450000000,  0.884926550000000 ]    mass: 69.723000  - symbol: Ga # 38    coordinates: [  0.253872410000000,  0.253872410000000,  0.253872410000000 ]    mass: 69.723000  - symbol: Ga # 39    coordinates: [  0.003872410000000,  0.496127590000000,  0.503872410000000 ]    mass: 69.723000  - symbol: Ga # 40    coordinates: [  0.496127590000000,  0.503872410000000,  0.003872410000000 ]    mass: 69.723000  - symbol: Ga # 41    coordinates: [  0.503872410000000,  0.003872410000000,  0.496127590000000 ]    mass: 69.723000  - symbol: Ga # 42    coordinates: [  0.753872410000000,  0.246127590000000,  0.746127590000000 ]    mass: 69.723000  - symbol: Ga # 43    coordinates: [  0.246127590000000,  0.746127590000000,  0.753872410000000 ]    mass: 69.723000  - symbol: Ga # 44    coordinates: [  0.746127590000000,  0.753872410000000,  0.246127590000000 ]    mass: 69.723000  - symbol: Ga # 45    coordinates: [  0.996127590000000,  0.996127590000000,  0.996127590000000 ]    mass: 69.723000  - symbol: Ga # 46    coordinates: [  0.625000000000000,  0.134926550000000,  0.115073450000000 ]    mass: 69.723000  - symbol: Ga # 47    coordinates: [  0.615073450000000,  0.875000000000000,  0.865073450000000 ]    mass: 69.723000  - symbol: Ga # 48    coordinates: [  0.634926550000000,  0.384926550000000,  0.375000000000000 ]    mass: 69.723000  - symbol: Ga # 49    coordinates: [  0.365073450000000,  0.884926550000000,  0.125000000000000 ]    mass: 69.723000  - symbol: Ga # 50    coordinates: [  0.884926550000000,  0.125000000000000,  0.365073450000000 ]    mass: 69.723000  - symbol: Ga # 51    coordinates: [  0.115073450000000,  0.625000000000000,  0.134926550000000 ]    mass: 69.723000  - symbol: Ga # 52    coordinates: [  0.384926550000000,  0.375000000000000,  0.634926550000000 ]    mass: 69.723000  - symbol: Ga # 53    coordinates: [  0.865073450000000,  0.615073450000000,  0.875000000000000 ]    mass: 69.723000  - symbol: Ga # 54    coordinates: [  0.134926550000000,  0.115073450000000,  0.625000000000000 ]    mass: 69.723000  - symbol: Ga # 55    coordinates: [  0.375000000000000,  0.634926550000000,  0.384926550000000 ]    mass: 69.723000  - symbol: Ga # 56    coordinates: [  0.875000000000000,  0.865073450000000,  0.615073450000000 ]    mass: 69.723000  reciprocal_lattice: # without 2pi  - [     0.121672460042043,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.121672460042043,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.121672460042043 ] # c*unit_cell:  lattice:  - [     8.218786730000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.218786730000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.218786730000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.873683260000000,  0.884319030000000,  0.380436990000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.130436990000000,  0.865680970000000,  0.123683260000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.630436990000000,  0.634319030000000,  0.876316740000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.865680970000000,  0.123683260000000,  0.130436990000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.134319030000000,  0.623683260000000,  0.369563010000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.123683260000000,  0.130436990000000,  0.865680970000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.376316740000000,  0.869563010000000,  0.365680970000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.380436990000000,  0.873683260000000,  0.884319030000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.880436990000000,  0.626316740000000,  0.115680970000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.619563010000000,  0.373683260000000,  0.615680970000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.626316740000000,  0.115680970000000,  0.880436990000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.615680970000000,  0.619563010000000,  0.373683260000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.115680970000000,  0.880436990000000,  0.626316740000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.112808050000000,  0.612808050000000,  0.887191950000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.884319030000000,  0.380436990000000,  0.873683260000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.373683260000000,  0.615680970000000,  0.619563010000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.126316740000000,  0.384319030000000,  0.119563010000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.384319030000000,  0.119563010000000,  0.126316740000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.876316740000000,  0.630436990000000,  0.634319030000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.623683260000000,  0.369563010000000,  0.134319030000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.387191950000000,  0.387191950000000,  0.387191950000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.137191950000000,  0.362808050000000,  0.637191950000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.637191950000000,  0.137191950000000,  0.362808050000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.362808050000000,  0.637191950000000,  0.137191950000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.612808050000000,  0.887191950000000,  0.112808050000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.887191950000000,  0.112808050000000,  0.612808050000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.634319030000000,  0.876316740000000,  0.630436990000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.862808050000000,  0.862808050000000,  0.862808050000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.119563010000000,  0.126316740000000,  0.384319030000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.869563010000000,  0.365680970000000,  0.376316740000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.369563010000000,  0.134319030000000,  0.623683260000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.365680970000000,  0.376316740000000,  0.869563010000000 ]    mass: 15.999400    reduced_to: 36  - symbol: Ga # 37    coordinates: [  0.125000000000000,  0.365073450000000,  0.884926550000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 38    coordinates: [  0.253872410000000,  0.253872410000000,  0.253872410000000 ]    mass: 69.723000    reduced_to: 38  - symbol: Ga # 39    coordinates: [  0.003872410000000,  0.496127590000000,  0.503872410000000 ]    mass: 69.723000    reduced_to: 39  - symbol: Ga # 40    coordinates: [  0.496127590000000,  0.503872410000000,  0.003872410000000 ]    mass: 69.723000    reduced_to: 40  - symbol: Ga # 41    coordinates: [  0.503872410000000,  0.003872410000000,  0.496127590000000 ]    mass: 69.723000    reduced_to: 41  - symbol: Ga # 42    coordinates: [  0.753872410000000,  0.246127590000000,  0.746127590000000 ]    mass: 69.723000    reduced_to: 42  - symbol: Ga # 43    coordinates: [  0.246127590000000,  0.746127590000000,  0.753872410000000 ]    mass: 69.723000    reduced_to: 43  - symbol: Ga # 44    coordinates: [  0.746127590000000,  0.753872410000000,  0.246127590000000 ]    mass: 69.723000    reduced_to: 44  - symbol: Ga # 45    coordinates: [  0.996127590000000,  0.996127590000000,  0.996127590000000 ]    mass: 69.723000    reduced_to: 45  - symbol: Ga # 46    coordinates: [  0.625000000000000,  0.134926550000000,  0.115073450000000 ]    mass: 69.723000    reduced_to: 46  - symbol: Ga # 47    coordinates: [  0.615073450000000,  0.875000000000000,  0.865073450000000 ]    mass: 69.723000    reduced_to: 47  - symbol: Ga # 48    coordinates: [  0.634926550000000,  0.384926550000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 48  - symbol: Ga # 49    coordinates: [  0.365073450000000,  0.884926550000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 50    coordinates: [  0.884926550000000,  0.125000000000000,  0.365073450000000 ]    mass: 69.723000    reduced_to: 50  - symbol: Ga # 51    coordinates: [  0.115073450000000,  0.625000000000000,  0.134926550000000 ]    mass: 69.723000    reduced_to: 51  - symbol: Ga # 52    coordinates: [  0.384926550000000,  0.375000000000000,  0.634926550000000 ]    mass: 69.723000    reduced_to: 52  - symbol: Ga # 53    coordinates: [  0.865073450000000,  0.615073450000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 53  - symbol: Ga # 54    coordinates: [  0.134926550000000,  0.115073450000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 54  - symbol: Ga # 55    coordinates: [  0.375000000000000,  0.634926550000000,  0.384926550000000 ]    mass: 69.723000    reduced_to: 55  - symbol: Ga # 56    coordinates: [  0.875000000000000,  0.865073450000000,  0.615073450000000 ]    mass: 69.723000    reduced_to: 56supercell:  lattice:  - [     8.218786730000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.218786730000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.218786730000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.873683260000000,  0.884319030000000,  0.380436990000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.130436990000000,  0.865680970000000,  0.123683260000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.630436990000000,  0.634319030000000,  0.876316740000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.865680970000000,  0.123683260000000,  0.130436990000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.134319030000000,  0.623683260000000,  0.369563010000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.123683260000000,  0.130436990000000,  0.865680970000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.376316740000000,  0.869563010000000,  0.365680970000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.380436990000000,  0.873683260000000,  0.884319030000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.880436990000000,  0.626316740000000,  0.115680970000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.619563010000000,  0.373683260000000,  0.615680970000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.626316740000000,  0.115680970000000,  0.880436990000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.615680970000000,  0.619563010000000,  0.373683260000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.115680970000000,  0.880436990000000,  0.626316740000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.112808050000000,  0.612808050000000,  0.887191950000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.884319030000000,  0.380436990000000,  0.873683260000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.373683260000000,  0.615680970000000,  0.619563010000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.126316740000000,  0.384319030000000,  0.119563010000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.384319030000000,  0.119563010000000,  0.126316740000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.876316740000000,  0.630436990000000,  0.634319030000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.623683260000000,  0.369563010000000,  0.134319030000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.387191950000000,  0.387191950000000,  0.387191950000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.137191950000000,  0.362808050000000,  0.637191950000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.637191950000000,  0.137191950000000,  0.362808050000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.362808050000000,  0.637191950000000,  0.137191950000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.612808050000000,  0.887191950000000,  0.112808050000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.887191950000000,  0.112808050000000,  0.612808050000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.634319030000000,  0.876316740000000,  0.630436990000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.862808050000000,  0.862808050000000,  0.862808050000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.119563010000000,  0.126316740000000,  0.384319030000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.869563010000000,  0.365680970000000,  0.376316740000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.369563010000000,  0.134319030000000,  0.623683260000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.365680970000000,  0.376316740000000,  0.869563010000000 ]    mass: 15.999400    reduced_to: 36  - symbol: Ga # 37    coordinates: [  0.125000000000000,  0.365073450000000,  0.884926550000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 38    coordinates: [  0.253872410000000,  0.253872410000000,  0.253872410000000 ]    mass: 69.723000    reduced_to: 38  - symbol: Ga # 39    coordinates: [  0.003872410000000,  0.496127590000000,  0.503872410000000 ]    mass: 69.723000    reduced_to: 39  - symbol: Ga # 40    coordinates: [  0.496127590000000,  0.503872410000000,  0.003872410000000 ]    mass: 69.723000    reduced_to: 40  - symbol: Ga # 41    coordinates: [  0.503872410000000,  0.003872410000000,  0.496127590000000 ]    mass: 69.723000    reduced_to: 41  - symbol: Ga # 42    coordinates: [  0.753872410000000,  0.246127590000000,  0.746127590000000 ]    mass: 69.723000    reduced_to: 42  - symbol: Ga # 43    coordinates: [  0.246127590000000,  0.746127590000000,  0.753872410000000 ]    mass: 69.723000    reduced_to: 43  - symbol: Ga # 44    coordinates: [  0.746127590000000,  0.753872410000000,  0.246127590000000 ]    mass: 69.723000    reduced_to: 44  - symbol: Ga # 45    coordinates: [  0.996127590000000,  0.996127590000000,  0.996127590000000 ]    mass: 69.723000    reduced_to: 45  - symbol: Ga # 46    coordinates: [  0.625000000000000,  0.134926550000000,  0.115073450000000 ]    mass: 69.723000    reduced_to: 46  - symbol: Ga # 47    coordinates: [  0.615073450000000,  0.875000000000000,  0.865073450000000 ]    mass: 69.723000    reduced_to: 47  - symbol: Ga # 48    coordinates: [  0.634926550000000,  0.384926550000000,  0.375000000000000 ]    mass: 69.723000    reduced_to: 48  - symbol: Ga # 49    coordinates: [  0.365073450000000,  0.884926550000000,  0.125000000000000 ]    mass: 69.723000    reduced_to: 49  - symbol: Ga # 50    coordinates: [  0.884926550000000,  0.125000000000000,  0.365073450000000 ]    mass: 69.723000    reduced_to: 50  - symbol: Ga # 51    coordinates: [  0.115073450000000,  0.625000000000000,  0.134926550000000 ]    mass: 69.723000    reduced_to: 51  - symbol: Ga # 52    coordinates: [  0.384926550000000,  0.375000000000000,  0.634926550000000 ]    mass: 69.723000    reduced_to: 52  - symbol: Ga # 53    coordinates: [  0.865073450000000,  0.615073450000000,  0.875000000000000 ]    mass: 69.723000    reduced_to: 53  - symbol: Ga # 54    coordinates: [  0.134926550000000,  0.115073450000000,  0.625000000000000 ]    mass: 69.723000    reduced_to: 54  - symbol: Ga # 55    coordinates: [  0.375000000000000,  0.634926550000000,  0.384926550000000 ]    mass: 69.723000    reduced_to: 55  - symbol: Ga # 56    coordinates: [  0.875000000000000,  0.865073450000000,  0.615073450000000 ]    mass: 69.723000    reduced_to: 56displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0427231300000000, -0.0095057200000000, -0.0095126800000000 ]  - [   0.0000032100000000,  0.0000029000000000,  0.0001055900000000 ]  - [   0.0000000100000000,  0.0001083000000000,  0.0000029600000000 ]  - [   0.0006386700000000, -0.0000024200000000, -0.0000038900000000 ]  - [  -0.0000383600000000, -0.0011996000000000,  0.0010705400000000 ]  - [  -0.0007322300000000,  0.0000257600000000, -0.0001888500000000 ]  - [   0.0056232600000000,  0.0005152200000000, -0.0003338000000000 ]  - [   0.0000835400000000, -0.0001217000000000,  0.0000725600000000 ]  - [  -0.0031735400000000, -0.0003961100000000,  0.0001796800000000 ]  - [  -0.0006361400000000, -0.0001182200000000,  0.0000297700000000 ]  - [   0.0001098400000000,  0.0010685400000000, -0.0012156200000000 ]  - [   0.0003152600000000,  0.0009954500000000,  0.0015166300000000 ]  - [   0.0002424600000000,  0.0000892900000000, -0.0001536000000000 ]  - [   0.0056330000000000, -0.0004440600000000,  0.0004903900000000 ]  - [   0.0006202500000000, -0.0000471900000000, -0.0000826700000000 ]  - [   0.0056229400000000,  0.0005218900000000, -0.0002677200000000 ]  - [  -0.0031945200000000,  0.0001660000000000, -0.0002366500000000 ]  - [  -0.0029675100000000, -0.0001800300000000,  0.0000457600000000 ]  - [  -0.0004154000000000,  0.0012464500000000, -0.0010575900000000 ]  - [   0.0023067000000000, -0.0007675600000000, -0.0005415000000000 ]  - [  -0.0004802900000000,  0.0000547500000000, -0.0001137200000000 ]  - [   0.0001021200000000,  0.0000758600000000,  0.0000330300000000 ]  - [   0.0033518100000000, -0.0005514200000000, -0.0007379500000000 ]  - [   0.0004623900000000, -0.0000849000000000, -0.0000246600000000 ]  - [   0.0000449900000000, -0.0014849300000000, -0.0015034700000000 ]  - [  -0.0030614700000000,  0.0001474400000000, -0.0002761900000000 ]  - [   0.0007087800000000, -0.0000748900000000,  0.0000313800000000 ]  - [   0.0002217600000000, -0.0001482000000000, -0.0001013500000000 ]  - [   0.0007980800000000, -0.0000546800000000,  0.0000177500000000 ]  - [   0.0001410400000000, -0.0000080400000000, -0.0000554900000000 ]  - [   0.0056398900000000, -0.0001549600000000,  0.0005193600000000 ]  - [   0.0001484800000000, -0.0014235800000000, -0.0014031800000000 ]  - [  -0.0007285000000000, -0.0000328400000000,  0.0000503300000000 ]  - [   0.0003358200000000,  0.0015079300000000,  0.0011636200000000 ]  - [   0.0002347900000000, -0.0001286800000000, -0.0000671500000000 ]  - [  -0.0004465900000000, -0.0008931700000000,  0.0012413200000000 ]  - [   0.0020520700000000,  0.0000470500000000,  0.0001999500000000 ]  - [   0.0012314300000000,  0.0005840200000000,  0.0004284200000000 ]  - [   0.0075086100000000, -0.0044201500000000, -0.0039673200000000 ]  - [  -0.0012986100000000, -0.0001426600000000, -0.0016961300000000 ]  - [  -0.0009935400000000, -0.0016721500000000, -0.0004868600000000 ]  - [  -0.0009946900000000, -0.0020311800000000, -0.0004871200000000 ]  - [   0.0071215500000000, -0.0042900600000000, -0.0040697900000000 ]  - [  -0.0013557600000000, -0.0001639900000000, -0.0020052900000000 ]  - [   0.0008966900000000,  0.0000954400000000,  0.0002522400000000 ]  - [  -0.0008681400000000,  0.0000723000000000, -0.0000779300000000 ]  - [  -0.0037925900000000, -0.0006818900000000, -0.0005310700000000 ]  - [  -0.0036516200000000, -0.0003370600000000, -0.0006391900000000 ]  - [   0.0000594900000000,  0.0002861700000000, -0.0000796500000000 ]  - [   0.0002019400000000, -0.0000824100000000,  0.0001398600000000 ]  - [   0.0002181000000000, -0.0000937100000000,  0.0000680300000000 ]  - [   0.0042926900000000,  0.0122351300000000, -0.0000755200000000 ]  - [   0.0041512600000000, -0.0002272600000000,  0.0123441600000000 ]  - [   0.0003686000000000, -0.0000799700000000, -0.0000941100000000 ]  - [   0.0050204700000000, -0.0000768800000000,  0.0123130000000000 ]  - [   0.0050405900000000,  0.0122764000000000, -0.0002285900000000 ]- atom:    5  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000302000000000, -0.0009763000000000,  0.0010770400000000 ]  - [  -0.0005554400000000,  0.0000418200000000, -0.0001090700000000 ]  - [   0.0005422000000000, -0.0003139500000000, -0.0000108200000000 ]  - [   0.0032806800000000,  0.0001993700000000,  0.0003848500000000 ]  - [  -0.0996914800000000, -0.0402041500000000, -0.0384818700000000 ]  - [   0.0045099900000000, -0.0007255100000000, -0.0052642200000000 ]  - [  -0.0003198000000000,  0.0011021200000000,  0.0001564600000000 ]  - [  -0.0040494000000000,  0.0002235000000000, -0.0006433500000000 ]  - [   0.0043239800000000, -0.0048708600000000, -0.0006110300000000 ]  - [   0.0000075300000000,  0.0008596400000000,  0.0005592900000000 ]  - [   0.0042084800000000, -0.0000384800000000, -0.0000052200000000 ]  - [   0.0044200500000000,  0.0004893200000000,  0.0010779500000000 ]  - [  -0.0029818100000000,  0.0009917000000000,  0.0011928900000000 ]  - [  -0.0004137700000000,  0.0004120100000000, -0.0012929000000000 ]  - [  -0.0007796500000000, -0.0016231800000000,  0.0005003200000000 ]  - [   0.0068043800000000,  0.0100356000000000, -0.0009899500000000 ]  - [   0.0093393300000000, -0.0013448300000000,  0.0108241900000000 ]  - [  -0.0002490100000000, -0.0007307400000000,  0.0004670200000000 ]  - [  -0.0008251200000000,  0.0005826900000000,  0.0004883400000000 ]  - [   0.0018081800000000, -0.0005207500000000, -0.0004388200000000 ]  - [   0.0001005200000000,  0.0004493600000000, -0.0008559500000000 ]  - [   0.0027416100000000, -0.0005528700000000, -0.0004124800000000 ]  - [  -0.0024540800000000, -0.0007714900000000,  0.0008182600000000 ]  - [   0.0000127300000000,  0.0001603400000000,  0.0014723400000000 ]  - [   0.0042607800000000,  0.0013052000000000,  0.0000411100000000 ]  - [   0.0003993300000000,  0.0004867000000000,  0.0007649100000000 ]  - [   0.0050084200000000, -0.0105430200000000,  0.0007620600000000 ]  - [   0.0023489900000000, -0.0001623300000000,  0.0000090800000000 ]  - [   0.0063534700000000, -0.0017490400000000,  0.0092570100000000 ]  - [  -0.0055564700000000,  0.0044147800000000,  0.0045343400000000 ]  - [   0.0058447300000000, -0.0002327500000000, -0.0110614600000000 ]  - [  -0.0024997000000000, -0.0003606500000000,  0.0002512300000000 ]  - [   0.0096389000000000,  0.0108261400000000, -0.0011587600000000 ]  - [  -0.0026491300000000,  0.0003846100000000, -0.0005230000000000 ]  - [   0.0027246700000000, -0.0000464800000000, -0.0001543300000000 ]  - [   0.0009847300000000,  0.0002816200000000,  0.0002811600000000 ]  - [  -0.0002697900000000, -0.0003380700000000, -0.0000507900000000 ]  - [  -0.0038096400000000, -0.0019017100000000,  0.0030466200000000 ]  - [   0.0021490000000000,  0.0015344600000000, -0.0006550000000000 ]  - [  -0.0016950800000000, -0.0001104400000000, -0.0004701900000000 ]  - [  -0.0074863200000000,  0.0022609100000000,  0.0013663700000000 ]  - [   0.0029897000000000, -0.0007424000000000, -0.0010860900000000 ]  - [  -0.0038331300000000,  0.0026966500000000, -0.0021719200000000 ]  - [   0.0405960000000000,  0.0299778600000000,  0.0300286800000000 ]  - [   0.0021372000000000, -0.0010213400000000,  0.0012864100000000 ]  - [   0.0002685800000000,  0.0027582600000000, -0.0026505200000000 ]  - [   0.0006460300000000, -0.0001060700000000, -0.0000885600000000 ]  - [   0.0013929600000000, -0.0010742500000000,  0.0007223200000000 ]  - [  -0.0063123400000000,  0.0001466200000000,  0.0002386800000000 ]  - [   0.0125408900000000, -0.0020260000000000,  0.0020190400000000 ]  - [  -0.0000618900000000,  0.0023562600000000,  0.0025807300000000 ]  - [  -0.0013175900000000, -0.0001329600000000,  0.0002294000000000 ]  - [   0.0013680600000000, -0.0002979800000000, -0.0012949200000000 ]  - [  -0.0016011100000000, -0.0038132600000000, -0.0036015900000000 ]  - [  -0.0067919400000000,  0.0003323600000000,  0.0005337700000000 ]  - [   0.0124213500000000,  0.0020219700000000, -0.0028890400000000 ]- atom:    5  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000375800000000,  0.0009777600000000, -0.0010829000000000 ]  - [   0.0005566500000000, -0.0000437300000000,  0.0001090600000000 ]  - [  -0.0005443600000000,  0.0003206700000000,  0.0000137400000000 ]  - [  -0.0023801700000000, -0.0002282200000000, -0.0003962200000000 ]  - [   0.0990714200000000,  0.0417567000000000,  0.0401596100000000 ]  - [  -0.0044930600000000,  0.0006973800000000,  0.0050615700000000 ]  - [   0.0003244900000000, -0.0010868600000000,  0.0000004200000000 ]  - [   0.0040266500000000, -0.0003983100000000,  0.0006857700000000 ]  - [  -0.0042805100000000,  0.0046767500000000,  0.0006134700000000 ]  - [  -0.0001736700000000, -0.0008589100000000, -0.0005884200000000 ]  - [  -0.0040416600000000,  0.0000431900000000, -0.0000183700000000 ]  - [  -0.0044266700000000, -0.0006487100000000, -0.0010554600000000 ]  - [   0.0029863300000000, -0.0008471400000000, -0.0012300500000000 ]  - [   0.0004253100000000, -0.0005732300000000,  0.0012786500000000 ]  - [   0.0009472000000000,  0.0016099800000000, -0.0005094400000000 ]  - [  -0.0068949700000000, -0.0101561600000000,  0.0008496400000000 ]  - [  -0.0092971100000000,  0.0013372200000000, -0.0105635900000000 ]  - [   0.0003365500000000,  0.0008202700000000, -0.0005638400000000 ]  - [   0.0008537600000000, -0.0005886300000000, -0.0006505300000000 ]  - [  -0.0019708100000000,  0.0004932000000000,  0.0004484100000000 ]  - [   0.0000524400000000, -0.0004243400000000,  0.0008538500000000 ]  - [  -0.0027193300000000,  0.0005638400000000,  0.0005698600000000 ]  - [   0.0026012600000000,  0.0008067400000000, -0.0008164500000000 ]  - [  -0.0001681100000000, -0.0001588700000000, -0.0014585300000000 ]  - [  -0.0043626100000000, -0.0014008400000000, -0.0001335200000000 ]  - [  -0.0004997500000000, -0.0003998300000000, -0.0008482900000000 ]  - [  -0.0051122000000000,  0.0105704800000000, -0.0006726500000000 ]  - [  -0.0022583700000000,  0.0000619000000000, -0.0001102200000000 ]  - [  -0.0063200800000000,  0.0016857700000000, -0.0092758800000000 ]  - [   0.0054308600000000, -0.0043995200000000, -0.0045208700000000 ]  - [  -0.0058262600000000,  0.0003883000000000,  0.0111862200000000 ]  - [   0.0025986200000000,  0.0004522900000000, -0.0001701400000000 ]  - [  -0.0095559800000000, -0.0105618200000000,  0.0011844800000000 ]  - [   0.0026561200000000, -0.0004240600000000,  0.0006804400000000 ]  - [  -0.0027217800000000,  0.0000749700000000,  0.0000011400000000 ]  - [  -0.0010140500000000, -0.0001235600000000, -0.0002789000000000 ]  - [   0.0002803500000000,  0.0001948700000000,  0.0002048000000000 ]  - [   0.0041502800000000,  0.0022386200000000, -0.0027078400000000 ]  - [  -0.0017974700000000, -0.0018730800000000,  0.0009696100000000 ]  - [   0.0013594300000000,  0.0004475700000000,  0.0008094100000000 ]  - [   0.0078446800000000, -0.0019609900000000, -0.0017381700000000 ]  - [  -0.0026932900000000,  0.0004270500000000,  0.0007703400000000 ]  - [   0.0035065900000000, -0.0030285400000000,  0.0025110500000000 ]  - [  -0.0414613800000000, -0.0309685700000000, -0.0317238800000000 ]  - [  -0.0024535100000000,  0.0006657700000000, -0.0016225500000000 ]  - [  -0.0002902800000000, -0.0026244300000000,  0.0025036600000000 ]  - [  -0.0008089000000000,  0.0001056700000000, -0.0000443200000000 ]  - [  -0.0012551600000000,  0.0012394500000000, -0.0007250600000000 ]  - [   0.0061717000000000,  0.0000029600000000, -0.0002287300000000 ]  - [  -0.0123852900000000,  0.0018552900000000, -0.0021676200000000 ]  - [  -0.0000770100000000, -0.0023523700000000, -0.0024249900000000 ]  - [   0.0014708000000000,  0.0001376000000000, -0.0000846800000000 ]  - [  -0.0015213000000000,  0.0001539300000000,  0.0013118200000000 ]  - [   0.0017811500000000,  0.0036497500000000,  0.0035854600000000 ]  - [   0.0068008600000000, -0.0001729400000000, -0.0003842100000000 ]  - [  -0.0123908200000000, -0.0021522700000000,  0.0024338400000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0012083000000000, -0.0004369900000000,  0.0015099500000000 ]  - [  -0.0000406400000000,  0.0000941400000000, -0.0000351400000000 ]  - [  -0.0000345200000000, -0.0031852500000000,  0.0001397300000000 ]  - [   0.0007440700000000,  0.0056442400000000,  0.0005017900000000 ]  - [  -0.0404482200000000, -0.1552442400000000, -0.0288017500000000 ]  - [  -0.0002189200000000, -0.0035178600000000,  0.0006417400000000 ]  - [   0.0014067000000000,  0.0000329000000000,  0.0001408700000000 ]  - [  -0.0009472800000000,  0.0057861700000000, -0.0137590000000000 ]  - [  -0.0069601700000000,  0.0042084100000000,  0.0002201600000000 ]  - [   0.0013955100000000,  0.0001723700000000,  0.0003298800000000 ]  - [   0.0000858400000000, -0.0030825100000000, -0.0003147600000000 ]  - [   0.0003309700000000, -0.0009166400000000,  0.0003505700000000 ]  - [  -0.0022252300000000,  0.0069104300000000,  0.0125508800000000 ]  - [  -0.0008545700000000,  0.0026512700000000, -0.0002382000000000 ]  - [  -0.0015408100000000, -0.0009920000000000,  0.0002911700000000 ]  - [   0.0125345800000000,  0.0108145500000000, -0.0012818400000000 ]  - [   0.0011599800000000, -0.0050822700000000,  0.0012187900000000 ]  - [  -0.0017682700000000,  0.0002307300000000,  0.0004755900000000 ]  - [   0.0003591100000000,  0.0056750900000000,  0.0009872900000000 ]  - [   0.0004267000000000,  0.0001668200000000, -0.0012276600000000 ]  - [  -0.0003593900000000,  0.0030876200000000, -0.0005473100000000 ]  - [   0.0002477500000000, -0.0008102400000000, -0.0012134500000000 ]  - [  -0.0007373800000000,  0.0073203500000000, -0.0105430700000000 ]  - [  -0.0006581800000000,  0.0036254200000000, -0.0003409500000000 ]  - [   0.0014092300000000,  0.0054918400000000,  0.0002576200000000 ]  - [   0.0000276300000000,  0.0032166000000000,  0.0001273400000000 ]  - [  -0.0131855700000000,  0.0096863100000000, -0.0010192800000000 ]  - [   0.0003914300000000, -0.0001261000000000,  0.0012584700000000 ]  - [   0.0014389700000000, -0.0041880500000000,  0.0020035000000000 ]  - [  -0.0006399900000000,  0.0131489800000000,  0.0194287500000000 ]  - [   0.0009830300000000, -0.0039597600000000, -0.0007236400000000 ]  - [  -0.0003507200000000, -0.0036073300000000, -0.0001583500000000 ]  - [   0.0134021300000000,  0.0094433200000000, -0.0011985300000000 ]  - [  -0.0000083600000000,  0.0057095000000000,  0.0004849900000000 ]  - [   0.0003118200000000,  0.0000189500000000,  0.0010188800000000 ]  - [   0.0001405000000000,  0.0010827100000000,  0.0002699400000000 ]  - [  -0.0001677600000000, -0.0026123000000000, -0.0001824600000000 ]  - [  -0.0023410300000000, -0.0043704100000000,  0.0036204100000000 ]  - [   0.0021675900000000, -0.0088567400000000,  0.0006675300000000 ]  - [  -0.0004598600000000, -0.0020153200000000, -0.0001812000000000 ]  - [   0.0027679200000000,  0.0053825400000000, -0.0026250700000000 ]  - [   0.0043832800000000, -0.0054901200000000, -0.0033004100000000 ]  - [  -0.0001959300000000,  0.0016424300000000, -0.0002299600000000 ]  - [   0.0269835700000000,  0.0418655300000000,  0.0249792100000000 ]  - [  -0.0030152200000000,  0.0053256900000000,  0.0020818500000000 ]  - [   0.0041146800000000,  0.0005884600000000,  0.0034039300000000 ]  - [   0.0002369000000000,  0.0021687300000000, -0.0007761100000000 ]  - [   0.0006132200000000, -0.0108185100000000,  0.0001596000000000 ]  - [  -0.0007405400000000,  0.0022647700000000,  0.0002357600000000 ]  - [   0.0016347300000000,  0.0414156100000000, -0.0023713200000000 ]  - [   0.0047436700000000, -0.0012261000000000, -0.0025886700000000 ]  - [   0.0001271800000000, -0.0020937500000000, -0.0000369800000000 ]  - [  -0.0005634000000000,  0.0000186000000000, -0.0011477000000000 ]  - [  -0.0046189100000000,  0.0004099400000000, -0.0036514300000000 ]  - [  -0.0026194300000000,  0.0009550100000000,  0.0006737400000000 ]  - [   0.0023399200000000,  0.0163764600000000, -0.0015356700000000 ]- atom:    5  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0012100300000000,  0.0004269300000000, -0.0015162500000000 ]  - [   0.0000404500000000, -0.0000899100000000,  0.0000370500000000 ]  - [   0.0000336700000000,  0.0031843100000000, -0.0001368000000000 ]  - [  -0.0007643100000000, -0.0056222600000000, -0.0005064700000000 ]  - [   0.0415234600000000,  0.1514706100000000,  0.0308256000000000 ]  - [   0.0001992500000000,  0.0034861900000000, -0.0007787500000000 ]  - [  -0.0014253100000000, -0.0000010400000000,  0.0000158000000000 ]  - [   0.0009130400000000, -0.0058878300000000,  0.0135741500000000 ]  - [   0.0070618200000000, -0.0043911500000000, -0.0002152800000000 ]  - [  -0.0015381600000000, -0.0001878200000000, -0.0003565300000000 ]  - [   0.0000690400000000,  0.0030877000000000,  0.0003023600000000 ]  - [  -0.0003361400000000,  0.0007627800000000, -0.0003405100000000 ]  - [   0.0022433200000000, -0.0067928200000000, -0.0126814100000000 ]  - [   0.0008629300000000, -0.0028054200000000,  0.0002251800000000 ]  - [   0.0016844500000000,  0.0009543400000000, -0.0003028500000000 ]  - [  -0.0126985900000000, -0.0108646000000000,  0.0011445900000000 ]  - [  -0.0012639400000000,  0.0050575500000000, -0.0011265500000000 ]  - [   0.0018789900000000, -0.0001281300000000, -0.0005711500000000 ]  - [  -0.0003324200000000, -0.0056766300000000, -0.0011406600000000 ]  - [  -0.0005874600000000, -0.0001715800000000,  0.0012430400000000 ]  - [   0.0005134400000000, -0.0030529400000000,  0.0005465600000000 ]  - [  -0.0002197200000000,  0.0008030300000000,  0.0013554400000000 ]  - [   0.0008931100000000, -0.0073353200000000,  0.0106594100000000 ]  - [   0.0004970900000000, -0.0036077200000000,  0.0003515400000000 ]  - [  -0.0015059000000000, -0.0055736600000000, -0.0003473900000000 ]  - [  -0.0001258500000000, -0.0031149900000000, -0.0002181100000000 ]  - [   0.0128786000000000, -0.0097052200000000,  0.0011059600000000 ]  - [  -0.0002967600000000,  0.0000317400000000, -0.0013659400000000 ]  - [  -0.0013309300000000,  0.0040823300000000, -0.0018852200000000 ]  - [   0.0005492000000000, -0.0129293200000000, -0.0190238300000000 ]  - [  -0.0008750100000000,  0.0041104800000000,  0.0006321500000000 ]  - [   0.0004407100000000,  0.0036999800000000,  0.0002340400000000 ]  - [  -0.0131966300000000, -0.0091934700000000,  0.0012266400000000 ]  - [   0.0000222400000000, -0.0057706900000000, -0.0003274800000000 ]  - [  -0.0002993200000000, -0.0000153100000000, -0.0011663100000000 ]  - [  -0.0001619300000000, -0.0009200700000000, -0.0002583000000000 ]  - [   0.0001642300000000,  0.0024618300000000,  0.0003319800000000 ]  - [   0.0026721500000000,  0.0046982100000000, -0.0032676000000000 ]  - [  -0.0018450300000000,  0.0085453900000000, -0.0003661300000000 ]  - [   0.0001241500000000,  0.0023416000000000,  0.0005223700000000 ]  - [  -0.0024573600000000, -0.0049975100000000,  0.0022571300000000 ]  - [  -0.0040324500000000,  0.0051502600000000,  0.0029644800000000 ]  - [  -0.0001311200000000, -0.0020137000000000,  0.0005762200000000 ]  - [  -0.0286963900000000, -0.0422473200000000, -0.0268001000000000 ]  - [   0.0026641800000000, -0.0056359900000000, -0.0024115700000000 ]  - [  -0.0041070500000000, -0.0004196200000000, -0.0035400300000000 ]  - [  -0.0003732500000000, -0.0021657400000000,  0.0006485600000000 ]  - [  -0.0004652800000000,  0.0109608800000000, -0.0001604400000000 ]  - [   0.0005824900000000, -0.0021108200000000, -0.0002240100000000 ]  - [  -0.0012401400000000, -0.0373038200000000,  0.0019485100000000 ]  - [  -0.0049019400000000,  0.0012114900000000,  0.0027502900000000 ]  - [   0.0000252300000000,  0.0020937700000000,  0.0001789500000000 ]  - [   0.0004179700000000, -0.0001791700000000,  0.0011583100000000 ]  - [   0.0047518900000000, -0.0005260700000000,  0.0036339000000000 ]  - [   0.0026187600000000, -0.0008246000000000, -0.0005291100000000 ]  - [  -0.0023275000000000, -0.0163591100000000,  0.0011145300000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0010687300000000,  0.0012437200000000,  0.0003296900000000 ]  - [  -0.0001140300000000, -0.0000785000000000, -0.0007292600000000 ]  - [   0.0000840900000000, -0.0001700600000000,  0.0002357400000000 ]  - [   0.0005344600000000,  0.0005180900000000,  0.0056410700000000 ]  - [  -0.0386459400000000, -0.0287530700000000, -0.1836903300000000 ]  - [  -0.0072477600000000,  0.0001953900000000,  0.0044084900000000 ]  - [  -0.0000801400000000, -0.0002935600000000,  0.0028039000000000 ]  - [   0.0006596600000000, -0.0111258300000000,  0.0103225200000000 ]  - [  -0.0002091800000000,  0.0005409400000000, -0.0031918200000000 ]  - [  -0.0002368400000000,  0.0000906000000000,  0.0036033800000000 ]  - [   0.0000358300000000, -0.0004593300000000, -0.0031024000000000 ]  - [   0.0012561600000000,  0.0005059900000000,  0.0056963400000000 ]  - [  -0.0026795300000000,  0.0101139100000000,  0.0107951300000000 ]  - [  -0.0013885200000000,  0.0004791700000000, -0.0008281800000000 ]  - [  -0.0004254000000000, -0.0003068800000000,  0.0042631400000000 ]  - [   0.0022253400000000,  0.0027024000000000, -0.0030653400000000 ]  - [   0.0133851200000000, -0.0014209800000000,  0.0097280700000000 ]  - [  -0.0005389200000000, -0.0003927300000000,  0.0033772200000000 ]  - [   0.0003499300000000,  0.0012543100000000,  0.0043497100000000 ]  - [   0.0003666300000000, -0.0012579000000000, -0.0006968200000000 ]  - [  -0.0007730300000000,  0.0005537400000000,  0.0001474800000000 ]  - [   0.0008719200000000, -0.0013741700000000, -0.0003305600000000 ]  - [   0.0008684600000000, -0.0102788500000000,  0.0073708000000000 ]  - [   0.0007800500000000, -0.0000889800000000,  0.0002026000000000 ]  - [   0.0006303700000000,  0.0004716500000000, -0.0012608900000000 ]  - [   0.0013611700000000,  0.0003465500000000,  0.0001013600000000 ]  - [   0.0012037600000000, -0.0012033500000000, -0.0045634600000000 ]  - [   0.0002523500000000,  0.0009455700000000, -0.0000043700000000 ]  - [   0.0114570500000000, -0.0021043900000000,  0.0101926700000000 ]  - [  -0.0005606700000000,  0.0190195100000000,  0.0137139400000000 ]  - [  -0.0137598300000000,  0.0007475500000000,  0.0103807900000000 ]  - [   0.0001429700000000,  0.0000889900000000,  0.0057959800000000 ]  - [   0.0013791600000000,  0.0013879500000000, -0.0050672700000000 ]  - [  -0.0007404700000000, -0.0000352300000000, -0.0025783600000000 ]  - [   0.0000799000000000,  0.0014382900000000, -0.0004067600000000 ]  - [   0.0002461300000000,  0.0003580600000000,  0.0011871800000000 ]  - [  -0.0003605500000000, -0.0004288400000000, -0.0020810500000000 ]  - [  -0.0002992400000000,  0.0000438400000000,  0.0018799600000000 ]  - [  -0.0022212800000000,  0.0016348700000000,  0.0048360400000000 ]  - [  -0.0007325300000000, -0.0003495700000000, -0.0016468500000000 ]  - [   0.0026877300000000, -0.0025145300000000,  0.0056718900000000 ]  - [   0.0049687000000000, -0.0030849200000000, -0.0053992400000000 ]  - [  -0.0026830300000000,  0.0036672000000000, -0.0043033600000000 ]  - [   0.0285186300000000,  0.0264545000000000,  0.0423993300000000 ]  - [   0.0026253900000000,  0.0000638400000000, -0.0094051300000000 ]  - [  -0.0043130600000000,  0.0042766800000000, -0.0013043500000000 ]  - [  -0.0000082400000000,  0.0001441200000000, -0.0108402500000000 ]  - [   0.0006987300000000, -0.0010432200000000,  0.0021050400000000 ]  - [  -0.0019592800000000,  0.0001818100000000,  0.0004272200000000 ]  - [   0.0023011200000000, -0.0002839100000000,  0.0166813700000000 ]  - [   0.0050677500000000, -0.0030440500000000, -0.0004413900000000 ]  - [  -0.0001633100000000, -0.0002971600000000,  0.0001949800000000 ]  - [   0.0001490200000000, -0.0002670500000000, -0.0105837700000000 ]  - [  -0.0045882100000000, -0.0039682400000000, -0.0000462700000000 ]  - [  -0.0013131400000000,  0.0004178400000000,  0.0021178600000000 ]  - [  -0.0002141700000000, -0.0052618100000000,  0.0646065900000000 ]- atom:    5  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0010666500000000, -0.0012396100000000, -0.0003214900000000 ]  - [   0.0001135300000000,  0.0000741700000000,  0.0007274200000000 ]  - [  -0.0000851900000000,  0.0001761100000000, -0.0002394200000000 ]  - [  -0.0005587700000000, -0.0005244800000000, -0.0056177600000000 ]  - [   0.0400010100000000,  0.0308750700000000,  0.1789250500000000 ]  - [   0.0073277900000000, -0.0002242200000000, -0.0045916100000000 ]  - [   0.0000759000000000,  0.0003141600000000, -0.0026446500000000 ]  - [  -0.0006931900000000,  0.0111204500000000, -0.0103578800000000 ]  - [   0.0002272200000000, -0.0006806500000000,  0.0031936600000000 ]  - [   0.0000836900000000, -0.0000883800000000, -0.0036259900000000 ]  - [   0.0001174500000000,  0.0004661400000000,  0.0030756700000000 ]  - [  -0.0012624600000000, -0.0006629700000000, -0.0056633800000000 ]  - [   0.0027066100000000, -0.0100765400000000, -0.0108816600000000 ]  - [   0.0013812400000000, -0.0006345900000000,  0.0007879000000000 ]  - [   0.0005819100000000,  0.0002914100000000, -0.0042628200000000 ]  - [  -0.0022434800000000, -0.0026786600000000,  0.0029032400000000 ]  - [  -0.0132039500000000,  0.0014152700000000, -0.0094667300000000 ]  - [   0.0006401000000000,  0.0004785300000000, -0.0034689800000000 ]  - [  -0.0003219200000000, -0.0012596000000000, -0.0044971700000000 ]  - [  -0.0005205200000000,  0.0012192300000000,  0.0006863400000000 ]  - [   0.0009370000000000, -0.0005370400000000, -0.0001283300000000 ]  - [  -0.0008511600000000,  0.0013934300000000,  0.0005061500000000 ]  - [  -0.0007103500000000,  0.0101240400000000, -0.0072869100000000 ]  - [  -0.0009366300000000,  0.0000836500000000, -0.0001567500000000 ]  - [  -0.0007209800000000, -0.0005687100000000,  0.0011630300000000 ]  - [  -0.0014420100000000, -0.0002607400000000, -0.0001983400000000 ]  - [  -0.0012087300000000,  0.0010369800000000,  0.0046629400000000 ]  - [  -0.0001575300000000, -0.0010460200000000, -0.0000761800000000 ]  - [  -0.0114953200000000,  0.0020454500000000, -0.0101649600000000 ]  - [   0.0004759000000000, -0.0186153500000000, -0.0134889500000000 ]  - [   0.0135670700000000, -0.0005811100000000, -0.0103077500000000 ]  - [  -0.0000507200000000,  0.0000088600000000, -0.0057401700000000 ]  - [  -0.0014589700000000, -0.0012970700000000,  0.0050727100000000 ]  - [   0.0007369000000000, -0.0000021600000000,  0.0027251400000000 ]  - [  -0.0000761600000000, -0.0014012100000000,  0.0002359600000000 ]  - [  -0.0002736900000000, -0.0002025400000000, -0.0011861200000000 ]  - [   0.0003527000000000,  0.0002794500000000,  0.0022303400000000 ]  - [   0.0006409400000000,  0.0003047900000000, -0.0015840700000000 ]  - [   0.0025401600000000, -0.0019567000000000, -0.0044784800000000 ]  - [   0.0003978400000000,  0.0006904800000000,  0.0019722200000000 ]  - [  -0.0023768400000000,  0.0028173500000000, -0.0059546900000000 ]  - [  -0.0046171400000000,  0.0027511500000000,  0.0050634100000000 ]  - [   0.0023486300000000, -0.0039805600000000,  0.0046296100000000 ]  - [  -0.0303354300000000, -0.0276734200000000, -0.0435660800000000 ]  - [  -0.0029662000000000, -0.0004248200000000,  0.0090917000000000 ]  - [   0.0043156100000000, -0.0041421500000000,  0.0011196500000000 ]  - [  -0.0001525000000000, -0.0001431500000000,  0.0106817100000000 ]  - [  -0.0005336300000000,  0.0012107800000000, -0.0021008400000000 ]  - [   0.0018138700000000, -0.0000354000000000, -0.0004468300000000 ]  - [  -0.0021568100000000,  0.0001302200000000, -0.0167113800000000 ]  - [  -0.0052334600000000,  0.0030517800000000,  0.0005764900000000 ]  - [   0.0003144500000000,  0.0003038400000000, -0.0000306500000000 ]  - [  -0.0002965000000000,  0.0001121200000000,  0.0105820000000000 ]  - [   0.0047244500000000,  0.0037946600000000,  0.0000793100000000 ]  - [   0.0013007000000000, -0.0002555300000000, -0.0019603600000000 ]  - [   0.0002842000000000,  0.0046237800000000, -0.0594842900000000 ]- atom:   18  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0030128200000000, -0.0000261000000000, -0.0000516000000000 ]  - [   0.0001817700000000, -0.0001000400000000, -0.0000148000000000 ]  - [   0.0000879500000000, -0.0014613800000000,  0.0014429500000000 ]  - [   0.0007558100000000,  0.0000986200000000,  0.0002300000000000 ]  - [  -0.0003692400000000, -0.0018016500000000, -0.0005934500000000 ]  - [  -0.0046198400000000,  0.0010219100000000,  0.0006184400000000 ]  - [   0.0057805000000000, -0.0001888000000000, -0.0001243800000000 ]  - [  -0.0000783600000000,  0.0000266800000000, -0.0009995700000000 ]  - [  -0.0036406000000000, -0.0004919000000000, -0.0000433900000000 ]  - [  -0.0026305500000000,  0.0000936400000000,  0.0003947200000000 ]  - [   0.0005304700000000,  0.0014091600000000,  0.0000647800000000 ]  - [   0.0102037000000000,  0.0092408400000000,  0.0019723000000000 ]  - [   0.0135288800000000, -0.0044347200000000, -0.0190782500000000 ]  - [   0.0034275900000000, -0.0005983200000000,  0.0005091600000000 ]  - [   0.0043894400000000,  0.0014491100000000, -0.0006756600000000 ]  - [   0.0055144300000000,  0.0005227100000000, -0.0014310600000000 ]  - [  -0.0041420300000000,  0.0020679900000000, -0.0016372100000000 ]  - [  -0.1351917900000000, -0.0310179900000000,  0.0311357100000000 ]  - [   0.0129890500000000,  0.0186632700000000,  0.0043129900000000 ]  - [   0.0062771100000000, -0.0014049700000000, -0.0115283800000000 ]  - [  -0.0054174400000000,  0.0006693100000000, -0.0005770400000000 ]  - [   0.0001821100000000,  0.0004462100000000,  0.0008654200000000 ]  - [   0.0051219300000000, -0.0012082500000000,  0.0129545800000000 ]  - [   0.0022184200000000, -0.0002013100000000,  0.0003523900000000 ]  - [   0.0001407100000000, -0.0014539300000000, -0.0007234100000000 ]  - [  -0.0041226400000000, -0.0007594900000000, -0.0010612700000000 ]  - [   0.0011572800000000, -0.0000072800000000, -0.0000177400000000 ]  - [   0.0063696900000000,  0.0007766400000000,  0.0099692500000000 ]  - [   0.0036315300000000, -0.0007089200000000,  0.0007635900000000 ]  - [  -0.0009549600000000,  0.0007584700000000,  0.0014361800000000 ]  - [   0.0031741700000000, -0.0003600300000000,  0.0002942900000000 ]  - [   0.0063401700000000, -0.0100820700000000,  0.0010894900000000 ]  - [  -0.0012027100000000,  0.0001794300000000, -0.0003042800000000 ]  - [   0.0000492100000000,  0.0012968600000000,  0.0001377400000000 ]  - [   0.0001521100000000, -0.0001612100000000, -0.0008921400000000 ]  - [   0.0097100200000000, -0.0105471000000000, -0.0011176400000000 ]  - [   0.0156508400000000,  0.0015830900000000, -0.0012143500000000 ]  - [   0.0014736800000000,  0.0003920800000000,  0.0000891100000000 ]  - [   0.0053858600000000, -0.0030839200000000, -0.0019658000000000 ]  - [  -0.0092746600000000,  0.0005282000000000, -0.0019321800000000 ]  - [  -0.0018757300000000, -0.0001931900000000, -0.0000950200000000 ]  - [  -0.0051407000000000, -0.0031897300000000, -0.0048293300000000 ]  - [   0.0343522900000000,  0.0198675900000000, -0.0199658500000000 ]  - [  -0.0060565500000000,  0.0046740900000000,  0.0027401700000000 ]  - [   0.0043285600000000,  0.0013455100000000,  0.0021751600000000 ]  - [  -0.0020367900000000,  0.0001785100000000,  0.0004155200000000 ]  - [  -0.0098605200000000, -0.0000233600000000,  0.0001414000000000 ]  - [  -0.0019896000000000, -0.0002770300000000, -0.0000574400000000 ]  - [  -0.0005967700000000, -0.0032860400000000, -0.0041894400000000 ]  - [   0.0004922100000000,  0.0003018600000000, -0.0001947100000000 ]  - [   0.0152604000000000,  0.0012814100000000, -0.0022517300000000 ]  - [  -0.0012159200000000,  0.0041324400000000,  0.0043851300000000 ]  - [   0.0211266500000000,  0.0011757000000000,  0.0002468900000000 ]  - [   0.0020230600000000, -0.0009225000000000, -0.0003076100000000 ]  - [   0.0002335600000000,  0.0000617600000000,  0.0016367600000000 ]  - [   0.0011890800000000,  0.0037481600000000, -0.0024993900000000 ]- atom:   18  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0030136500000000,  0.0000267900000000,  0.0000530900000000 ]  - [  -0.0001774100000000,  0.0000961400000000,  0.0000126300000000 ]  - [  -0.0001033200000000,  0.0014692200000000, -0.0014483300000000 ]  - [  -0.0007558600000000, -0.0001035400000000, -0.0002266000000000 ]  - [   0.0002091900000000,  0.0018410600000000,  0.0005826000000000 ]  - [   0.0045996000000000, -0.0011050300000000, -0.0008180500000000 ]  - [  -0.0057626500000000,  0.0001990800000000,  0.0002983500000000 ]  - [   0.0000775100000000, -0.0001969500000000,  0.0009897000000000 ]  - [   0.0036676100000000,  0.0003200500000000,  0.0000371700000000 ]  - [   0.0024644500000000, -0.0000999200000000, -0.0003972600000000 ]  - [  -0.0003715000000000, -0.0013960700000000, -0.0000889400000000 ]  - [  -0.0101524000000000, -0.0092958700000000, -0.0019232300000000 ]  - [  -0.0136801200000000,  0.0046270400000000,  0.0193712900000000 ]  - [  -0.0034235600000000,  0.0004318300000000, -0.0005340200000000 ]  - [  -0.0042361400000000, -0.0014723000000000,  0.0006690700000000 ]  - [  -0.0055486100000000, -0.0005149400000000,  0.0012698400000000 ]  - [   0.0041310600000000, -0.0020834000000000,  0.0018015000000000 ]  - [   0.1381294300000000,  0.0298765600000000, -0.0297595500000000 ]  - [  -0.0130888000000000, -0.0189745700000000, -0.0045037900000000 ]  - [  -0.0063986200000000,  0.0013610000000000,  0.0114293200000000 ]  - [   0.0055669700000000, -0.0005142000000000,  0.0004551800000000 ]  - [  -0.0001797900000000, -0.0004262800000000, -0.0006937400000000 ]  - [  -0.0050018600000000,  0.0012006700000000, -0.0131031600000000 ]  - [  -0.0023920200000000,  0.0002150900000000, -0.0003342300000000 ]  - [  -0.0002581800000000,  0.0013447700000000,  0.0006173500000000 ]  - [   0.0040264600000000,  0.0008875200000000,  0.0010204200000000 ]  - [  -0.0012546500000000, -0.0000888600000000,  0.0001142400000000 ]  - [  -0.0062514200000000, -0.0008793200000000, -0.0099615800000000 ]  - [  -0.0035373300000000,  0.0006149200000000, -0.0006583700000000 ]  - [   0.0008663900000000, -0.0006598600000000, -0.0013526900000000 ]  - [  -0.0031584900000000,  0.0005268800000000, -0.0003092400000000 ]  - [  -0.0062881100000000,  0.0103386200000000, -0.0009914700000000 ]  - [   0.0012207900000000, -0.0000008800000000,  0.0003092300000000 ]  - [  -0.0000273600000000, -0.0013318500000000,  0.0000202000000000 ]  - [  -0.0001501900000000,  0.0001890700000000,  0.0007248500000000 ]  - [  -0.0096832400000000,  0.0105690900000000,  0.0011243100000000 ]  - [  -0.0157319500000000, -0.0016368400000000,  0.0013238700000000 ]  - [  -0.0010867900000000, -0.0000805800000000,  0.0002752900000000 ]  - [  -0.0050793600000000,  0.0027797500000000,  0.0022994800000000 ]  - [   0.0089181700000000, -0.0001701900000000,  0.0022457900000000 ]  - [   0.0022172800000000,  0.0005229800000000, -0.0002383000000000 ]  - [   0.0054851900000000,  0.0028492700000000,  0.0045081100000000 ]  - [  -0.0341034500000000, -0.0190190600000000,  0.0191150400000000 ]  - [   0.0057336600000000, -0.0043529300000000, -0.0030728600000000 ]  - [  -0.0046988900000000, -0.0016840600000000, -0.0025432100000000 ]  - [   0.0020409800000000, -0.0000351600000000, -0.0005708100000000 ]  - [   0.0097167600000000,  0.0000288200000000, -0.0002872600000000 ]  - [   0.0021403100000000,  0.0004310900000000,  0.0000583000000000 ]  - [   0.0004766300000000,  0.0034255400000000,  0.0041728600000000 ]  - [  -0.0003633900000000, -0.0003091800000000,  0.0000553800000000 ]  - [  -0.0154735200000000, -0.0012574800000000,  0.0022862700000000 ]  - [   0.0013819400000000, -0.0041186700000000, -0.0042311900000000 ]  - [  -0.0243583100000000, -0.0013145800000000, -0.0003903600000000 ]  - [  -0.0018786800000000,  0.0007668000000000,  0.0003197200000000 ]  - [  -0.0002232100000000,  0.0000870100000000, -0.0014817100000000 ]  - [  -0.0012048900000000, -0.0039041200000000,  0.0023595200000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0001238200000000,  0.0001254400000000,  0.0002143800000000 ]  - [  -0.0122355100000000,  0.0042089700000000,  0.0004303200000000 ]  - [  -0.0001307500000000, -0.0037236900000000,  0.0001287900000000 ]  - [   0.0000033800000000,  0.0002930800000000, -0.0000043500000000 ]  - [  -0.0003521900000000, -0.0025347100000000, -0.0003566400000000 ]  - [   0.0011273200000000, -0.0109085000000000,  0.0010761300000000 ]  - [  -0.0001839000000000,  0.0001379900000000,  0.0003036700000000 ]  - [  -0.0048172900000000, -0.0000808500000000,  0.0051259300000000 ]  - [   0.0003153800000000,  0.0006577700000000, -0.0000741800000000 ]  - [  -0.0027930100000000,  0.0594257900000000,  0.0011361600000000 ]  - [  -0.0000442400000000, -0.0021504000000000, -0.0002698600000000 ]  - [  -0.0018895900000000, -0.0063244800000000, -0.0006452300000000 ]  - [   0.0046716500000000, -0.0016023800000000, -0.0047099400000000 ]  - [  -0.0002195000000000,  0.0013618800000000,  0.0004660600000000 ]  - [   0.0003303800000000,  0.0008558500000000, -0.0003408600000000 ]  - [  -0.0001173600000000,  0.0001252600000000, -0.0002446700000000 ]  - [   0.0006914600000000, -0.0107712900000000,  0.0000990100000000 ]  - [   0.0016151900000000,  0.0243190400000000, -0.0023380800000000 ]  - [  -0.0019951300000000,  0.0166590600000000,  0.0020209200000000 ]  - [  -0.0027831100000000,  0.0005067500000000,  0.0042245600000000 ]  - [  -0.0020099000000000,  0.0163314500000000,  0.0047349400000000 ]  - [   0.0026658500000000, -0.0005231000000000,  0.0025716400000000 ]  - [   0.0026709200000000, -0.0012012200000000,  0.0034927700000000 ]  - [  -0.0005330600000000,  0.0020372800000000, -0.0005742000000000 ]  - [  -0.0000522900000000,  0.0019039700000000, -0.0002623300000000 ]  - [  -0.0013225300000000,  0.0154180200000000, -0.0011886700000000 ]  - [  -0.0005478200000000,  0.0003660900000000,  0.0004060000000000 ]  - [  -0.0023966600000000, -0.0013298800000000, -0.0034124000000000 ]  - [  -0.0000552500000000, -0.0021223700000000, -0.0000761500000000 ]  - [  -0.0038652200000000, -0.0005069400000000, -0.0042428200000000 ]  - [  -0.0000362100000000, -0.0013103600000000,  0.0002365100000000 ]  - [  -0.0015130400000000, -0.0097453600000000, -0.0008002500000000 ]  - [   0.0006213300000000,  0.0013907000000000, -0.0005283700000000 ]  - [   0.0001056300000000,  0.0021765600000000,  0.0001530600000000 ]  - [   0.0038784600000000,  0.0004619700000000, -0.0038042300000000 ]  - [   0.0012684900000000,  0.0125344300000000,  0.0022365900000000 ]  - [   0.0155869600000000, -0.1760824100000000, -0.0309663600000000 ]  - [   0.0006706400000000, -0.0039537000000000, -0.0043881200000000 ]  - [   0.0009999500000000, -0.0032870700000000, -0.0043201700000000 ]  - [   0.0059665300000000, -0.0011694800000000,  0.0007539600000000 ]  - [  -0.0003972000000000,  0.0029188000000000,  0.0005797400000000 ]  - [   0.0058068700000000, -0.0046613300000000, -0.0008548800000000 ]  - [   0.0118420300000000,  0.0206324800000000, -0.0134538900000000 ]  - [  -0.0012027100000000,  0.0034990500000000,  0.0010405700000000 ]  - [   0.0132662900000000,  0.0248022200000000, -0.0151576700000000 ]  - [   0.0012657900000000, -0.0004313800000000,  0.0009794000000000 ]  - [   0.0012692200000000,  0.0008504100000000, -0.0004288800000000 ]  - [   0.0004267200000000, -0.0022712200000000, -0.0001156000000000 ]  - [  -0.0008416500000000,  0.0052612800000000,  0.0002017100000000 ]  - [  -0.0009188900000000, -0.0001903100000000, -0.0008446400000000 ]  - [  -0.0005254600000000,  0.0113772300000000,  0.0313561400000000 ]  - [   0.0004768500000000, -0.0083317900000000, -0.0019439300000000 ]  - [  -0.0313509400000000,  0.0093823500000000, -0.0012458400000000 ]  - [  -0.0019873800000000,  0.0093447600000000,  0.0336302300000000 ]  - [  -0.0007444100000000,  0.0005601800000000, -0.0004257100000000 ]  - [   0.0001951000000000,  0.0052881500000000,  0.0004197200000000 ]- atom:   37  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001239300000000, -0.0001369800000000, -0.0002100100000000 ]  - [   0.0123526700000000, -0.0042350700000000, -0.0004384600000000 ]  - [   0.0001736000000000,  0.0037182100000000, -0.0001725700000000 ]  - [  -0.0000015600000000, -0.0002971400000000,  0.0000069700000000 ]  - [   0.0001887000000000,  0.0025507800000000,  0.0003512700000000 ]  - [  -0.0011313900000000,  0.0108738000000000, -0.0012360300000000 ]  - [   0.0001916200000000, -0.0000685700000000, -0.0001480100000000 ]  - [   0.0048296300000000, -0.0000978500000000, -0.0051713900000000 ]  - [  -0.0002914100000000, -0.0007941900000000,  0.0000726700000000 ]  - [   0.0025286600000000, -0.0646709500000000, -0.0015268500000000 ]  - [   0.0002069800000000,  0.0021579000000000,  0.0002449900000000 ]  - [   0.0018776500000000,  0.0061587400000000,  0.0006729000000000 ]  - [  -0.0046420200000000,  0.0017697600000000,  0.0046564200000000 ]  - [   0.0002286900000000, -0.0015270600000000, -0.0005162400000000 ]  - [  -0.0001778800000000, -0.0009218400000000,  0.0003363300000000 ]  - [   0.0000962300000000, -0.0001057800000000,  0.0000778700000000 ]  - [  -0.0007242100000000,  0.0107504300000000,  0.0000525900000000 ]  - [  -0.0016028500000000, -0.0211640600000000,  0.0021977600000000 ]  - [   0.0023111200000000, -0.0167321200000000, -0.0021662400000000 ]  - [   0.0026007100000000, -0.0004998100000000, -0.0041931800000000 ]  - [   0.0021582800000000, -0.0164020500000000, -0.0051361300000000 ]  - [  -0.0026649000000000,  0.0004973700000000, -0.0024383200000000 ]  - [  -0.0024903200000000,  0.0012190100000000, -0.0034473400000000 ]  - [   0.0003846800000000, -0.0020451100000000,  0.0006261100000000 ]  - [  -0.0000215600000000, -0.0019957400000000,  0.0001738000000000 ]  - [   0.0012219500000000, -0.0153234900000000,  0.0013039000000000 ]  - [   0.0004479200000000, -0.0004847900000000, -0.0003108600000000 ]  - [   0.0024627100000000,  0.0012626000000000,  0.0032999500000000 ]  - [   0.0001577700000000,  0.0020172600000000,  0.0001730100000000 ]  - [   0.0037907100000000,  0.0005725900000000,  0.0043683700000000 ]  - [   0.0000616100000000,  0.0014726800000000, -0.0002406600000000 ]  - [   0.0016077600000000,  0.0098310600000000,  0.0008935600000000 ]  - [  -0.0006181500000000, -0.0012672100000000,  0.0005564000000000 ]  - [  -0.0001160100000000, -0.0022074000000000,  0.0000040700000000 ]  - [  -0.0038876400000000, -0.0004737500000000,  0.0036659700000000 ]  - [  -0.0015907800000000, -0.0123915900000000, -0.0022179400000000 ]  - [  -0.0151821400000000,  0.1784950200000000,  0.0317000300000000 ]  - [  -0.0003636300000000,  0.0043664500000000,  0.0047089200000000 ]  - [  -0.0006367100000000,  0.0028746600000000,  0.0046544600000000 ]  - [  -0.0063041300000000,  0.0014187400000000, -0.0004581800000000 ]  - [   0.0007340100000000, -0.0025901500000000, -0.0009140700000000 ]  - [  -0.0054705300000000,  0.0044101100000000,  0.0005437900000000 ]  - [  -0.0121079400000000, -0.0207942100000000,  0.0137146900000000 ]  - [   0.0008577500000000, -0.0031660300000000, -0.0013644700000000 ]  - [  -0.0136553600000000, -0.0253503400000000,  0.0148587300000000 ]  - [  -0.0012736400000000,  0.0006045200000000, -0.0011428300000000 ]  - [  -0.0014174100000000, -0.0008566000000000,  0.0002753100000000 ]  - [  -0.0002768400000000,  0.0024144300000000,  0.0001189200000000 ]  - [   0.0007062100000000, -0.0051158400000000, -0.0001869400000000 ]  - [   0.0010829400000000,  0.0002097700000000,  0.0007049000000000 ]  - [   0.0003700400000000, -0.0113256200000000, -0.0308769700000000 ]  - [  -0.0004182700000000,  0.0083213100000000,  0.0021961900000000 ]  - [   0.0308825200000000, -0.0095090400000000,  0.0012322700000000 ]  - [   0.0021523400000000, -0.0095447800000000, -0.0339236300000000 ]  - [   0.0007311700000000, -0.0004313700000000,  0.0005752200000000 ]  - [  -0.0002054100000000, -0.0054406800000000, -0.0005810200000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0020504100000000, -0.0000778600000000, -0.0000825500000000 ]  - [   0.0050457500000000, -0.0123536600000000, -0.0006650600000000 ]  - [   0.0050100600000000, -0.0006557000000000, -0.0122244400000000 ]  - [  -0.0008690100000000,  0.0000936000000000,  0.0000935400000000 ]  - [  -0.0003590500000000, -0.0001499100000000, -0.0003607000000000 ]  - [   0.0021047300000000, -0.0001750800000000,  0.0006583700000000 ]  - [  -0.0105872900000000, -0.0011392700000000,  0.0013800400000000 ]  - [  -0.0012468500000000, -0.0024153300000000,  0.0030383200000000 ]  - [   0.0021826200000000, -0.0001720200000000, -0.0001390500000000 ]  - [   0.0123186300000000, -0.0000315300000000, -0.0023369300000000 ]  - [  -0.0001967200000000, -0.0003566900000000, -0.0001794300000000 ]  - [   0.0004500800000000,  0.0001619000000000,  0.0002455500000000 ]  - [  -0.0000819000000000,  0.0036573200000000,  0.0036187400000000 ]  - [  -0.0105769500000000,  0.0012261400000000, -0.0011651000000000 ]  - [  -0.0067192700000000, -0.0026287000000000,  0.0013045700000000 ]  - [  -0.0021108800000000, -0.0002982100000000,  0.0000567100000000 ]  - [   0.0021494000000000, -0.0001462700000000, -0.0000432300000000 ]  - [   0.0157465900000000, -0.0003772100000000, -0.0013113200000000 ]  - [   0.0373374900000000, -0.0001113000000000, -0.0021400800000000 ]  - [   0.0002107500000000, -0.0041347400000000,  0.0043255600000000 ]  - [   0.0124872600000000, -0.0023320800000000, -0.0004690900000000 ]  - [  -0.0011959400000000,  0.0030574500000000, -0.0022903600000000 ]  - [   0.0003424100000000,  0.0042971900000000, -0.0040864900000000 ]  - [  -0.0068776300000000,  0.0013096200000000, -0.0026109400000000 ]  - [   0.0001957200000000,  0.0002697500000000, -0.0000687800000000 ]  - [   0.0156294400000000, -0.0012269900000000, -0.0002576100000000 ]  - [  -0.0020877300000000,  0.0002590200000000, -0.0000114600000000 ]  - [   0.0012557700000000, -0.0041821300000000, -0.0042414700000000 ]  - [  -0.0019964400000000, -0.0001014100000000,  0.0003513000000000 ]  - [   0.0011303800000000, -0.0041194700000000, -0.0040696500000000 ]  - [  -0.0020856600000000,  0.0002143800000000, -0.0003014200000000 ]  - [   0.0002529400000000,  0.0000148400000000,  0.0003533600000000 ]  - [   0.0020980200000000,  0.0007911600000000, -0.0001459000000000 ]  - [   0.0004243700000000,  0.0002130900000000,  0.0003064800000000 ]  - [  -0.0000513000000000,  0.0036644300000000,  0.0035289700000000 ]  - [   0.0413730800000000, -0.0017337900000000, -0.0003068200000000 ]  - [  -0.1636721500000000,  0.0148638100000000,  0.0159074500000000 ]  - [  -0.0020914500000000, -0.0001761000000000,  0.0065436600000000 ]  - [  -0.0042547000000000,  0.0010233800000000,  0.0057998700000000 ]  - [   0.0219526800000000,  0.0144852000000000,  0.0150537800000000 ]  - [   0.0032360800000000, -0.0005013200000000, -0.0003613200000000 ]  - [   0.0220944500000000,  0.0146633100000000,  0.0140822000000000 ]  - [  -0.0046631900000000,  0.0054680200000000,  0.0013808000000000 ]  - [   0.0028977000000000, -0.0000230500000000, -0.0008319400000000 ]  - [  -0.0023442200000000,  0.0062159400000000, -0.0005419300000000 ]  - [   0.0060913600000000, -0.0012027000000000, -0.0013385800000000 ]  - [   0.0007745100000000,  0.0015286900000000,  0.0000385400000000 ]  - [   0.0009248200000000,  0.0001933100000000,  0.0015301800000000 ]  - [  -0.0002902900000000,  0.0002708600000000, -0.0011797000000000 ]  - [  -0.0001152300000000, -0.0011691300000000,  0.0001189400000000 ]  - [  -0.0083971600000000,  0.0008855800000000, -0.0012089700000000 ]  - [   0.0114604400000000, -0.0009333700000000, -0.0338612800000000 ]  - [   0.0112350800000000, -0.0336933900000000, -0.0009398100000000 ]  - [  -0.0082597200000000, -0.0012675000000000,  0.0009864700000000 ]  - [   0.0003243800000000, -0.0006660500000000, -0.0001240600000000 ]  - [   0.0003433400000000, -0.0002760600000000, -0.0008079400000000 ]- atom:   38  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0010602200000000,  0.0002620700000000,  0.0004185400000000 ]  - [  -0.0011773900000000,  0.0003127700000000, -0.0041228300000000 ]  - [   0.0073040500000000, -0.0018187800000000,  0.0018433900000000 ]  - [  -0.0011431400000000,  0.0042494300000000,  0.0003277600000000 ]  - [  -0.0040698300000000, -0.0024917100000000, -0.0004780700000000 ]  - [   0.0046417600000000, -0.0005270100000000, -0.0008969000000000 ]  - [  -0.0018136600000000, -0.0003487800000000,  0.0007274800000000 ]  - [  -0.0086895900000000, -0.0017639600000000, -0.0017886500000000 ]  - [   0.0051964700000000,  0.0020323900000000,  0.0026683900000000 ]  - [   0.0018826600000000, -0.0023882600000000, -0.0020152100000000 ]  - [   0.0023854400000000,  0.0027977800000000, -0.0028471600000000 ]  - [   0.0017290100000000,  0.0027900300000000,  0.0034484200000000 ]  - [  -0.0044786100000000,  0.0024236500000000,  0.0003960400000000 ]  - [  -0.0052120500000000,  0.0008432900000000, -0.0031479800000000 ]  - [  -0.0035812500000000, -0.0000383100000000,  0.0025166300000000 ]  - [  -0.0053165600000000, -0.0029162700000000,  0.0004952400000000 ]  - [   0.0018143500000000, -0.0038337100000000,  0.0029499800000000 ]  - [   0.0013312500000000,  0.0047303400000000, -0.0045751800000000 ]  - [  -0.0045290400000000, -0.0001358400000000, -0.0021483000000000 ]  - [   0.0027559200000000, -0.0042132700000000, -0.0047820400000000 ]  - [   0.0408016600000000, -0.0271761500000000,  0.0287597800000000 ]  - [   0.0424584500000000, -0.0277806900000000, -0.0310667200000000 ]  - [  -0.0014512100000000,  0.0005605000000000,  0.0003022900000000 ]  - [  -0.0077711300000000, -0.0025436600000000,  0.0026428600000000 ]  - [   0.0345291900000000,  0.0200762000000000,  0.0199775700000000 ]  - [   0.0044606100000000,  0.0029777300000000,  0.0020465900000000 ]  - [  -0.0091687500000000,  0.0014810300000000, -0.0020934400000000 ]  - [   0.0052896400000000, -0.0004018300000000,  0.0023076800000000 ]  - [  -0.0052410800000000,  0.0028516400000000,  0.0002950100000000 ]  - [  -0.0059570800000000, -0.0000401900000000,  0.0030711800000000 ]  - [  -0.0021637900000000,  0.0003664900000000, -0.0005291600000000 ]  - [  -0.0019942300000000, -0.0003017600000000, -0.0000180400000000 ]  - [   0.0425419400000000,  0.0302391200000000, -0.0251313000000000 ]  - [  -0.0092250600000000,  0.0022188500000000,  0.0015096500000000 ]  - [   0.0058289000000000,  0.0024504100000000, -0.0016349800000000 ]  - [   0.0054778500000000, -0.0007602900000000,  0.0002477100000000 ]  - [  -0.0022056000000000,  0.0004500500000000,  0.0135514400000000 ]  - [  -0.1917664700000000,  0.0085145700000000,  0.0082615900000000 ]  - [   0.0018805600000000, -0.0058446000000000, -0.0051003300000000 ]  - [  -0.0010642900000000,  0.0058973500000000, -0.0061809500000000 ]  - [   0.0018345600000000, -0.0046387900000000,  0.0061784700000000 ]  - [   0.0049019200000000, -0.0006560800000000, -0.0003865100000000 ]  - [  -0.0069403500000000, -0.0001938500000000,  0.0006546900000000 ]  - [   0.0045462100000000,  0.0003858300000000, -0.0001946400000000 ]  - [   0.0008639600000000,  0.0049709900000000,  0.0033646400000000 ]  - [   0.0220452200000000, -0.0056252200000000, -0.0062733500000000 ]  - [   0.0026681100000000, -0.0006651200000000, -0.0012763500000000 ]  - [   0.0208043600000000,  0.0046206700000000,  0.0056924600000000 ]  - [  -0.0042428800000000, -0.0149076200000000, -0.0003655800000000 ]  - [   0.0251153700000000,  0.0063109100000000, -0.0045604600000000 ]  - [  -0.0013632400000000, -0.0142971000000000, -0.0006332900000000 ]  - [  -0.0030098000000000, -0.0011932500000000,  0.0136474400000000 ]  - [   0.0032658400000000, -0.0008260400000000,  0.0001949200000000 ]  - [  -0.0044560600000000,  0.0005220800000000, -0.0148733600000000 ]  - [  -0.0044611500000000,  0.0120367200000000, -0.0007339400000000 ]  - [   0.0030777700000000,  0.0009552500000000, -0.0006431400000000 ]- atom:   38  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0010668600000000, -0.0002614000000000, -0.0004187400000000 ]  - [   0.0011713000000000, -0.0003180700000000,  0.0041355200000000 ]  - [  -0.0073277300000000,  0.0018592000000000, -0.0018829800000000 ]  - [   0.0011506200000000, -0.0042405000000000, -0.0003217000000000 ]  - [   0.0038950900000000,  0.0025271200000000,  0.0004730300000000 ]  - [  -0.0046752700000000,  0.0005015100000000,  0.0007313800000000 ]  - [   0.0018132900000000,  0.0003600000000000, -0.0005588500000000 ]  - [   0.0087175700000000,  0.0016467800000000,  0.0018112600000000 ]  - [  -0.0051835200000000, -0.0021891200000000, -0.0026659800000000 ]  - [  -0.0020607500000000,  0.0023751900000000,  0.0019955800000000 ]  - [  -0.0022112400000000, -0.0028009500000000,  0.0028363600000000 ]  - [  -0.0017331700000000, -0.0029613100000000, -0.0034474000000000 ]  - [   0.0044602000000000, -0.0022689000000000, -0.0004131800000000 ]  - [   0.0052505500000000, -0.0010147600000000,  0.0031265400000000 ]  - [   0.0037578200000000,  0.0000276800000000, -0.0025218000000000 ]  - [   0.0053139100000000,  0.0029210400000000, -0.0006659600000000 ]  - [  -0.0018475400000000,  0.0038134900000000, -0.0027777600000000 ]  - [  -0.0012330300000000, -0.0046120100000000,  0.0044590300000000 ]  - [   0.0045338600000000,  0.0001247000000000,  0.0019921500000000 ]  - [  -0.0029256800000000,  0.0042060200000000,  0.0047981600000000 ]  - [  -0.0412563200000000,  0.0284986900000000, -0.0300883700000000 ]  - [  -0.0416603300000000,  0.0263491900000000,  0.0298816900000000 ]  - [   0.0016018000000000, -0.0005625900000000, -0.0002846600000000 ]  - [   0.0075663800000000,  0.0025212000000000, -0.0025851000000000 ]  - [  -0.0339312500000000, -0.0189999500000000, -0.0189065400000000 ]  - [  -0.0045647800000000, -0.0028871700000000, -0.0021327000000000 ]  - [   0.0090355400000000, -0.0015466000000000,  0.0021688800000000 ]  - [  -0.0051848500000000,  0.0003004800000000, -0.0023989500000000 ]  - [   0.0053810500000000, -0.0029575300000000, -0.0001884000000000 ]  - [   0.0058316700000000,  0.0001413600000000, -0.0029708600000000 ]  - [   0.0022003000000000, -0.0001981100000000,  0.0005155900000000 ]  - [   0.0020904900000000,  0.0004080100000000,  0.0001141800000000 ]  - [  -0.0434245300000000, -0.0315141000000000,  0.0266426800000000 ]  - [   0.0092776800000000, -0.0022775900000000, -0.0014005000000000 ]  - [  -0.0058042700000000, -0.0024293700000000,  0.0014741200000000 ]  - [  -0.0054850400000000,  0.0009216500000000, -0.0002444400000000 ]  - [   0.0022252900000000, -0.0005803000000000, -0.0133734600000000 ]  - [   0.1921161300000000, -0.0077108400000000, -0.0079682500000000 ]  - [  -0.0014997700000000,  0.0055618600000000,  0.0054890100000000 ]  - [   0.0006732100000000, -0.0055103700000000,  0.0064652800000000 ]  - [  -0.0015431100000000,  0.0049240600000000, -0.0064668500000000 ]  - [  -0.0045633000000000,  0.0003196600000000,  0.0000519300000000 ]  - [   0.0066053300000000, -0.0001434400000000, -0.0003203900000000 ]  - [  -0.0048848800000000, -0.0000516600000000, -0.0001435700000000 ]  - [  -0.0011540600000000, -0.0053476100000000, -0.0037461900000000 ]  - [  -0.0220096400000000,  0.0056494200000000,  0.0060024600000000 ]  - [  -0.0028389800000000,  0.0006696900000000,  0.0011316000000000 ]  - [  -0.0206254900000000, -0.0043572500000000, -0.0055786400000000 ]  - [   0.0040823800000000,  0.0151063200000000,  0.0003519400000000 ]  - [  -0.0250423400000000, -0.0064487200000000,  0.0045404900000000 ]  - [   0.0012295500000000,  0.0142742300000000,  0.0007601300000000 ]  - [   0.0031489000000000,  0.0012132600000000, -0.0135242500000000 ]  - [  -0.0033967400000000,  0.0006728500000000, -0.0001912400000000 ]  - [   0.0046139700000000, -0.0006874700000000,  0.0148461700000000 ]  - [   0.0044515200000000, -0.0119159800000000,  0.0009009100000000 ]  - [  -0.0030609400000000, -0.0011009800000000,  0.0004916300000000 ]