# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3cf03754-4581-4cdd-8160-e554069433b8/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 Na3SbO3 / I-43m (217) / materials id 8076](https://mdr.nims.go.jp/datasets/c01ef3cc-2dc9-4107-9bcd-c0a1df3b40b7)

## 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: "I-43m"  number: 217  Hall_symbol: "I -4 2 3"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:  - [    -4.742193585000000,     4.742193585000000,     4.742193585000000 ] # a  - [     4.742193585000000,    -4.742193585000000,     4.742193585000000 ] # b  - [     4.742193585000000,     4.742193585000000,    -4.742193585000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.221443850000000,  0.221443850000000,  0.742553320000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.778556150000000,  0.000000000000000,  0.521109470000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.778556150000000,  0.521109470000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.742553320000000,  0.221443850000000,  0.221443850000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.778556150000000,  0.521109470000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.521109470000000,  0.778556150000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.478890530000000,  0.478890530000000,  0.257446680000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.257446680000000,  0.478890530000000,  0.478890530000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.478890530000000,  0.257446680000000,  0.478890530000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.000000000000000,  0.521109470000000,  0.778556150000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.521109470000000,  0.000000000000000,  0.778556150000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.221443850000000,  0.742553320000000,  0.221443850000000 ]    mass: 15.999400  - symbol: Na # 13    coordinates: [  0.519091230000000,  0.000000000000000,  0.274350130000000 ]    mass: 22.989769  - symbol: Na # 14    coordinates: [  0.000000000000000,  0.519091230000000,  0.274350130000000 ]    mass: 22.989769  - symbol: Na # 15    coordinates: [  0.480908770000000,  0.480908770000000,  0.755258900000000 ]    mass: 22.989769  - symbol: Na # 16    coordinates: [  0.480908770000000,  0.755258900000000,  0.480908770000000 ]    mass: 22.989769  - symbol: Na # 17    coordinates: [  0.725649870000000,  0.244741100000000,  0.725649870000000 ]    mass: 22.989769  - symbol: Na # 18    coordinates: [  0.274350130000000,  0.000000000000000,  0.519091230000000 ]    mass: 22.989769  - symbol: Na # 19    coordinates: [  0.000000000000000,  0.274350130000000,  0.519091230000000 ]    mass: 22.989769  - symbol: Na # 20    coordinates: [  0.244741100000000,  0.725649870000000,  0.725649870000000 ]    mass: 22.989769  - symbol: Na # 21    coordinates: [  0.274350130000000,  0.519091230000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Na # 22    coordinates: [  0.519091230000000,  0.274350130000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Na # 23    coordinates: [  0.725649870000000,  0.725649870000000,  0.244741100000000 ]    mass: 22.989769  - symbol: Na # 24    coordinates: [  0.755258900000000,  0.480908770000000,  0.480908770000000 ]    mass: 22.989769  - symbol: Sb # 25    coordinates: [  0.286230680000000,  0.286230680000000,  0.286230680000000 ]    mass: 121.760000  - symbol: Sb # 26    coordinates: [  0.000000000000000,  0.713769320000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.713769320000000 ]    mass: 121.760000  - symbol: Sb # 28    coordinates: [  0.713769320000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.105436438019221,     0.105436438019221 ] # a*  - [     0.105436438019221,     0.000000000000000,     0.105436438019221 ] # b*  - [     0.105436438019221,     0.105436438019221,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     9.484387170000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.484387170000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.484387170000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.871276660000000,  0.871276660000000,  0.350167190000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.371276660000000,  0.149832810000000,  0.628723340000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.649832810000000,  0.871276660000000,  0.128723340000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.350167190000000,  0.871276660000000,  0.871276660000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.371276660000000,  0.628723340000000,  0.149832810000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.628723340000000,  0.371276660000000,  0.149832810000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.628723340000000,  0.628723340000000,  0.850167190000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.850167190000000,  0.628723340000000,  0.628723340000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.628723340000000,  0.850167190000000,  0.628723340000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.649832810000000,  0.128723340000000,  0.871276660000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.628723340000000,  0.149832810000000,  0.371276660000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.871276660000000,  0.350167190000000,  0.871276660000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.371276660000000,  0.371276660000000,  0.850167190000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.871276660000000,  0.649832810000000,  0.128723340000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.149832810000000,  0.371276660000000,  0.628723340000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.850167190000000,  0.371276660000000,  0.371276660000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.871276660000000,  0.128723340000000,  0.649832810000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.128723340000000,  0.871276660000000,  0.649832810000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.128723340000000,  0.128723340000000,  0.350167190000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.350167190000000,  0.128723340000000,  0.128723340000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.128723340000000,  0.350167190000000,  0.128723340000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.149832810000000,  0.628723340000000,  0.371276660000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.128723340000000,  0.649832810000000,  0.871276660000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.371276660000000,  0.850167190000000,  0.371276660000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Na # 25    coordinates: [  0.377629450000000,  0.896720680000000,  0.622370550000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 26    coordinates: [  0.396720680000000,  0.877629450000000,  0.122370550000000 ]    mass: 22.989769    reduced_to: 26  - symbol: Na # 27    coordinates: [  0.877629450000000,  0.877629450000000,  0.603279320000000 ]    mass: 22.989769    reduced_to: 27  - symbol: Na # 28    coordinates: [  0.877629450000000,  0.603279320000000,  0.877629450000000 ]    mass: 22.989769    reduced_to: 28  - symbol: Na # 29    coordinates: [  0.622370550000000,  0.103279320000000,  0.622370550000000 ]    mass: 22.989769    reduced_to: 29  - symbol: Na # 30    coordinates: [  0.622370550000000,  0.896720680000000,  0.377629450000000 ]    mass: 22.989769    reduced_to: 30  - symbol: Na # 31    coordinates: [  0.396720680000000,  0.122370550000000,  0.877629450000000 ]    mass: 22.989769    reduced_to: 31  - symbol: Na # 32    coordinates: [  0.103279320000000,  0.622370550000000,  0.622370550000000 ]    mass: 22.989769    reduced_to: 32  - symbol: Na # 33    coordinates: [  0.622370550000000,  0.377629450000000,  0.896720680000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 34    coordinates: [  0.377629450000000,  0.622370550000000,  0.896720680000000 ]    mass: 22.989769    reduced_to: 34  - symbol: Na # 35    coordinates: [  0.622370550000000,  0.622370550000000,  0.103279320000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 36    coordinates: [  0.603279320000000,  0.877629450000000,  0.877629450000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Na # 37    coordinates: [  0.877629450000000,  0.396720680000000,  0.122370550000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 38    coordinates: [  0.896720680000000,  0.377629450000000,  0.622370550000000 ]    mass: 22.989769    reduced_to: 26  - symbol: Na # 39    coordinates: [  0.377629450000000,  0.377629450000000,  0.103279320000000 ]    mass: 22.989769    reduced_to: 27  - symbol: Na # 40    coordinates: [  0.377629450000000,  0.103279320000000,  0.377629450000000 ]    mass: 22.989769    reduced_to: 28  - symbol: Na # 41    coordinates: [  0.122370550000000,  0.603279320000000,  0.122370550000000 ]    mass: 22.989769    reduced_to: 29  - symbol: Na # 42    coordinates: [  0.122370550000000,  0.396720680000000,  0.877629450000000 ]    mass: 22.989769    reduced_to: 30  - symbol: Na # 43    coordinates: [  0.896720680000000,  0.622370550000000,  0.377629450000000 ]    mass: 22.989769    reduced_to: 31  - symbol: Na # 44    coordinates: [  0.603279320000000,  0.122370550000000,  0.122370550000000 ]    mass: 22.989769    reduced_to: 32  - symbol: Na # 45    coordinates: [  0.122370550000000,  0.877629450000000,  0.396720680000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 46    coordinates: [  0.877629450000000,  0.122370550000000,  0.396720680000000 ]    mass: 22.989769    reduced_to: 34  - symbol: Na # 47    coordinates: [  0.122370550000000,  0.122370550000000,  0.603279320000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 48    coordinates: [  0.103279320000000,  0.377629450000000,  0.377629450000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Sb # 49    coordinates: [  0.643115340000000,  0.643115340000000,  0.643115340000000 ]    mass: 121.760000    reduced_to: 49  - symbol: Sb # 50    coordinates: [  0.856884660000000,  0.143115340000000,  0.856884660000000 ]    mass: 121.760000    reduced_to: 50  - symbol: Sb # 51    coordinates: [  0.356884660000000,  0.356884660000000,  0.643115340000000 ]    mass: 121.760000    reduced_to: 51  - symbol: Sb # 52    coordinates: [  0.143115340000000,  0.856884660000000,  0.856884660000000 ]    mass: 121.760000    reduced_to: 52  - symbol: Sb # 53    coordinates: [  0.143115340000000,  0.143115340000000,  0.143115340000000 ]    mass: 121.760000    reduced_to: 49  - symbol: Sb # 54    coordinates: [  0.356884660000000,  0.643115340000000,  0.356884660000000 ]    mass: 121.760000    reduced_to: 50  - symbol: Sb # 55    coordinates: [  0.856884660000000,  0.856884660000000,  0.143115340000000 ]    mass: 121.760000    reduced_to: 51  - symbol: Sb # 56    coordinates: [  0.643115340000000,  0.356884660000000,  0.356884660000000 ]    mass: 121.760000    reduced_to: 52supercell:  lattice:  - [     9.484387170000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.484387170000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.484387170000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.871276660000000,  0.871276660000000,  0.350167190000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.371276660000000,  0.149832810000000,  0.628723340000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.649832810000000,  0.871276660000000,  0.128723340000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.350167190000000,  0.871276660000000,  0.871276660000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.371276660000000,  0.628723340000000,  0.149832810000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.628723340000000,  0.371276660000000,  0.149832810000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.628723340000000,  0.628723340000000,  0.850167190000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.850167190000000,  0.628723340000000,  0.628723340000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.628723340000000,  0.850167190000000,  0.628723340000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.649832810000000,  0.128723340000000,  0.871276660000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.628723340000000,  0.149832810000000,  0.371276660000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.871276660000000,  0.350167190000000,  0.871276660000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.371276660000000,  0.371276660000000,  0.850167190000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.871276660000000,  0.649832810000000,  0.128723340000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.149832810000000,  0.371276660000000,  0.628723340000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.850167190000000,  0.371276660000000,  0.371276660000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.871276660000000,  0.128723340000000,  0.649832810000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.128723340000000,  0.871276660000000,  0.649832810000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.128723340000000,  0.128723340000000,  0.350167190000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.350167190000000,  0.128723340000000,  0.128723340000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.128723340000000,  0.350167190000000,  0.128723340000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.149832810000000,  0.628723340000000,  0.371276660000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.128723340000000,  0.649832810000000,  0.871276660000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.371276660000000,  0.850167190000000,  0.371276660000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Na # 25    coordinates: [  0.377629450000000,  0.896720680000000,  0.622370550000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 26    coordinates: [  0.396720680000000,  0.877629450000000,  0.122370550000000 ]    mass: 22.989769    reduced_to: 26  - symbol: Na # 27    coordinates: [  0.877629450000000,  0.877629450000000,  0.603279320000000 ]    mass: 22.989769    reduced_to: 27  - symbol: Na # 28    coordinates: [  0.877629450000000,  0.603279320000000,  0.877629450000000 ]    mass: 22.989769    reduced_to: 28  - symbol: Na # 29    coordinates: [  0.622370550000000,  0.103279320000000,  0.622370550000000 ]    mass: 22.989769    reduced_to: 29  - symbol: Na # 30    coordinates: [  0.622370550000000,  0.896720680000000,  0.377629450000000 ]    mass: 22.989769    reduced_to: 30  - symbol: Na # 31    coordinates: [  0.396720680000000,  0.122370550000000,  0.877629450000000 ]    mass: 22.989769    reduced_to: 31  - symbol: Na # 32    coordinates: [  0.103279320000000,  0.622370550000000,  0.622370550000000 ]    mass: 22.989769    reduced_to: 32  - symbol: Na # 33    coordinates: [  0.622370550000000,  0.377629450000000,  0.896720680000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 34    coordinates: [  0.377629450000000,  0.622370550000000,  0.896720680000000 ]    mass: 22.989769    reduced_to: 34  - symbol: Na # 35    coordinates: [  0.622370550000000,  0.622370550000000,  0.103279320000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 36    coordinates: [  0.603279320000000,  0.877629450000000,  0.877629450000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Na # 37    coordinates: [  0.877629450000000,  0.396720680000000,  0.122370550000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 38    coordinates: [  0.896720680000000,  0.377629450000000,  0.622370550000000 ]    mass: 22.989769    reduced_to: 26  - symbol: Na # 39    coordinates: [  0.377629450000000,  0.377629450000000,  0.103279320000000 ]    mass: 22.989769    reduced_to: 27  - symbol: Na # 40    coordinates: [  0.377629450000000,  0.103279320000000,  0.377629450000000 ]    mass: 22.989769    reduced_to: 28  - symbol: Na # 41    coordinates: [  0.122370550000000,  0.603279320000000,  0.122370550000000 ]    mass: 22.989769    reduced_to: 29  - symbol: Na # 42    coordinates: [  0.122370550000000,  0.396720680000000,  0.877629450000000 ]    mass: 22.989769    reduced_to: 30  - symbol: Na # 43    coordinates: [  0.896720680000000,  0.622370550000000,  0.377629450000000 ]    mass: 22.989769    reduced_to: 31  - symbol: Na # 44    coordinates: [  0.603279320000000,  0.122370550000000,  0.122370550000000 ]    mass: 22.989769    reduced_to: 32  - symbol: Na # 45    coordinates: [  0.122370550000000,  0.877629450000000,  0.396720680000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 46    coordinates: [  0.877629450000000,  0.122370550000000,  0.396720680000000 ]    mass: 22.989769    reduced_to: 34  - symbol: Na # 47    coordinates: [  0.122370550000000,  0.122370550000000,  0.603279320000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 48    coordinates: [  0.103279320000000,  0.377629450000000,  0.377629450000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Sb # 49    coordinates: [  0.643115340000000,  0.643115340000000,  0.643115340000000 ]    mass: 121.760000    reduced_to: 49  - symbol: Sb # 50    coordinates: [  0.856884660000000,  0.143115340000000,  0.856884660000000 ]    mass: 121.760000    reduced_to: 50  - symbol: Sb # 51    coordinates: [  0.356884660000000,  0.356884660000000,  0.643115340000000 ]    mass: 121.760000    reduced_to: 51  - symbol: Sb # 52    coordinates: [  0.143115340000000,  0.856884660000000,  0.856884660000000 ]    mass: 121.760000    reduced_to: 52  - symbol: Sb # 53    coordinates: [  0.143115340000000,  0.143115340000000,  0.143115340000000 ]    mass: 121.760000    reduced_to: 49  - symbol: Sb # 54    coordinates: [  0.356884660000000,  0.643115340000000,  0.356884660000000 ]    mass: 121.760000    reduced_to: 50  - symbol: Sb # 55    coordinates: [  0.856884660000000,  0.856884660000000,  0.143115340000000 ]    mass: 121.760000    reduced_to: 51  - symbol: Sb # 56    coordinates: [  0.643115340000000,  0.356884660000000,  0.356884660000000 ]    mass: 121.760000    reduced_to: 52displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0474065700000000,  0.0020164500000000, -0.0137848400000000 ]  - [   0.0006605900000000,  0.0001461500000000, -0.0000954800000000 ]  - [   0.0000153900000000, -0.0009851900000000,  0.0153490800000000 ]  - [   0.0015302700000000, -0.0000451300000000,  0.0002827900000000 ]  - [   0.0008990400000000,  0.0000470800000000, -0.0007023600000000 ]  - [   0.0000237200000000, -0.0000473400000000,  0.0006532900000000 ]  - [  -0.0001798900000000,  0.0006518000000000, -0.0003403100000000 ]  - [  -0.0017736600000000,  0.0002024500000000, -0.0003060700000000 ]  - [   0.0014526400000000,  0.0014836200000000, -0.0031518300000000 ]  - [  -0.0008934400000000, -0.0005566400000000,  0.0003402400000000 ]  - [   0.0014512600000000, -0.0045502600000000, -0.0002021100000000 ]  - [  -0.0004466300000000,  0.0006829100000000, -0.0000444900000000 ]  - [   0.0003499500000000,  0.0001889900000000, -0.0001778600000000 ]  - [  -0.0030762000000000,  0.0007354600000000,  0.0009837900000000 ]  - [   0.0005522700000000,  0.0000957000000000,  0.0001932400000000 ]  - [  -0.0013369100000000,  0.0001468400000000,  0.0000361800000000 ]  - [  -0.0010994300000000,  0.0000960100000000, -0.0005724700000000 ]  - [   0.0008261200000000, -0.0000930500000000,  0.0031073500000000 ]  - [   0.0025405000000000,  0.0037007600000000, -0.0019352500000000 ]  - [   0.0016125600000000, -0.0001870000000000, -0.0003428300000000 ]  - [  -0.0000987800000000,  0.0006656500000000, -0.0005603100000000 ]  - [   0.0046893200000000, -0.0031778600000000,  0.0003079600000000 ]  - [  -0.0000997600000000, -0.0004187800000000,  0.0001891200000000 ]  - [   0.0028517100000000,  0.0005764600000000,  0.0001459000000000 ]  - [  -0.0010229700000000,  0.0000975900000000, -0.0000427400000000 ]  - [  -0.0013977000000000,  0.0000209100000000,  0.0002330800000000 ]  - [   0.0034309900000000,  0.0001528900000000,  0.0003001700000000 ]  - [   0.0003190000000000,  0.0000040900000000,  0.0000285800000000 ]  - [  -0.0002181200000000,  0.0007412200000000,  0.0008802900000000 ]  - [   0.0062495100000000, -0.0003958200000000,  0.0002313100000000 ]  - [  -0.0003029400000000,  0.0001377500000000,  0.0000188200000000 ]  - [  -0.0000234300000000,  0.0006747300000000, -0.0006786800000000 ]  - [   0.0000251600000000, -0.0002237800000000, -0.0000343700000000 ]  - [  -0.0004963000000000, -0.0000729600000000,  0.0000881600000000 ]  - [  -0.0004223300000000, -0.0010061400000000, -0.0005372500000000 ]  - [   0.0000056000000000,  0.0002358400000000, -0.0004384300000000 ]  - [   0.0004109100000000, -0.0001968600000000, -0.0000616800000000 ]  - [   0.0003089200000000, -0.0002297600000000,  0.0000936800000000 ]  - [  -0.0004703700000000, -0.0000914200000000,  0.0000163600000000 ]  - [  -0.0013184800000000,  0.0000306200000000, -0.0001396800000000 ]  - [   0.0000656600000000,  0.0002868500000000,  0.0007205100000000 ]  - [   0.0000243500000000, -0.0000641000000000,  0.0001161000000000 ]  - [   0.0038078500000000, -0.0004885300000000,  0.0000475400000000 ]  - [  -0.0004555100000000,  0.0009809300000000, -0.0006458200000000 ]  - [   0.0056754900000000,  0.0002177300000000,  0.0005760500000000 ]  - [   0.0037853300000000,  0.0002884200000000,  0.0001395900000000 ]  - [  -0.0003299300000000, -0.0006979600000000, -0.0008270900000000 ]  - [   0.0002752300000000, -0.0001778000000000, -0.0002249600000000 ]  - [   0.0004579700000000, -0.0024990000000000,  0.0011491700000000 ]  - [   0.0015344800000000, -0.0001795200000000, -0.0000952900000000 ]  - [  -0.0007406300000000, -0.0002224000000000,  0.0002246300000000 ]  - [  -0.0008532400000000,  0.0002875500000000, -0.0011090400000000 ]  - [  -0.0012066000000000, -0.0006590800000000,  0.0030568100000000 ]  - [  -0.0029415200000000, -0.0004811400000000,  0.0002368600000000 ]  - [   0.0217530800000000,  0.0009065600000000, -0.0023286200000000 ]  - [   0.0010264700000000,  0.0012474900000000, -0.0003668200000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0476454600000000, -0.0021162100000000,  0.0129407500000000 ]  - [  -0.0005771700000000, -0.0000652700000000,  0.0000127400000000 ]  - [  -0.0000008400000000,  0.0010651700000000, -0.0156127400000000 ]  - [  -0.0016272700000000,  0.0001325900000000, -0.0001957400000000 ]  - [  -0.0008122800000000, -0.0001350500000000,  0.0007755300000000 ]  - [  -0.0001030000000000,  0.0001348900000000, -0.0005754900000000 ]  - [   0.0000999500000000, -0.0007387700000000,  0.0002652300000000 ]  - [   0.0016916400000000, -0.0002863500000000,  0.0002205100000000 ]  - [  -0.0015362700000000, -0.0015718500000000,  0.0030846000000000 ]  - [   0.0009833600000000,  0.0004733100000000, -0.0002568000000000 ]  - [  -0.0015374500000000,  0.0046554100000000,  0.0002860700000000 ]  - [   0.0005327200000000, -0.0007678300000000,  0.0001329000000000 ]  - [  -0.0002662500000000, -0.0001049400000000,  0.0000989800000000 ]  - [   0.0031574700000000, -0.0006000700000000, -0.0010670600000000 ]  - [  -0.0004755400000000, -0.0000121700000000, -0.0002751600000000 ]  - [   0.0012590300000000, -0.0000595000000000,  0.0000457100000000 ]  - [   0.0011860000000000, -0.0001797000000000,  0.0006629300000000 ]  - [  -0.0009091000000000,  0.0001825500000000, -0.0029893600000000 ]  - [  -0.0026124600000000, -0.0037495600000000,  0.0018396000000000 ]  - [  -0.0016952800000000,  0.0001029200000000,  0.0002538100000000 ]  - [   0.0000090500000000, -0.0007413600000000,  0.0004696600000000 ]  - [  -0.0045891600000000,  0.0030583400000000, -0.0002191700000000 ]  - [   0.0000082100000000,  0.0005030000000000, -0.0001009400000000 ]  - [  -0.0027649300000000, -0.0006673100000000, -0.0000610500000000 ]  - [   0.0009771400000000, -0.0000324200000000,  0.0000821100000000 ]  - [   0.0014586200000000, -0.0000659400000000, -0.0001787100000000 ]  - [  -0.0034741000000000, -0.0001991700000000, -0.0003829300000000 ]  - [  -0.0003662200000000, -0.0000716100000000, -0.0000880800000000 ]  - [   0.0002633100000000, -0.0008091500000000, -0.0008370800000000 ]  - [  -0.0069304900000000,  0.0005454200000000, -0.0002060100000000 ]  - [   0.0003683000000000, -0.0000890500000000, -0.0000681700000000 ]  - [  -0.0000403600000000, -0.0006231000000000,  0.0007202000000000 ]  - [   0.0000151800000000,  0.0001747000000000,  0.0000969500000000 ]  - [   0.0004475600000000,  0.0001151200000000, -0.0000240400000000 ]  - [   0.0004607400000000,  0.0010567400000000,  0.0004814100000000 ]  - [  -0.0000739000000000, -0.0002817700000000,  0.0003858200000000 ]  - [  -0.0004553100000000,  0.0002513300000000,  0.0001109200000000 ]  - [  -0.0002442700000000,  0.0001854700000000, -0.0000478900000000 ]  - [   0.0004248900000000,  0.0000474300000000, -0.0000789000000000 ]  - [   0.0012702000000000, -0.0001001600000000,  0.0000910600000000 ]  - [  -0.0000078400000000, -0.0003458600000000, -0.0006611400000000 ]  - [   0.0000256700000000,  0.0001288800000000, -0.0001663100000000 ]  - [  -0.0037501600000000,  0.0005624800000000, -0.0000916300000000 ]  - [   0.0003887000000000, -0.0009346100000000,  0.0006999900000000 ]  - [  -0.0050364600000000, -0.0002495400000000, -0.0004031000000000 ]  - [  -0.0038333300000000, -0.0002684100000000, -0.0000823600000000 ]  - [   0.0003798100000000,  0.0007427600000000,  0.0007544400000000 ]  - [  -0.0003354300000000,  0.0001308500000000,  0.0001769100000000 ]  - [  -0.0002409200000000,  0.0027287200000000, -0.0009379800000000 ]  - [  -0.0017774200000000,  0.0004049000000000, -0.0001352000000000 ]  - [   0.0005150900000000, -0.0000048100000000, -0.0000019000000000 ]  - [   0.0010815500000000, -0.0005276500000000,  0.0008716800000000 ]  - [   0.0014331500000000,  0.0008815400000000, -0.0028037400000000 ]  - [   0.0027068800000000,  0.0007180300000000, -0.0004579200000000 ]  - [  -0.0219034200000000, -0.0011072900000000,  0.0032995500000000 ]  - [  -0.0008130800000000, -0.0014760600000000,  0.0001465300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0129151400000000, -0.0129151400000000, -0.1865896000000000 ]  - [  -0.0000623100000000,  0.0001702200000000,  0.0004663900000000 ]  - [   0.0118521300000000, -0.0006176000000000, -0.0000245400000000 ]  - [  -0.0006031800000000,  0.0007664100000000,  0.0016243900000000 ]  - [   0.0007797700000000,  0.0005697100000000, -0.0015220000000000 ]  - [   0.0005697100000000,  0.0007797700000000, -0.0015220000000000 ]  - [   0.0002557100000000,  0.0002557100000000,  0.0046011900000000 ]  - [  -0.0023032900000000, -0.0046620800000000,  0.0045983300000000 ]  - [  -0.0046620800000000, -0.0023032900000000,  0.0045983300000000 ]  - [  -0.0000998600000000, -0.0007439000000000,  0.0016950500000000 ]  - [  -0.0015582600000000,  0.0022822300000000, -0.0016956900000000 ]  - [   0.0007664100000000, -0.0006031800000000,  0.0016243900000000 ]  - [  -0.0000954000000000, -0.0000954000000000,  0.0007077700000000 ]  - [  -0.0006176000000000,  0.0118521300000000, -0.0000245400000000 ]  - [   0.0001702200000000, -0.0000623100000000,  0.0004663900000000 ]  - [  -0.0001337900000000,  0.0006614200000000, -0.0012554000000000 ]  - [   0.0006589400000000,  0.0030133300000000,  0.0077917100000000 ]  - [   0.0030133300000000,  0.0006589400000000,  0.0077917100000000 ]  - [   0.0018271700000000,  0.0018271700000000, -0.0038715600000000 ]  - [   0.0000945700000000, -0.0005033000000000, -0.0009764700000000 ]  - [  -0.0005033000000000,  0.0000945700000000, -0.0009764700000000 ]  - [   0.0022822300000000, -0.0015582600000000, -0.0016956900000000 ]  - [  -0.0007439000000000, -0.0000998600000000,  0.0016950500000000 ]  - [   0.0006614200000000, -0.0001337900000000, -0.0012554000000000 ]  - [   0.0004342400000000, -0.0001464500000000, -0.0003224400000000 ]  - [  -0.0016872300000000, -0.0000862500000000,  0.0004797700000000 ]  - [  -0.0002729100000000, -0.0002729100000000,  0.0018121100000000 ]  - [  -0.0002144300000000, -0.0008904600000000, -0.0031066300000000 ]  - [   0.0010919400000000, -0.0014096400000000, -0.0011735800000000 ]  - [   0.0030843000000000, -0.0000410700000000,  0.0045397900000000 ]  - [   0.0001219900000000,  0.0003370800000000, -0.0005504800000000 ]  - [  -0.0014096400000000,  0.0010919400000000, -0.0011735800000000 ]  - [  -0.0002550500000000,  0.0001238600000000, -0.0003931300000000 ]  - [   0.0001238600000000, -0.0002550500000000, -0.0003931300000000 ]  - [  -0.0016896800000000, -0.0016896800000000, -0.0001280300000000 ]  - [  -0.0008904600000000, -0.0002144300000000, -0.0031066300000000 ]  - [  -0.0000862500000000, -0.0016872300000000,  0.0004797700000000 ]  - [  -0.0001464500000000,  0.0004342400000000, -0.0003224400000000 ]  - [   0.0000800500000000,  0.0000800500000000,  0.0000411800000000 ]  - [  -0.0000757200000000, -0.0000717500000000,  0.0004575500000000 ]  - [   0.0017963500000000, -0.0004702100000000,  0.0005910500000000 ]  - [   0.0003370800000000,  0.0001219900000000, -0.0005504800000000 ]  - [  -0.0000410700000000,  0.0030843000000000,  0.0045397900000000 ]  - [  -0.0004702100000000,  0.0017963500000000,  0.0005910500000000 ]  - [  -0.0031722800000000,  0.0000325700000000,  0.0028437000000000 ]  - [   0.0000325700000000, -0.0031722800000000,  0.0028437000000000 ]  - [  -0.0010519000000000, -0.0010519000000000, -0.0013367700000000 ]  - [  -0.0000717500000000, -0.0000757200000000,  0.0004575500000000 ]  - [   0.0039559700000000,  0.0039559700000000, -0.0035531500000000 ]  - [  -0.0022615900000000,  0.0008302300000000, -0.0048617900000000 ]  - [  -0.0001224600000000, -0.0001224600000000, -0.0008550100000000 ]  - [   0.0008302300000000, -0.0022615900000000, -0.0048617900000000 ]  - [   0.0006661500000000,  0.0006661500000000,  0.0045243400000000 ]  - [  -0.0012358400000000, -0.0000767200000000,  0.0015775700000000 ]  - [   0.0040434100000000,  0.0040434100000000,  0.1630812400000000 ]  - [  -0.0000767200000000, -0.0012358400000000,  0.0015775700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0138313800000000,  0.0138313800000000,  0.1959182300000000 ]  - [   0.0001486600000000, -0.0000848600000000, -0.0005611900000000 ]  - [  -0.0118891500000000,  0.0007183700000000, -0.0000425400000000 ]  - [   0.0005299900000000, -0.0006847400000000, -0.0015349800000000 ]  - [  -0.0006988600000000, -0.0006591300000000,  0.0016157200000000 ]  - [  -0.0006591300000000, -0.0006988600000000,  0.0016157200000000 ]  - [  -0.0003497600000000, -0.0003497600000000, -0.0046894200000000 ]  - [   0.0022176300000000,  0.0045436300000000, -0.0046800800000000 ]  - [   0.0045436300000000,  0.0022176300000000, -0.0046800800000000 ]  - [   0.0001785500000000,  0.0006641300000000, -0.0016139400000000 ]  - [   0.0014963500000000, -0.0022374100000000,  0.0017683400000000 ]  - [  -0.0006847400000000,  0.0005299900000000, -0.0015349800000000 ]  - [   0.0001803600000000,  0.0001803600000000, -0.0007941700000000 ]  - [   0.0007183700000000, -0.0118891500000000, -0.0000425400000000 ]  - [  -0.0000848600000000,  0.0001486600000000, -0.0005611900000000 ]  - [   0.0000515100000000, -0.0005828900000000,  0.0013395200000000 ]  - [  -0.0005765800000000, -0.0030839700000000, -0.0077100100000000 ]  - [  -0.0030839700000000, -0.0005765800000000, -0.0077100100000000 ]  - [  -0.0019477000000000, -0.0019477000000000,  0.0038060000000000 ]  - [  -0.0001833500000000,  0.0004191200000000,  0.0008999400000000 ]  - [   0.0004191200000000, -0.0001833500000000,  0.0008999400000000 ]  - [  -0.0022374100000000,  0.0014963500000000,  0.0017683400000000 ]  - [   0.0006641300000000,  0.0001785500000000, -0.0016139400000000 ]  - [  -0.0005828900000000,  0.0000515100000000,  0.0013395200000000 ]  - [  -0.0004795000000000,  0.0002101100000000,  0.0003766500000000 ]  - [   0.0017562300000000,  0.0000405500000000, -0.0004411800000000 ]  - [   0.0002444700000000,  0.0002444700000000, -0.0011872800000000 ]  - [   0.0001656800000000,  0.0008410900000000,  0.0030646000000000 ]  - [  -0.0010360700000000,  0.0013383000000000,  0.0012271500000000 ]  - [  -0.0030497000000000,  0.0001056200000000, -0.0045699800000000 ]  - [  -0.0000568500000000, -0.0002941500000000,  0.0004981600000000 ]  - [   0.0013383000000000, -0.0010360700000000,  0.0012271500000000 ]  - [   0.0003030300000000, -0.0001723100000000,  0.0004514100000000 ]  - [  -0.0001723100000000,  0.0003030300000000,  0.0004514100000000 ]  - [   0.0017405500000000,  0.0017405500000000,  0.0000514700000000 ]  - [   0.0008410900000000,  0.0001656800000000,  0.0030646000000000 ]  - [   0.0000405500000000,  0.0017562300000000, -0.0004411800000000 ]  - [   0.0002101100000000, -0.0004795000000000,  0.0003766500000000 ]  - [  -0.0001247600000000, -0.0001247600000000, -0.0001084000000000 ]  - [   0.0000292400000000,  0.0000089300000000, -0.0005052700000000 ]  - [  -0.0017487100000000,  0.0003991700000000, -0.0005578700000000 ]  - [  -0.0002941500000000, -0.0000568500000000,  0.0004981600000000 ]  - [   0.0001056200000000, -0.0030497000000000, -0.0045699800000000 ]  - [   0.0003991700000000, -0.0017487100000000, -0.0005578700000000 ]  - [   0.0032429400000000, -0.0000806700000000, -0.0027582900000000 ]  - [  -0.0000806700000000,  0.0032429400000000, -0.0027582900000000 ]  - [   0.0010931400000000,  0.0010931400000000,  0.0012817400000000 ]  - [   0.0000089300000000,  0.0000292400000000, -0.0005052700000000 ]  - [  -0.0037139900000000, -0.0037139900000000,  0.0037798900000000 ]  - [   0.0020463700000000, -0.0006243900000000,  0.0046496400000000 ]  - [  -0.0001039700000000, -0.0001039700000000,  0.0010842600000000 ]  - [  -0.0006243900000000,  0.0020463700000000,  0.0046496400000000 ]  - [  -0.0004317600000000, -0.0004317600000000, -0.0043484100000000 ]  - [   0.0010293800000000,  0.0002995200000000, -0.0018132100000000 ]  - [  -0.0049788000000000, -0.0049788000000000, -0.1729990500000000 ]  - [   0.0002995200000000,  0.0010293800000000, -0.0018132100000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0009559300000000, -0.0001652200000000,  0.0004147100000000 ]  - [   0.0034947000000000,  0.0002919400000000, -0.0002199200000000 ]  - [  -0.0003049100000000, -0.0000282600000000, -0.0001057300000000 ]  - [   0.0045122600000000,  0.0001128800000000,  0.0002412900000000 ]  - [   0.0003860100000000, -0.0003032900000000,  0.0002291400000000 ]  - [  -0.0000407200000000, -0.0000720500000000,  0.0003571600000000 ]  - [  -0.0000038000000000,  0.0009168800000000, -0.0018172600000000 ]  - [  -0.0031283500000000,  0.0003643300000000, -0.0001004400000000 ]  - [   0.0056260100000000,  0.0030995700000000,  0.0002464800000000 ]  - [  -0.0011603200000000, -0.0007454400000000, -0.0008202100000000 ]  - [  -0.0003953600000000, -0.0010358400000000,  0.0007641600000000 ]  - [  -0.0004292300000000,  0.0001065400000000, -0.0001565200000000 ]  - [   0.0004770000000000,  0.0000867400000000, -0.0000999600000000 ]  - [  -0.0004041000000000, -0.0000604500000000,  0.0000262000000000 ]  - [   0.0004961200000000, -0.0001630900000000, -0.0001299600000000 ]  - [  -0.0005642000000000,  0.0000843300000000,  0.0001834400000000 ]  - [  -0.0012509400000000,  0.0001120200000000,  0.0000923000000000 ]  - [   0.0061785700000000,  0.0005297200000000,  0.0031584800000000 ]  - [  -0.0002827300000000,  0.0006036100000000, -0.0011014800000000 ]  - [   0.0004401500000000,  0.0001590900000000,  0.0000734900000000 ]  - [  -0.0000366800000000,  0.0002363100000000, -0.0001358400000000 ]  - [   0.0006130500000000, -0.0007136900000000, -0.0006461100000000 ]  - [  -0.0004842100000000, -0.0016719400000000,  0.0010706100000000 ]  - [   0.0038533100000000,  0.0000113900000000,  0.0002900700000000 ]  - [  -0.0394570800000000, -0.0009386300000000,  0.0041573000000000 ]  - [  -0.0003138200000000, -0.0000348200000000, -0.0002289100000000 ]  - [   0.0019944000000000,  0.0002290200000000,  0.0000021000000000 ]  - [   0.0008189800000000,  0.0000516700000000,  0.0002451800000000 ]  - [   0.0039020100000000,  0.0048093800000000,  0.0001220900000000 ]  - [   0.0019795600000000, -0.0000627700000000, -0.0035427900000000 ]  - [  -0.0012970800000000,  0.0001103700000000,  0.0004099100000000 ]  - [   0.0014979200000000,  0.0019376100000000,  0.0002654500000000 ]  - [  -0.0000908200000000, -0.0002691100000000,  0.0001741400000000 ]  - [  -0.0011277600000000,  0.0002637500000000,  0.0000988800000000 ]  - [  -0.0000883700000000,  0.0001249600000000,  0.0002587400000000 ]  - [   0.0012741700000000, -0.0001166600000000,  0.0036771000000000 ]  - [   0.0002822600000000,  0.0000219200000000,  0.0000127400000000 ]  - [   0.0004025000000000, -0.0002717200000000,  0.0000279700000000 ]  - [  -0.0003279400000000, -0.0000262300000000, -0.0000550100000000 ]  - [  -0.0020702500000000, -0.0001128500000000, -0.0001113900000000 ]  - [   0.0001278200000000,  0.0001002400000000, -0.0002455900000000 ]  - [   0.0001395300000000,  0.0003156500000000,  0.0000572200000000 ]  - [   0.0005251500000000,  0.0001087300000000, -0.0002693700000000 ]  - [  -0.0001784700000000, -0.0000844800000000, -0.0000523600000000 ]  - [   0.0026912400000000,  0.0004149800000000,  0.0035495800000000 ]  - [   0.0006070600000000, -0.0000541100000000, -0.0000391100000000 ]  - [   0.0026935100000000, -0.0036426800000000,  0.0001655300000000 ]  - [   0.0001126200000000, -0.0001088500000000, -0.0001248600000000 ]  - [   0.0040488500000000, -0.0073760400000000,  0.0009826900000000 ]  - [   0.0011987300000000, -0.0000482700000000,  0.0000412000000000 ]  - [  -0.0003648700000000, -0.0001015400000000,  0.0004198400000000 ]  - [   0.0054688900000000,  0.0016041400000000, -0.0122533200000000 ]  - [  -0.0003753600000000, -0.0000735500000000,  0.0005806600000000 ]  - [  -0.0017986400000000,  0.0007821400000000,  0.0002501100000000 ]  - [   0.0004908300000000,  0.0002164400000000, -0.0001047100000000 ]  - [   0.0005987500000000,  0.0004752300000000, -0.0002851200000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0010414200000000,  0.0002499200000000, -0.0004984000000000 ]  - [  -0.0034114400000000, -0.0002231700000000,  0.0001328500000000 ]  - [   0.0003935400000000,  0.0001128400000000,  0.0000203600000000 ]  - [  -0.0046002200000000, -0.0000266800000000, -0.0001986400000000 ]  - [  -0.0003010000000000,  0.0002147100000000, -0.0001520800000000 ]  - [  -0.0000408000000000,  0.0001543100000000, -0.0002726200000000 ]  - [  -0.0000790900000000, -0.0009980600000000,  0.0017281900000000 ]  - [   0.0030422000000000, -0.0004592000000000,  0.0000167000000000 ]  - [  -0.0050856800000000, -0.0033141200000000, -0.0003096200000000 ]  - [   0.0012419000000000,  0.0006544900000000,  0.0008967400000000 ]  - [   0.0003128900000000,  0.0011098600000000, -0.0006770600000000 ]  - [   0.0005125800000000, -0.0001910900000000,  0.0002419300000000 ]  - [  -0.0003908900000000,  0.0000000600000000,  0.0000261100000000 ]  - [   0.0004890500000000,  0.0001437700000000, -0.0001117400000000 ]  - [  -0.0004235300000000,  0.0002484900000000,  0.0000437200000000 ]  - [   0.0004836100000000, -0.0000025600000000, -0.0000989600000000 ]  - [   0.0013347600000000, -0.0001961000000000, -0.0000103000000000 ]  - [  -0.0070010500000000, -0.0005235000000000, -0.0029724400000000 ]  - [   0.0001970700000000, -0.0006936700000000,  0.0010266900000000 ]  - [  -0.0005240000000000, -0.0002419400000000, -0.0001562500000000 ]  - [  -0.0000483200000000, -0.0003203500000000,  0.0000530700000000 ]  - [  -0.0005387300000000,  0.0006326600000000,  0.0007353500000000 ]  - [   0.0003976700000000,  0.0017589100000000, -0.0009925200000000 ]  - [  -0.0037668000000000, -0.0000996300000000, -0.0001767500000000 ]  - [   0.0394851300000000,  0.0012369400000000, -0.0042965800000000 ]  - [   0.0003779600000000, -0.0000107500000000,  0.0002787200000000 ]  - [  -0.0020367300000000, -0.0002777000000000, -0.0000617100000000 ]  - [  -0.0008631600000000, -0.0001155400000000, -0.0002944500000000 ]  - [  -0.0038232700000000, -0.0048192000000000, -0.0000733400000000 ]  - [  -0.0019194800000000,  0.0001272000000000,  0.0034609100000000 ]  - [   0.0013583600000000, -0.0000724600000000, -0.0004730600000000 ]  - [  -0.0015683700000000, -0.0019008900000000, -0.0002143600000000 ]  - [   0.0001344100000000,  0.0002196300000000, -0.0001110200000000 ]  - [   0.0010785100000000, -0.0002161300000000, -0.0000414100000000 ]  - [   0.0001367600000000, -0.0000764300000000, -0.0003195800000000 ]  - [  -0.0013281000000000,  0.0000663300000000, -0.0036953600000000 ]  - [  -0.0003260100000000,  0.0000424300000000,  0.0000351300000000 ]  - [  -0.0003357400000000,  0.0002272300000000,  0.0000202400000000 ]  - [   0.0002845200000000, -0.0000180800000000, -0.0000091000000000 ]  - [   0.0020245900000000,  0.0000310800000000,  0.0000846900000000 ]  - [  -0.0000754500000000, -0.0001644100000000,  0.0002949100000000 ]  - [  -0.0000890300000000, -0.0002509300000000, -0.0001078500000000 ]  - [  -0.0004598600000000, -0.0000620500000000,  0.0002195000000000 ]  - [   0.0001129200000000,  0.0001333000000000,  0.0001018500000000 ]  - [  -0.0026665100000000, -0.0004679600000000, -0.0035243600000000 ]  - [  -0.0006544500000000,  0.0000995100000000,  0.0001010100000000 ]  - [  -0.0026639400000000,  0.0037301200000000, -0.0002307000000000 ]  - [  -0.0001733900000000,  0.0000623200000000,  0.0000775400000000 ]  - [  -0.0037787900000000,  0.0075726000000000, -0.0007572300000000 ]  - [  -0.0014181400000000,  0.0002752900000000, -0.0002654000000000 ]  - [   0.0001443700000000, -0.0001356300000000, -0.0001937400000000 ]  - [  -0.0052998000000000, -0.0018484200000000,  0.0121340100000000 ]  - [   0.0006074600000000,  0.0002996900000000, -0.0003583300000000 ]  - [   0.0015883300000000, -0.0005369000000000, -0.0004632900000000 ]  - [  -0.0007146800000000, -0.0004435400000000,  0.0003282500000000 ]  - [  -0.0003735400000000, -0.0006966200000000,  0.0000597600000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0001080900000000,  0.0003203200000000, -0.0002209900000000 ]  - [  -0.0003097700000000,  0.0018724100000000,  0.0003097700000000 ]  - [   0.0002209900000000,  0.0003203200000000, -0.0001080900000000 ]  - [  -0.0001183200000000,  0.0038291300000000, -0.0004324400000000 ]  - [   0.0000063800000000, -0.0000076000000000, -0.0008224200000000 ]  - [   0.0000530600000000, -0.0002918900000000, -0.0000474600000000 ]  - [   0.0002718600000000, -0.0004673600000000,  0.0003957200000000 ]  - [   0.0008224200000000, -0.0000076000000000, -0.0000063800000000 ]  - [  -0.0005213200000000,  0.0027582500000000, -0.0001537800000000 ]  - [  -0.0013387700000000, -0.0000314000000000, -0.0007345300000000 ]  - [  -0.0008372600000000, -0.0012666000000000,  0.0008372600000000 ]  - [   0.0000977800000000, -0.0004611900000000, -0.0000224500000000 ]  - [  -0.0001807300000000, -0.0013877500000000, -0.0017629300000000 ]  - [  -0.0000045200000000,  0.0001156900000000,  0.0000045200000000 ]  - [   0.0017629300000000, -0.0013877500000000,  0.0001807300000000 ]  - [   0.0000474600000000, -0.0002918900000000, -0.0000530600000000 ]  - [  -0.0000238800000000,  0.0002655500000000, -0.0000014500000000 ]  - [   0.0004324400000000,  0.0038291300000000,  0.0001183200000000 ]  - [   0.0007345300000000, -0.0000314000000000,  0.0013387700000000 ]  - [   0.0000014500000000,  0.0002655500000000,  0.0000238800000000 ]  - [   0.0000224500000000, -0.0004611900000000, -0.0000977800000000 ]  - [  -0.0003957200000000, -0.0004673600000000, -0.0002718600000000 ]  - [  -0.0005502600000000, -0.0000544200000000,  0.0005502600000000 ]  - [   0.0001537800000000,  0.0027582500000000,  0.0005213200000000 ]  - [  -0.0011425500000000, -0.0266528300000000,  0.0011425500000000 ]  - [  -0.0000005100000000, -0.0003685800000000,  0.0000557100000000 ]  - [  -0.0000557100000000, -0.0003685800000000,  0.0000005100000000 ]  - [  -0.0001080200000000,  0.0001760400000000, -0.0001569200000000 ]  - [   0.0048602000000000,  0.0017978900000000, -0.0000475000000000 ]  - [   0.0001132400000000, -0.0011288400000000, -0.0001132400000000 ]  - [   0.0002191800000000,  0.0013274700000000,  0.0035290900000000 ]  - [   0.0013619200000000,  0.0015557100000000, -0.0000452200000000 ]  - [   0.0003139500000000,  0.0004696800000000,  0.0001221100000000 ]  - [   0.0000452200000000,  0.0015557100000000, -0.0013619200000000 ]  - [  -0.0001177000000000,  0.0001690000000000, -0.0001217600000000 ]  - [  -0.0002240300000000, -0.0013517100000000, -0.0002291600000000 ]  - [  -0.0000331900000000,  0.0001939500000000,  0.0000331900000000 ]  - [  -0.0002908400000000,  0.0003464500000000,  0.0000018100000000 ]  - [  -0.0000018100000000,  0.0003464500000000,  0.0002908400000000 ]  - [   0.0000475000000000,  0.0017978900000000, -0.0048602000000000 ]  - [   0.0001569200000000,  0.0001760400000000,  0.0001080200000000 ]  - [  -0.0002600200000000,  0.0004589300000000,  0.0002600200000000 ]  - [   0.0001217600000000,  0.0001690000000000,  0.0001177000000000 ]  - [   0.0000434800000000, -0.0001231600000000,  0.0000947500000000 ]  - [   0.0002291600000000, -0.0013517100000000,  0.0002240300000000 ]  - [  -0.0000947500000000, -0.0001231600000000, -0.0000434800000000 ]  - [  -0.0035290900000000,  0.0013274700000000, -0.0002191800000000 ]  - [  -0.0001221100000000,  0.0004696800000000, -0.0003139500000000 ]  - [  -0.0037648700000000,  0.0027502300000000, -0.0001491200000000 ]  - [   0.0004973000000000,  0.0001800600000000,  0.0000254400000000 ]  - [  -0.0005366200000000,  0.0055767400000000,  0.0005366200000000 ]  - [   0.0018482700000000, -0.0025629700000000, -0.0018482700000000 ]  - [  -0.0000254400000000,  0.0001800600000000, -0.0004973000000000 ]  - [   0.0001491200000000,  0.0027502300000000,  0.0037648700000000 ]  - [  -0.0001807100000000, -0.0003085900000000,  0.0001807100000000 ]  - [   0.0000256700000000,  0.0008462900000000, -0.0000256700000000 ]- atom:   25  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000218800000000, -0.0002344600000000,  0.0001349600000000 ]  - [   0.0003726600000000, -0.0011271000000000, -0.0003726600000000 ]  - [  -0.0001349600000000, -0.0002344600000000,  0.0000218800000000 ]  - [   0.0000283500000000, -0.0037303400000000,  0.0005056200000000 ]  - [   0.0000819600000000, -0.0000896600000000,  0.0009094600000000 ]  - [  -0.0001395900000000,  0.0003766400000000,  0.0001312900000000 ]  - [  -0.0003610100000000,  0.0003740600000000, -0.0004751200000000 ]  - [  -0.0009094600000000, -0.0000896600000000, -0.0000819600000000 ]  - [   0.0004541500000000, -0.0028459100000000,  0.0000681000000000 ]  - [   0.0014104600000000, -0.0000515400000000,  0.0008150900000000 ]  - [   0.0007449900000000,  0.0013503300000000, -0.0007449900000000 ]  - [  -0.0000142100000000,  0.0003811400000000,  0.0001082300000000 ]  - [   0.0002675100000000,  0.0014658500000000,  0.0016787600000000 ]  - [   0.0000901500000000, -0.0000356600000000, -0.0000901500000000 ]  - [  -0.0016787600000000,  0.0014658500000000, -0.0002675100000000 ]  - [  -0.0001312900000000,  0.0003766400000000,  0.0001395900000000 ]  - [   0.0001066900000000, -0.0003463900000000,  0.0000806700000000 ]  - [  -0.0005056200000000, -0.0037303400000000, -0.0000283500000000 ]  - [  -0.0008150900000000, -0.0000515400000000, -0.0014104600000000 ]  - [  -0.0000806700000000, -0.0003463900000000, -0.0001066900000000 ]  - [  -0.0001082300000000,  0.0003811400000000,  0.0000142100000000 ]  - [   0.0004751200000000,  0.0003740600000000,  0.0003610100000000 ]  - [   0.0004696200000000,  0.0001223100000000, -0.0004696200000000 ]  - [  -0.0000681000000000, -0.0028459100000000, -0.0004541500000000 ]  - [   0.0010313100000000,  0.0259739700000000, -0.0010313100000000 ]  - [   0.0000621700000000,  0.0003223100000000, -0.0000082600000000 ]  - [   0.0000082600000000,  0.0003223100000000, -0.0000621700000000 ]  - [   0.0000600400000000, -0.0002382900000000,  0.0001080500000000 ]  - [  -0.0047681300000000, -0.0018620500000000,  0.0000965800000000 ]  - [  -0.0000764900000000,  0.0011883300000000,  0.0000764900000000 ]  - [  -0.0001540700000000, -0.0012757600000000, -0.0035455400000000 ]  - [  -0.0014409500000000, -0.0015115400000000,  0.0000953100000000 ]  - [  -0.0002651100000000, -0.0005161900000000, -0.0000590700000000 ]  - [  -0.0000953100000000, -0.0015115400000000,  0.0014409500000000 ]  - [   0.0001679800000000, -0.0001175700000000,  0.0000591200000000 ]  - [   0.0001497400000000,  0.0013033300000000,  0.0001667400000000 ]  - [  -0.0000127500000000, -0.0001295200000000,  0.0000127500000000 ]  - [   0.0003524100000000, -0.0003919900000000,  0.0000466400000000 ]  - [  -0.0000466400000000, -0.0003919900000000, -0.0003524100000000 ]  - [  -0.0000965800000000, -0.0018620500000000,  0.0047681300000000 ]  - [  -0.0001080500000000, -0.0002382900000000, -0.0000600400000000 ]  - [   0.0003067100000000, -0.0003921100000000, -0.0003067100000000 ]  - [  -0.0000591200000000, -0.0001175700000000, -0.0001679800000000 ]  - [  -0.0001059100000000,  0.0001679100000000, -0.0000453500000000 ]  - [  -0.0001667400000000,  0.0013033300000000, -0.0001497400000000 ]  - [   0.0000453500000000,  0.0001679100000000,  0.0001059100000000 ]  - [   0.0035455400000000, -0.0012757600000000,  0.0001540700000000 ]  - [   0.0000590700000000, -0.0005161900000000,  0.0002651100000000 ]  - [   0.0040322400000000, -0.0025083900000000,  0.0003764400000000 ]  - [  -0.0007171200000000,  0.0000422400000000, -0.0002496000000000 ]  - [   0.0003138300000000, -0.0057663800000000, -0.0003138300000000 ]  - [  -0.0015845300000000,  0.0023678800000000,  0.0015845300000000 ]  - [   0.0002496000000000,  0.0000422400000000,  0.0007171200000000 ]  - [  -0.0003764400000000, -0.0025083900000000, -0.0040322400000000 ]  - [  -0.0000442100000000,  0.0000877300000000,  0.0000442100000000 ]  - [   0.0002010900000000, -0.0010665700000000, -0.0002010900000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0003997200000000, -0.0025794300000000,  0.0038097900000000 ]  - [  -0.0009313200000000, -0.0006823500000000,  0.0002487900000000 ]  - [   0.0017472700000000,  0.0003031100000000,  0.0003107300000000 ]  - [  -0.0037287600000000,  0.0010820900000000,  0.0010820900000000 ]  - [  -0.0009313200000000,  0.0002487900000000, -0.0006823500000000 ]  - [   0.0016175700000000, -0.0003671700000000, -0.0021054400000000 ]  - [   0.0218810800000000,  0.0009489500000000, -0.0048118300000000 ]  - [   0.1732054100000000,  0.0024715800000000,  0.0024715800000000 ]  - [   0.0218810800000000, -0.0048118300000000,  0.0009489500000000 ]  - [   0.0017472700000000,  0.0003107300000000,  0.0003031100000000 ]  - [   0.0016175700000000, -0.0021054400000000, -0.0003671700000000 ]  - [   0.0003997200000000,  0.0038097900000000, -0.0025794300000000 ]  - [  -0.0012846600000000, -0.0007296300000000,  0.0005068800000000 ]  - [   0.0009677100000000,  0.0002267000000000,  0.0005604700000000 ]  - [  -0.0047241500000000,  0.0010371500000000, -0.0000234000000000 ]  - [   0.0043967800000000,  0.0029796700000000,  0.0029796700000000 ]  - [   0.0009677100000000,  0.0005604700000000,  0.0002267000000000 ]  - [  -0.0028730700000000, -0.0013294900000000, -0.0010936400000000 ]  - [  -0.0006713400000000, -0.0001502100000000, -0.0000277400000000 ]  - [  -0.0010071300000000, -0.0001556300000000, -0.0001556300000000 ]  - [  -0.0006713400000000, -0.0000277400000000, -0.0001502100000000 ]  - [  -0.0047241500000000, -0.0000234000000000,  0.0010371500000000 ]  - [  -0.0028730700000000, -0.0010936400000000, -0.0013294900000000 ]  - [  -0.0012846600000000,  0.0005068800000000, -0.0007296300000000 ]  - [   0.0038880800000000, -0.0038456800000000,  0.0003771000000000 ]  - [   0.0001054700000000, -0.0002096900000000,  0.0001850600000000 ]  - [   0.0053895000000000,  0.0122567400000000, -0.0017662900000000 ]  - [   0.0053895000000000, -0.0017662900000000,  0.0122567400000000 ]  - [  -0.0002312600000000, -0.0004642100000000, -0.0002826200000000 ]  - [  -0.0016680800000000, -0.0002421300000000,  0.0008623200000000 ]  - [   0.0001054700000000,  0.0001850600000000, -0.0002096900000000 ]  - [   0.0056642200000000,  0.0000384900000000,  0.0000384900000000 ]  - [  -0.0016680800000000,  0.0008623200000000, -0.0002421300000000 ]  - [   0.0038880800000000,  0.0003771000000000, -0.0038456800000000 ]  - [  -0.0002312600000000, -0.0002826200000000, -0.0004642100000000 ]  - [  -0.0024886900000000, -0.0017751200000000, -0.0017751200000000 ]  - [  -0.0005152000000000, -0.0001032900000000,  0.0001749600000000 ]  - [   0.0026659600000000, -0.0075342500000000, -0.0006414000000000 ]  - [   0.0004692100000000,  0.0001500400000000,  0.0000549200000000 ]  - [   0.0004692100000000,  0.0000549200000000,  0.0001500400000000 ]  - [   0.0006278200000000, -0.0001020700000000,  0.0002395400000000 ]  - [   0.0013306200000000, -0.0005763400000000,  0.0004480300000000 ]  - [   0.0026659600000000, -0.0006414000000000, -0.0075342500000000 ]  - [  -0.0002300200000000,  0.0003536400000000,  0.0003536400000000 ]  - [   0.0013306200000000,  0.0004480300000000, -0.0005763400000000 ]  - [  -0.0005152000000000,  0.0001749600000000, -0.0001032900000000 ]  - [   0.0006278200000000,  0.0002395400000000, -0.0001020700000000 ]  - [   0.0009232600000000, -0.0006100100000000, -0.0006100100000000 ]  - [  -0.2374122700000000,  0.0002328300000000,  0.0002328300000000 ]  - [  -0.0017852600000000, -0.0015551800000000, -0.0002012600000000 ]  - [   0.0056471200000000,  0.0024146900000000,  0.0003593500000000 ]  - [   0.0032259800000000,  0.0015552500000000,  0.0015552500000000 ]  - [   0.0011531700000000,  0.0001190000000000,  0.0001190000000000 ]  - [   0.0056471200000000,  0.0003593500000000,  0.0024146900000000 ]  - [  -0.0017852600000000, -0.0002012600000000, -0.0015551800000000 ]  - [  -0.0078075200000000, -0.0003423500000000, -0.0003423500000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002969300000000,  0.0026511100000000, -0.0038630300000000 ]  - [   0.0010074700000000,  0.0007739300000000, -0.0003352000000000 ]  - [  -0.0016492700000000, -0.0002087300000000, -0.0003844000000000 ]  - [   0.0036121200000000, -0.0010046100000000, -0.0010046100000000 ]  - [   0.0010074700000000, -0.0003352000000000,  0.0007739300000000 ]  - [  -0.0016987100000000,  0.0004501900000000,  0.0022018400000000 ]  - [  -0.0217761900000000, -0.0010656700000000,  0.0041908800000000 ]  - [  -0.1628755000000000, -0.0031388200000000, -0.0031388200000000 ]  - [  -0.0217761900000000,  0.0041908800000000, -0.0010656700000000 ]  - [  -0.0016492700000000, -0.0003844000000000, -0.0002087300000000 ]  - [  -0.0016987100000000,  0.0022018400000000,  0.0004501900000000 ]  - [  -0.0002969300000000, -0.0038630300000000,  0.0026511100000000 ]  - [   0.0013569400000000,  0.0008115700000000, -0.0005970900000000 ]  - [  -0.0008662500000000, -0.0001465900000000, -0.0006392000000000 ]  - [   0.0047880700000000, -0.0009429600000000, -0.0000626400000000 ]  - [  -0.0044703500000000, -0.0028807800000000, -0.0028807800000000 ]  - [  -0.0008662500000000, -0.0006392000000000, -0.0001465900000000 ]  - [   0.0027707700000000,  0.0013960700000000,  0.0011715400000000 ]  - [   0.0005851800000000,  0.0000671200000000, -0.0000484200000000 ]  - [   0.0009255100000000,  0.0000716700000000,  0.0000716700000000 ]  - [   0.0005851800000000, -0.0000484200000000,  0.0000671200000000 ]  - [   0.0047880700000000, -0.0000626400000000, -0.0009429600000000 ]  - [   0.0027707700000000,  0.0011715400000000,  0.0013960700000000 ]  - [   0.0013569400000000, -0.0005970900000000,  0.0008115700000000 ]  - [  -0.0039387900000000,  0.0039492600000000, -0.0003350800000000 ]  - [  -0.0000330300000000,  0.0001619500000000, -0.0001387200000000 ]  - [  -0.0053855500000000, -0.0121329300000000,  0.0016698300000000 ]  - [  -0.0053855500000000,  0.0016698300000000, -0.0121329300000000 ]  - [   0.0002836900000000,  0.0003838400000000,  0.0003318000000000 ]  - [   0.0017204900000000,  0.0002836700000000, -0.0008791100000000 ]  - [  -0.0000330300000000, -0.0001387200000000,  0.0001619500000000 ]  - [  -0.0056732500000000,  0.0000029800000000,  0.0000029800000000 ]  - [   0.0017204900000000, -0.0008791100000000,  0.0002836700000000 ]  - [  -0.0039387900000000, -0.0003350800000000,  0.0039492600000000 ]  - [   0.0002836900000000,  0.0003318000000000,  0.0003838400000000 ]  - [   0.0024449400000000,  0.0016767600000000,  0.0016767600000000 ]  - [   0.0004640900000000,  0.0001705000000000, -0.0001313800000000 ]  - [  -0.0025931800000000,  0.0074114400000000,  0.0006813600000000 ]  - [  -0.0005086200000000, -0.0001944700000000, -0.0001207200000000 ]  - [  -0.0005086200000000, -0.0001207200000000, -0.0001944700000000 ]  - [  -0.0005811800000000,  0.0000359200000000, -0.0001898800000000 ]  - [  -0.0012828000000000,  0.0006363300000000, -0.0004925200000000 ]  - [  -0.0025931800000000,  0.0006813600000000,  0.0074114400000000 ]  - [   0.0001668000000000, -0.0003062000000000, -0.0003062000000000 ]  - [  -0.0012828000000000, -0.0004925200000000,  0.0006363300000000 ]  - [   0.0004640900000000, -0.0001313800000000,  0.0001705000000000 ]  - [  -0.0005811800000000, -0.0001898800000000,  0.0000359200000000 ]  - [  -0.0009870200000000,  0.0005609800000000,  0.0005609800000000 ]  - [   0.2267494400000000,  0.0010928000000000,  0.0010928000000000 ]  - [   0.0015372200000000,  0.0017673300000000, -0.0000324700000000 ]  - [  -0.0059007200000000, -0.0026883900000000, -0.0001194300000000 ]  - [  -0.0029931400000000, -0.0017653900000000, -0.0017653900000000 ]  - [  -0.0009238200000000,  0.0001047300000000,  0.0001047300000000 ]  - [  -0.0059007200000000, -0.0001194300000000, -0.0026883900000000 ]  - [   0.0015372200000000, -0.0000324700000000,  0.0017673300000000 ]  - [   0.0080188600000000,  0.0001374100000000,  0.0001374100000000 ]