# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7be3c79d-082a-452e-a452-f0a8c62c0489/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 Na4Sn3O8 / P4_132 (213) / materials id 530571](https://mdr.nims.go.jp/datasets/5bca7b5f-7563-42ca-95a1-3d6dfb71eef1)

## 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_132"  number: 213  Hall_symbol: "P 4bd 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     9.243997200000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.243997200000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.243997200000001 ] # c  points:  - symbol: Na # 1    coordinates: [  0.107208770000000,  0.875000000000000,  0.642791230000000 ]    mass: 22.989769  - symbol: Na # 2    coordinates: [  0.125000000000000,  0.142791230000000,  0.392791230000000 ]    mass: 22.989769  - symbol: Na # 3    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769  - symbol: Na # 4    coordinates: [  0.142791230000000,  0.392791230000000,  0.125000000000000 ]    mass: 22.989769  - symbol: Na # 5    coordinates: [  0.357208770000000,  0.607208770000000,  0.625000000000000 ]    mass: 22.989769  - symbol: Na # 6    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769  - symbol: Na # 7    coordinates: [  0.375000000000000,  0.857208770000000,  0.892791230000000 ]    mass: 22.989769  - symbol: Na # 8    coordinates: [  0.392791230000000,  0.125000000000000,  0.142791230000000 ]    mass: 22.989769  - symbol: Na # 9    coordinates: [  0.607208770000000,  0.625000000000000,  0.357208770000000 ]    mass: 22.989769  - symbol: Na # 10    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769  - symbol: Na # 11    coordinates: [  0.625000000000000,  0.357208770000000,  0.607208770000000 ]    mass: 22.989769  - symbol: Na # 12    coordinates: [  0.642791230000000,  0.107208770000000,  0.875000000000000 ]    mass: 22.989769  - symbol: Na # 13    coordinates: [  0.857208770000000,  0.892791230000000,  0.375000000000000 ]    mass: 22.989769  - symbol: Na # 14    coordinates: [  0.875000000000000,  0.642791230000000,  0.107208770000000 ]    mass: 22.989769  - symbol: Na # 15    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769  - symbol: Na # 16    coordinates: [  0.892791230000000,  0.375000000000000,  0.857208770000000 ]    mass: 22.989769  - symbol: O  # 17    coordinates: [  0.091660050000000,  0.634070390000000,  0.596334520000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.096334520000000,  0.408339950000000,  0.365929610000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.115929610000000,  0.658339950000000,  0.153665480000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.119505210000000,  0.119505210000000,  0.119505210000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.130494790000000,  0.869505210000000,  0.369505210000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.134070390000000,  0.903665480000000,  0.908339950000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.153665480000000,  0.115929610000000,  0.658339950000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.158339950000000,  0.346334520000000,  0.884070390000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.341660050000000,  0.653665480000000,  0.384070390000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.346334520000000,  0.884070390000000,  0.158339950000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.365929610000000,  0.096334520000000,  0.408339950000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.369505210000000,  0.130494790000000,  0.869505210000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.380494790000000,  0.880494790000000,  0.619505210000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.384070390000000,  0.341660050000000,  0.653665480000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.403665480000000,  0.591660050000000,  0.865929610000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.408339950000000,  0.365929610000000,  0.096334520000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.591660050000000,  0.865929610000000,  0.403665480000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.596334520000000,  0.091660050000000,  0.634070390000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.615929610000000,  0.841660050000000,  0.846334520000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.619505210000000,  0.380494790000000,  0.880494790000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.630494790000000,  0.630494790000000,  0.630494790000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.634070390000000,  0.596334520000000,  0.091660050000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.653665480000000,  0.384070390000000,  0.341660050000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.658339950000000,  0.153665480000000,  0.115929610000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.841660050000000,  0.846334520000000,  0.615929610000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.846334520000000,  0.615929610000000,  0.841660050000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.865929610000000,  0.403665480000000,  0.591660050000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.869505210000000,  0.369505210000000,  0.130494790000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.880494790000000,  0.619505210000000,  0.380494790000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.884070390000000,  0.158339950000000,  0.346334520000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.903665480000000,  0.908339950000000,  0.134070390000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.908339950000000,  0.134070390000000,  0.903665480000000 ]    mass: 15.999400  - symbol: Sn # 49    coordinates: [  0.118112340000000,  0.631887660000000,  0.375000000000000 ]    mass: 118.710000  - symbol: Sn # 50    coordinates: [  0.125000000000000,  0.881887660000000,  0.131887660000000 ]    mass: 118.710000  - symbol: Sn # 51    coordinates: [  0.131887660000000,  0.125000000000000,  0.881887660000000 ]    mass: 118.710000  - symbol: Sn # 52    coordinates: [  0.368112340000000,  0.875000000000000,  0.381887660000000 ]    mass: 118.710000  - symbol: Sn # 53    coordinates: [  0.375000000000000,  0.118112340000000,  0.631887660000000 ]    mass: 118.710000  - symbol: Sn # 54    coordinates: [  0.381887660000000,  0.368112340000000,  0.875000000000000 ]    mass: 118.710000  - symbol: Sn # 55    coordinates: [  0.618112340000000,  0.868112340000000,  0.625000000000000 ]    mass: 118.710000  - symbol: Sn # 56    coordinates: [  0.625000000000000,  0.618112340000000,  0.868112340000000 ]    mass: 118.710000  - symbol: Sn # 57    coordinates: [  0.631887660000000,  0.375000000000000,  0.118112340000000 ]    mass: 118.710000  - symbol: Sn # 58    coordinates: [  0.868112340000000,  0.625000000000000,  0.618112340000000 ]    mass: 118.710000  - symbol: Sn # 59    coordinates: [  0.875000000000000,  0.381887660000000,  0.368112340000000 ]    mass: 118.710000  - symbol: Sn # 60    coordinates: [  0.881887660000000,  0.131887660000000,  0.125000000000000 ]    mass: 118.710000  reciprocal_lattice: # without 2pi  - [     0.108178310568939,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.108178310568939,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.108178310568939 ] # c*unit_cell:  lattice:  - [     9.243997200000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.243997200000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.243997200000001 ] # c  points:  - symbol: Na # 1    coordinates: [  0.107208770000000,  0.875000000000000,  0.642791230000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.125000000000000,  0.142791230000000,  0.392791230000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 4    coordinates: [  0.142791230000000,  0.392791230000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 5    coordinates: [  0.357208770000000,  0.607208770000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 6    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 7    coordinates: [  0.375000000000000,  0.857208770000000,  0.892791230000000 ]    mass: 22.989769    reduced_to: 7  - symbol: Na # 8    coordinates: [  0.392791230000000,  0.125000000000000,  0.142791230000000 ]    mass: 22.989769    reduced_to: 8  - symbol: Na # 9    coordinates: [  0.607208770000000,  0.625000000000000,  0.357208770000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 10    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 10  - symbol: Na # 11    coordinates: [  0.625000000000000,  0.357208770000000,  0.607208770000000 ]    mass: 22.989769    reduced_to: 11  - symbol: Na # 12    coordinates: [  0.642791230000000,  0.107208770000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 12  - symbol: Na # 13    coordinates: [  0.857208770000000,  0.892791230000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 13  - symbol: Na # 14    coordinates: [  0.875000000000000,  0.642791230000000,  0.107208770000000 ]    mass: 22.989769    reduced_to: 14  - symbol: Na # 15    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 15  - symbol: Na # 16    coordinates: [  0.892791230000000,  0.375000000000000,  0.857208770000000 ]    mass: 22.989769    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.091660050000000,  0.634070390000000,  0.596334520000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.096334520000000,  0.408339950000000,  0.365929610000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.115929610000000,  0.658339950000000,  0.153665480000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.119505210000000,  0.119505210000000,  0.119505210000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.130494790000000,  0.869505210000000,  0.369505210000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.134070390000000,  0.903665480000000,  0.908339950000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.153665480000000,  0.115929610000000,  0.658339950000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.158339950000000,  0.346334520000000,  0.884070390000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.341660050000000,  0.653665480000000,  0.384070390000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.346334520000000,  0.884070390000000,  0.158339950000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.365929610000000,  0.096334520000000,  0.408339950000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.369505210000000,  0.130494790000000,  0.869505210000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.380494790000000,  0.880494790000000,  0.619505210000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.384070390000000,  0.341660050000000,  0.653665480000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.403665480000000,  0.591660050000000,  0.865929610000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.408339950000000,  0.365929610000000,  0.096334520000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.591660050000000,  0.865929610000000,  0.403665480000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.596334520000000,  0.091660050000000,  0.634070390000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.615929610000000,  0.841660050000000,  0.846334520000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.619505210000000,  0.380494790000000,  0.880494790000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.630494790000000,  0.630494790000000,  0.630494790000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.634070390000000,  0.596334520000000,  0.091660050000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.653665480000000,  0.384070390000000,  0.341660050000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.658339950000000,  0.153665480000000,  0.115929610000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.841660050000000,  0.846334520000000,  0.615929610000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.846334520000000,  0.615929610000000,  0.841660050000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.865929610000000,  0.403665480000000,  0.591660050000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.869505210000000,  0.369505210000000,  0.130494790000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.880494790000000,  0.619505210000000,  0.380494790000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.884070390000000,  0.158339950000000,  0.346334520000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.903665480000000,  0.908339950000000,  0.134070390000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.908339950000000,  0.134070390000000,  0.903665480000000 ]    mass: 15.999400    reduced_to: 48  - symbol: Sn # 49    coordinates: [  0.118112340000000,  0.631887660000000,  0.375000000000000 ]    mass: 118.710000    reduced_to: 49  - symbol: Sn # 50    coordinates: [  0.125000000000000,  0.881887660000000,  0.131887660000000 ]    mass: 118.710000    reduced_to: 50  - symbol: Sn # 51    coordinates: [  0.131887660000000,  0.125000000000000,  0.881887660000000 ]    mass: 118.710000    reduced_to: 51  - symbol: Sn # 52    coordinates: [  0.368112340000000,  0.875000000000000,  0.381887660000000 ]    mass: 118.710000    reduced_to: 52  - symbol: Sn # 53    coordinates: [  0.375000000000000,  0.118112340000000,  0.631887660000000 ]    mass: 118.710000    reduced_to: 53  - symbol: Sn # 54    coordinates: [  0.381887660000000,  0.368112340000000,  0.875000000000000 ]    mass: 118.710000    reduced_to: 54  - symbol: Sn # 55    coordinates: [  0.618112340000000,  0.868112340000000,  0.625000000000000 ]    mass: 118.710000    reduced_to: 55  - symbol: Sn # 56    coordinates: [  0.625000000000000,  0.618112340000000,  0.868112340000000 ]    mass: 118.710000    reduced_to: 56  - symbol: Sn # 57    coordinates: [  0.631887660000000,  0.375000000000000,  0.118112340000000 ]    mass: 118.710000    reduced_to: 57  - symbol: Sn # 58    coordinates: [  0.868112340000000,  0.625000000000000,  0.618112340000000 ]    mass: 118.710000    reduced_to: 58  - symbol: Sn # 59    coordinates: [  0.875000000000000,  0.381887660000000,  0.368112340000000 ]    mass: 118.710000    reduced_to: 59  - symbol: Sn # 60    coordinates: [  0.881887660000000,  0.131887660000000,  0.125000000000000 ]    mass: 118.710000    reduced_to: 60supercell:  lattice:  - [     9.243997200000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.243997200000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.243997200000001 ] # c  points:  - symbol: Na # 1    coordinates: [  0.107208770000000,  0.875000000000000,  0.642791230000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.125000000000000,  0.142791230000000,  0.392791230000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 4    coordinates: [  0.142791230000000,  0.392791230000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Na # 5    coordinates: [  0.357208770000000,  0.607208770000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 6    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 7    coordinates: [  0.375000000000000,  0.857208770000000,  0.892791230000000 ]    mass: 22.989769    reduced_to: 7  - symbol: Na # 8    coordinates: [  0.392791230000000,  0.125000000000000,  0.142791230000000 ]    mass: 22.989769    reduced_to: 8  - symbol: Na # 9    coordinates: [  0.607208770000000,  0.625000000000000,  0.357208770000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 10    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 10  - symbol: Na # 11    coordinates: [  0.625000000000000,  0.357208770000000,  0.607208770000000 ]    mass: 22.989769    reduced_to: 11  - symbol: Na # 12    coordinates: [  0.642791230000000,  0.107208770000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 12  - symbol: Na # 13    coordinates: [  0.857208770000000,  0.892791230000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 13  - symbol: Na # 14    coordinates: [  0.875000000000000,  0.642791230000000,  0.107208770000000 ]    mass: 22.989769    reduced_to: 14  - symbol: Na # 15    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 15  - symbol: Na # 16    coordinates: [  0.892791230000000,  0.375000000000000,  0.857208770000000 ]    mass: 22.989769    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.091660050000000,  0.634070390000000,  0.596334520000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.096334520000000,  0.408339950000000,  0.365929610000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.115929610000000,  0.658339950000000,  0.153665480000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.119505210000000,  0.119505210000000,  0.119505210000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.130494790000000,  0.869505210000000,  0.369505210000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.134070390000000,  0.903665480000000,  0.908339950000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.153665480000000,  0.115929610000000,  0.658339950000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.158339950000000,  0.346334520000000,  0.884070390000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.341660050000000,  0.653665480000000,  0.384070390000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.346334520000000,  0.884070390000000,  0.158339950000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.365929610000000,  0.096334520000000,  0.408339950000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.369505210000000,  0.130494790000000,  0.869505210000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.380494790000000,  0.880494790000000,  0.619505210000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.384070390000000,  0.341660050000000,  0.653665480000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.403665480000000,  0.591660050000000,  0.865929610000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.408339950000000,  0.365929610000000,  0.096334520000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.591660050000000,  0.865929610000000,  0.403665480000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.596334520000000,  0.091660050000000,  0.634070390000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.615929610000000,  0.841660050000000,  0.846334520000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.619505210000000,  0.380494790000000,  0.880494790000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.630494790000000,  0.630494790000000,  0.630494790000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.634070390000000,  0.596334520000000,  0.091660050000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.653665480000000,  0.384070390000000,  0.341660050000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.658339950000000,  0.153665480000000,  0.115929610000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.841660050000000,  0.846334520000000,  0.615929610000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.846334520000000,  0.615929610000000,  0.841660050000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.865929610000000,  0.403665480000000,  0.591660050000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.869505210000000,  0.369505210000000,  0.130494790000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.880494790000000,  0.619505210000000,  0.380494790000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.884070390000000,  0.158339950000000,  0.346334520000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.903665480000000,  0.908339950000000,  0.134070390000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.908339950000000,  0.134070390000000,  0.903665480000000 ]    mass: 15.999400    reduced_to: 48  - symbol: Sn # 49    coordinates: [  0.118112340000000,  0.631887660000000,  0.375000000000000 ]    mass: 118.710000    reduced_to: 49  - symbol: Sn # 50    coordinates: [  0.125000000000000,  0.881887660000000,  0.131887660000000 ]    mass: 118.710000    reduced_to: 50  - symbol: Sn # 51    coordinates: [  0.131887660000000,  0.125000000000000,  0.881887660000000 ]    mass: 118.710000    reduced_to: 51  - symbol: Sn # 52    coordinates: [  0.368112340000000,  0.875000000000000,  0.381887660000000 ]    mass: 118.710000    reduced_to: 52  - symbol: Sn # 53    coordinates: [  0.375000000000000,  0.118112340000000,  0.631887660000000 ]    mass: 118.710000    reduced_to: 53  - symbol: Sn # 54    coordinates: [  0.381887660000000,  0.368112340000000,  0.875000000000000 ]    mass: 118.710000    reduced_to: 54  - symbol: Sn # 55    coordinates: [  0.618112340000000,  0.868112340000000,  0.625000000000000 ]    mass: 118.710000    reduced_to: 55  - symbol: Sn # 56    coordinates: [  0.625000000000000,  0.618112340000000,  0.868112340000000 ]    mass: 118.710000    reduced_to: 56  - symbol: Sn # 57    coordinates: [  0.631887660000000,  0.375000000000000,  0.118112340000000 ]    mass: 118.710000    reduced_to: 57  - symbol: Sn # 58    coordinates: [  0.868112340000000,  0.625000000000000,  0.618112340000000 ]    mass: 118.710000    reduced_to: 58  - symbol: Sn # 59    coordinates: [  0.875000000000000,  0.381887660000000,  0.368112340000000 ]    mass: 118.710000    reduced_to: 59  - symbol: Sn # 60    coordinates: [  0.881887660000000,  0.131887660000000,  0.125000000000000 ]    mass: 118.710000    reduced_to: 60displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0249231800000000, -0.0136590500000000,  0.0024362300000000 ]  - [  -0.0011456600000000,  0.0000682100000000, -0.0000306200000000 ]  - [  -0.0003134100000000,  0.0001982300000000, -0.0000917400000000 ]  - [  -0.0001808900000000,  0.0000058100000000,  0.0000425200000000 ]  - [   0.0014942100000000, -0.0027623600000000, -0.0003386400000000 ]  - [   0.0000939000000000, -0.0000696700000000, -0.0000296300000000 ]  - [   0.0020649500000000, -0.0000738400000000,  0.0027646500000000 ]  - [   0.0000877400000000,  0.0000568400000000, -0.0001102800000000 ]  - [   0.0004576500000000, -0.0000495200000000,  0.0001090400000000 ]  - [   0.0005535000000000,  0.0000292500000000, -0.0000293300000000 ]  - [   0.0002810000000000,  0.0002104800000000, -0.0000060100000000 ]  - [   0.0005292600000000, -0.0001489600000000, -0.0000338400000000 ]  - [   0.0014898400000000, -0.0000348700000000,  0.0028861100000000 ]  - [  -0.0000706400000000, -0.0000121900000000, -0.0001503700000000 ]  - [   0.0029294200000000, -0.0000479700000000, -0.0049372100000000 ]  - [  -0.0001067000000000,  0.0001446100000000, -0.0000572500000000 ]  - [   0.0032339700000000,  0.0004691800000000, -0.0004376900000000 ]  - [   0.0006168000000000, -0.0001196900000000, -0.0001180100000000 ]  - [   0.0004194700000000,  0.0003688300000000,  0.0000039900000000 ]  - [   0.0006029600000000, -0.0003586500000000, -0.0001019400000000 ]  - [   0.0029321700000000,  0.0002849500000000,  0.0004605900000000 ]  - [   0.0028352600000000,  0.0000572500000000, -0.0002574700000000 ]  - [   0.0033418500000000,  0.0027831400000000, -0.0002634400000000 ]  - [   0.0004359200000000, -0.0002570700000000, -0.0002185300000000 ]  - [   0.0003738400000000,  0.0008408600000000,  0.0009608500000000 ]  - [   0.0002043200000000,  0.0000388300000000,  0.0001205900000000 ]  - [  -0.0004150000000000, -0.0009872100000000,  0.0012504000000000 ]  - [  -0.0001070700000000, -0.0009991600000000, -0.0005295000000000 ]  - [  -0.0021624400000000, -0.0012703700000000,  0.0014972100000000 ]  - [  -0.0001149200000000, -0.0002591200000000, -0.0000952600000000 ]  - [  -0.0009370100000000,  0.0005456900000000, -0.0002960500000000 ]  - [  -0.0002833200000000, -0.0000565300000000, -0.0001381800000000 ]  - [  -0.0032227200000000,  0.0003383500000000,  0.0002302300000000 ]  - [  -0.0027529400000000, -0.0004652300000000, -0.0001626400000000 ]  - [  -0.0022016600000000,  0.0001879800000000,  0.0002753400000000 ]  - [  -0.0007438500000000, -0.0002731700000000,  0.0000361400000000 ]  - [  -0.0027655800000000, -0.0008286900000000,  0.0003265200000000 ]  - [  -0.0004608000000000, -0.0000416600000000,  0.0000903200000000 ]  - [  -0.0005228200000000, -0.0001296200000000, -0.0001463100000000 ]  - [  -0.0004017400000000, -0.0000557500000000,  0.0000134100000000 ]  - [  -0.0009436300000000, -0.0015821900000000, -0.0004027600000000 ]  - [  -0.0010891200000000, -0.0012563900000000,  0.0010032500000000 ]  - [   0.0001517000000000, -0.0001926700000000, -0.0001381900000000 ]  - [  -0.0001053200000000,  0.0000417600000000, -0.0000560700000000 ]  - [   0.0005372900000000, -0.0011107700000000, -0.0009761300000000 ]  - [  -0.0000578300000000,  0.0004967000000000, -0.0006574600000000 ]  - [   0.0007307200000000, -0.0000853400000000,  0.0000075600000000 ]  - [   0.0006648600000000,  0.0006075600000000,  0.0009408200000000 ]  - [  -0.0031491800000000, -0.0008575400000000,  0.0006294200000000 ]  - [  -0.0005562200000000,  0.0000381100000000, -0.0000433500000000 ]  - [  -0.0036033100000000,  0.0006775200000000,  0.0012641500000000 ]  - [   0.0035525300000000, -0.0005749900000000, -0.0083762400000000 ]  - [   0.0047784000000000,  0.0089060900000000,  0.0003848400000000 ]  - [   0.0003140400000000,  0.0003974800000000,  0.0002403800000000 ]  - [   0.0107331900000000, -0.0014915400000000,  0.0003783300000000 ]  - [   0.0022134500000000,  0.0003126000000000, -0.0007067300000000 ]  - [   0.0006755000000000,  0.0001058500000000,  0.0001526900000000 ]  - [   0.0041653000000000,  0.0112997700000000,  0.0012950100000000 ]  - [  -0.0000018800000000,  0.0003359900000000,  0.0001929500000000 ]  - [  -0.0001561800000000,  0.0002638500000000, -0.0000566400000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0250254200000000,  0.0137083400000000, -0.0023404400000000 ]  - [   0.0011437300000000, -0.0000652000000000,  0.0000529700000000 ]  - [   0.0003125900000000, -0.0001978300000000,  0.0000914100000000 ]  - [   0.0001941600000000,  0.0000070300000000, -0.0000419900000000 ]  - [  -0.0015034700000000,  0.0027229000000000,  0.0003356200000000 ]  - [  -0.0000972200000000,  0.0000712800000000,  0.0000301400000000 ]  - [  -0.0020562700000000,  0.0000597700000000, -0.0027207500000000 ]  - [  -0.0000758900000000, -0.0000590600000000,  0.0001228900000000 ]  - [  -0.0004719200000000,  0.0000485700000000, -0.0001240000000000 ]  - [  -0.0005538500000000, -0.0000284600000000,  0.0000271100000000 ]  - [  -0.0002799200000000, -0.0002242500000000, -0.0000075500000000 ]  - [  -0.0005173900000000,  0.0001383700000000,  0.0000368400000000 ]  - [  -0.0015082100000000,  0.0000484900000000, -0.0029106000000000 ]  - [   0.0000743700000000,  0.0000262700000000,  0.0001374100000000 ]  - [  -0.0029378800000000,  0.0000461100000000,  0.0049868100000000 ]  - [   0.0001218200000000, -0.0001446200000000,  0.0000428100000000 ]  - [  -0.0033119000000000, -0.0004145700000000,  0.0005056400000000 ]  - [  -0.0005692700000000,  0.0001991300000000,  0.0001479300000000 ]  - [  -0.0003871800000000, -0.0002954100000000, -0.0000548900000000 ]  - [  -0.0006260500000000,  0.0003486500000000,  0.0000857400000000 ]  - [  -0.0029070000000000, -0.0003074100000000, -0.0004915400000000 ]  - [  -0.0028655300000000, -0.0001046700000000,  0.0003488800000000 ]  - [  -0.0034195400000000, -0.0027874300000000,  0.0003398500000000 ]  - [  -0.0003520700000000,  0.0003118000000000,  0.0001887300000000 ]  - [  -0.0004455900000000, -0.0008874700000000, -0.0009827400000000 ]  - [  -0.0001401400000000, -0.0000704100000000, -0.0000350700000000 ]  - [   0.0004527200000000,  0.0010342700000000, -0.0011627700000000 ]  - [   0.0001001300000000,  0.0010138200000000,  0.0005085700000000 ]  - [   0.0025175200000000,  0.0012837500000000, -0.0015303300000000 ]  - [   0.0000884700000000,  0.0001816900000000,  0.0000418900000000 ]  - [   0.0008884900000000, -0.0006211900000000,  0.0003247700000000 ]  - [   0.0003664800000000,  0.0000898900000000,  0.0001892000000000 ]  - [   0.0031398600000000, -0.0003041400000000, -0.0002804000000000 ]  - [   0.0028052800000000,  0.0003840500000000,  0.0001298400000000 ]  - [   0.0022354400000000, -0.0002676500000000, -0.0002306000000000 ]  - [   0.0007262000000000,  0.0002934400000000, -0.0000189200000000 ]  - [   0.0027886300000000,  0.0008487000000000, -0.0003056100000000 ]  - [   0.0004274400000000,  0.0000915100000000, -0.0001732400000000 ]  - [   0.0004700800000000,  0.0000971700000000,  0.0000660000000000 ]  - [   0.0004797300000000,  0.0000071900000000,  0.0000181500000000 ]  - [   0.0004260300000000,  0.0016053000000000,  0.0003966300000000 ]  - [   0.0011375300000000,  0.0012986600000000, -0.0010894800000000 ]  - [  -0.0001255700000000,  0.0001428100000000,  0.0000573700000000 ]  - [   0.0000819200000000, -0.0000614700000000,  0.0000756800000000 ]  - [  -0.0005279600000000,  0.0010974800000000,  0.0010000100000000 ]  - [   0.0000212000000000, -0.0004177200000000,  0.0007108900000000 ]  - [  -0.0007910600000000,  0.0001684200000000, -0.0000403300000000 ]  - [  -0.0005925300000000, -0.0006430500000000, -0.0009962100000000 ]  - [   0.0031819900000000,  0.0008511100000000, -0.0006042000000000 ]  - [   0.0005604300000000, -0.0000760700000000,  0.0000014300000000 ]  - [   0.0035594200000000, -0.0007227900000000, -0.0013367200000000 ]  - [  -0.0035068600000000,  0.0005693200000000,  0.0082540200000000 ]  - [  -0.0047582300000000, -0.0087781800000000, -0.0004173900000000 ]  - [  -0.0003594600000000, -0.0003646600000000, -0.0002418700000000 ]  - [  -0.0107051500000000,  0.0015230600000000, -0.0003830300000000 ]  - [  -0.0022167800000000, -0.0002789400000000,  0.0007494800000000 ]  - [  -0.0007092100000000, -0.0001076500000000, -0.0001131600000000 ]  - [  -0.0041443100000000, -0.0114106400000000, -0.0012717300000000 ]  - [   0.0000092700000000, -0.0003733700000000, -0.0001548800000000 ]  - [   0.0001270900000000, -0.0003040600000000,  0.0000557800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0137972400000000, -0.0644883100000000, -0.0135759400000000 ]  - [   0.0002526500000000,  0.0020763900000000, -0.0029054000000000 ]  - [  -0.0002065600000000,  0.0020462400000000, -0.0002080500000000 ]  - [  -0.0000353100000000,  0.0002876100000000,  0.0002220600000000 ]  - [  -0.0028914400000000,  0.0020463600000000,  0.0002470400000000 ]  - [   0.0000106800000000,  0.0000198800000000,  0.0001144100000000 ]  - [  -0.0002548100000000, -0.0011483100000000, -0.0003339100000000 ]  - [   0.0000648800000000,  0.0000071800000000,  0.0000557900000000 ]  - [   0.0000421900000000,  0.0000089500000000,  0.0000520600000000 ]  - [   0.0001135800000000,  0.0000182200000000,  0.0000115100000000 ]  - [   0.0002218700000000,  0.0002745800000000, -0.0000486300000000 ]  - [  -0.0000288500000000, -0.0000784300000000, -0.0000204000000000 ]  - [  -0.0003400300000000, -0.0011387200000000, -0.0002462800000000 ]  - [  -0.0000193200000000, -0.0000641400000000, -0.0000416800000000 ]  - [  -0.0000664100000000, -0.0021207800000000, -0.0000859400000000 ]  - [  -0.0001383000000000,  0.0007894200000000, -0.0001512700000000 ]  - [  -0.0000354700000000,  0.0184479000000000,  0.0017889200000000 ]  - [  -0.0001405100000000, -0.0019632700000000, -0.0007629400000000 ]  - [   0.0000974400000000,  0.0007458900000000, -0.0003894800000000 ]  - [  -0.0001060600000000,  0.0002769400000000, -0.0003558100000000 ]  - [   0.0002828200000000,  0.0036670500000000, -0.0007983400000000 ]  - [   0.0000113500000000,  0.0034288400000000, -0.0015924000000000 ]  - [   0.0020273500000000,  0.0197082600000000,  0.0001450900000000 ]  - [  -0.0002334300000000, -0.0019949000000000, -0.0006464000000000 ]  - [   0.0011789700000000,  0.0006601200000000, -0.0012454700000000 ]  - [  -0.0000810800000000,  0.0004738800000000, -0.0004454100000000 ]  - [  -0.0012206800000000,  0.0007191800000000,  0.0012617300000000 ]  - [  -0.0015738600000000, -0.0007374400000000, -0.0015348400000000 ]  - [  -0.0007875900000000,  0.0036894100000000,  0.0002615600000000 ]  - [  -0.0007878900000000, -0.0020398100000000, -0.0001901600000000 ]  - [   0.0005397200000000, -0.0008803800000000,  0.0003870300000000 ]  - [  -0.0002300500000000, -0.0004961000000000, -0.0001920800000000 ]  - [  -0.0005247600000000,  0.0005062800000000, -0.0001399500000000 ]  - [  -0.0003335900000000,  0.0006723900000000,  0.0000647600000000 ]  - [  -0.0003458600000000,  0.0005195500000000,  0.0001131900000000 ]  - [  -0.0003623600000000, -0.0008736200000000,  0.0000751100000000 ]  - [  -0.0003380300000000,  0.0002877200000000, -0.0000842800000000 ]  - [  -0.0001606800000000, -0.0002751600000000,  0.0001963200000000 ]  - [  -0.0002452600000000, -0.0005290600000000, -0.0003118700000000 ]  - [   0.0002764200000000, -0.0003252300000000, -0.0001288700000000 ]  - [  -0.0016595500000000,  0.0034775900000000,  0.0000436100000000 ]  - [  -0.0018439700000000, -0.0004040800000000,  0.0007810000000000 ]  - [  -0.0006193300000000, -0.0020468600000000, -0.0003122200000000 ]  - [   0.0000538300000000, -0.0008940100000000, -0.0003463200000000 ]  - [  -0.0015106600000000, -0.0007563200000000, -0.0015509600000000 ]  - [   0.0003568000000000, -0.0007995500000000,  0.0005957200000000 ]  - [   0.0000577400000000,  0.0006042300000000, -0.0003785900000000 ]  - [   0.0008606300000000, -0.0004345100000000, -0.0019065100000000 ]  - [  -0.0007322400000000,  0.0030993600000000,  0.0094306400000000 ]  - [   0.0000436600000000, -0.0007669500000000,  0.0014646400000000 ]  - [   0.0009206000000000,  0.0062356600000000,  0.0113805700000000 ]  - [  -0.0001684100000000, -0.0037549100000000, -0.0001855800000000 ]  - [   0.0094755500000000,  0.0031664400000000, -0.0007657200000000 ]  - [   0.0008805000000000,  0.0022565400000000,  0.0004700900000000 ]  - [   0.0015019100000000, -0.0007331400000000,  0.0000432900000000 ]  - [   0.0009341800000000,  0.0001116600000000, -0.0002475300000000 ]  - [   0.0000932100000000,  0.0009431200000000,  0.0001307000000000 ]  - [   0.0113264700000000,  0.0061812700000000,  0.0009347400000000 ]  - [   0.0004748200000000,  0.0022232000000000,  0.0009197800000000 ]  - [  -0.0002802500000000,  0.0000666600000000,  0.0009378700000000 ]- atom:    3  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003199800000000, -0.0002081000000000, -0.0000844900000000 ]  - [  -0.0021225500000000,  0.0000635700000000, -0.0000305000000000 ]  - [  -0.0370086400000000,  0.0073250800000000, -0.0073887800000000 ]  - [  -0.0003062900000000,  0.0000981500000000,  0.0002069500000000 ]  - [   0.0029330700000000,  0.0049796300000000, -0.0000755700000000 ]  - [  -0.0000343800000000,  0.0000063600000000,  0.0001602500000000 ]  - [   0.0000161400000000, -0.0000343500000000,  0.0000778400000000 ]  - [   0.0001014300000000,  0.0000106100000000,  0.0000344500000000 ]  - [   0.0005472900000000, -0.0001135000000000,  0.0000234100000000 ]  - [   0.0006434300000000,  0.0001592800000000, -0.0001601800000000 ]  - [   0.0020449900000000,  0.0001914400000000, -0.0002041400000000 ]  - [   0.0005589200000000, -0.0000360600000000,  0.0001143600000000 ]  - [   0.0000888200000000, -0.0000220300000000, -0.0000110700000000 ]  - [   0.0000191100000000, -0.0000638700000000,  0.0000229600000000 ]  - [  -0.0000317400000000, -0.0001594200000000, -0.0000060400000000 ]  - [   0.0029331500000000,  0.0000773200000000, -0.0049445800000000 ]  - [   0.0038916500000000,  0.0004290400000000, -0.0003785400000000 ]  - [   0.0037476000000000,  0.0005035300000000, -0.0005605700000000 ]  - [   0.0005179100000000,  0.0004269500000000, -0.0003540600000000 ]  - [   0.0008351000000000,  0.0000638400000000, -0.0004668700000000 ]  - [   0.0008616600000000,  0.0004463200000000, -0.0000914900000000 ]  - [   0.0004847100000000,  0.0003022400000000, -0.0003356500000000 ]  - [   0.0037081200000000,  0.0006132000000000, -0.0004170000000000 ]  - [   0.0039871200000000,  0.0004270500000000, -0.0004769800000000 ]  - [   0.0005450800000000, -0.0008001700000000,  0.0005166800000000 ]  - [   0.0003358300000000,  0.0001054700000000,  0.0002356900000000 ]  - [  -0.0001819100000000,  0.0016955900000000,  0.0009032900000000 ]  - [   0.0005302600000000,  0.0014825400000000, -0.0014299500000000 ]  - [  -0.0001339400000000,  0.0002831600000000, -0.0000442400000000 ]  - [   0.0050126200000000,  0.0013424600000000, -0.0014475200000000 ]  - [  -0.0014216000000000, -0.0012158600000000, -0.0010838100000000 ]  - [  -0.0003749700000000, -0.0000326900000000, -0.0004416800000000 ]  - [  -0.0006884700000000,  0.0003384200000000, -0.0000403400000000 ]  - [  -0.0016940900000000,  0.0011302800000000,  0.0001128100000000 ]  - [  -0.0005891200000000,  0.0003191700000000,  0.0000417900000000 ]  - [  -0.0021567000000000, -0.0004060300000000, -0.0007320100000000 ]  - [  -0.0021366200000000,  0.0007542200000000,  0.0004264700000000 ]  - [  -0.0006227400000000,  0.0000040500000000, -0.0004067300000000 ]  - [  -0.0017456500000000, -0.0001473300000000, -0.0012156100000000 ]  - [  -0.0006043200000000, -0.0000109300000000, -0.0003046000000000 ]  - [  -0.0004688200000000,  0.0004947900000000,  0.0000660600000000 ]  - [  -0.0013739000000000,  0.0011086300000000,  0.0011245300000000 ]  - [   0.0044469500000000,  0.0014812500000000, -0.0015194300000000 ]  - [  -0.0001644800000000,  0.0000171000000000, -0.0002615000000000 ]  - [   0.0005400000000000,  0.0014048700000000, -0.0014540900000000 ]  - [  -0.0002193600000000, -0.0008187000000000, -0.0016367900000000 ]  - [   0.0002815800000000, -0.0001459800000000, -0.0001381200000000 ]  - [   0.0006237200000000, -0.0005450400000000,  0.0007467900000000 ]  - [  -0.0036266100000000, -0.0008347700000000,  0.0005082700000000 ]  - [  -0.0009202300000000, -0.0002801000000000,  0.0002420200000000 ]  - [  -0.0036601800000000, -0.0004759600000000,  0.0007637400000000 ]  - [  -0.0001665800000000, -0.0007649200000000, -0.0002395800000000 ]  - [   0.0041075900000000, -0.0102157800000000,  0.0000575900000000 ]  - [   0.0047446200000000,  0.0001793400000000,  0.0102682100000000 ]  - [   0.0010445100000000, -0.0012315500000000,  0.0000869100000000 ]  - [   0.0029830100000000,  0.0004578500000000, -0.0004172100000000 ]  - [   0.0010107600000000, -0.0000833500000000,  0.0012682600000000 ]  - [   0.0047564400000000, -0.0101966700000000, -0.0001526500000000 ]  - [   0.0040863400000000, -0.0000831200000000,  0.0101810300000000 ]  - [  -0.0001956800000000,  0.0002034500000000,  0.0007620000000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0032529200000000,  0.0000087300000000, -0.0002946800000000 ]  - [   0.0005600400000000, -0.0002196400000000, -0.0001162100000000 ]  - [   0.0039378700000000,  0.0014368600000000, -0.0004535700000000 ]  - [   0.0004042600000000,  0.0001061100000000,  0.0002684200000000 ]  - [  -0.0004678300000000,  0.0002712700000000, -0.0016077500000000 ]  - [  -0.0004197600000000,  0.0003806000000000,  0.0011706900000000 ]  - [  -0.0008399700000000, -0.0004664900000000, -0.0005773300000000 ]  - [  -0.0003138700000000, -0.0002708300000000,  0.0001135500000000 ]  - [  -0.0031885800000000,  0.0004858400000000, -0.0000845100000000 ]  - [  -0.0006452400000000, -0.0003634900000000, -0.0001891700000000 ]  - [  -0.0020003100000000, -0.0002282200000000,  0.0001513900000000 ]  - [  -0.0004331100000000,  0.0001234400000000,  0.0002350000000000 ]  - [   0.0003958600000000,  0.0012149700000000, -0.0012186000000000 ]  - [   0.0007040100000000,  0.0003399200000000, -0.0004371300000000 ]  - [   0.0005818600000000,  0.0008581900000000,  0.0011666000000000 ]  - [   0.0006328200000000, -0.0008179300000000,  0.0010360900000000 ]  - [  -0.1319649400000000, -0.0075585600000000,  0.0068102000000000 ]  - [  -0.0079043500000000, -0.0033994500000000, -0.0019956900000000 ]  - [  -0.0022204800000000, -0.0005028600000000, -0.0007437500000000 ]  - [  -0.0011038500000000,  0.0005613100000000, -0.0003038200000000 ]  - [  -0.0032546200000000,  0.0039951600000000, -0.0041090400000000 ]  - [  -0.0010196500000000,  0.0004013800000000,  0.0003093200000000 ]  - [  -0.0011413600000000,  0.0001822700000000,  0.0004693900000000 ]  - [  -0.0007434200000000, -0.0006899900000000,  0.0006662100000000 ]  - [   0.0109745200000000,  0.0048056900000000, -0.0105058500000000 ]  - [   0.0000421600000000,  0.0010765600000000, -0.0015553500000000 ]  - [   0.0006382800000000,  0.0005576000000000, -0.0001256700000000 ]  - [   0.0003323100000000, -0.0000012100000000,  0.0004228900000000 ]  - [   0.0044715900000000,  0.0039673100000000,  0.0009575400000000 ]  - [   0.0019775600000000, -0.0028457700000000,  0.0009765800000000 ]  - [   0.0032583000000000, -0.0003114300000000,  0.0016843600000000 ]  - [   0.0012242800000000, -0.0001849600000000,  0.0001533400000000 ]  - [   0.0043283300000000,  0.0005967100000000,  0.0015110100000000 ]  - [   0.0034784300000000, -0.0005011900000000,  0.0001402200000000 ]  - [   0.0022715300000000, -0.0005089400000000, -0.0007196800000000 ]  - [   0.0021143500000000,  0.0006759900000000, -0.0002140100000000 ]  - [   0.0067559100000000, -0.0002746100000000, -0.0001990300000000 ]  - [   0.0020186800000000,  0.0002713400000000, -0.0005009700000000 ]  - [   0.0023205600000000,  0.0008191500000000,  0.0015565800000000 ]  - [   0.0003977600000000,  0.0003550600000000,  0.0001746700000000 ]  - [   0.0108933000000000, -0.0077961900000000, -0.0004673600000000 ]  - [   0.0054225900000000,  0.0002965700000000, -0.0050554600000000 ]  - [   0.0054170700000000,  0.0099631900000000,  0.0034204200000000 ]  - [  -0.0007877200000000,  0.0011317700000000,  0.0001695900000000 ]  - [   0.0058260300000000,  0.0036938400000000,  0.0160082500000000 ]  - [  -0.0009992400000000,  0.0005110800000000,  0.0012225700000000 ]  - [  -0.0014244600000000, -0.0001187700000000, -0.0002165100000000 ]  - [  -0.0009798100000000,  0.0001071100000000, -0.0004167800000000 ]  - [   0.0227708100000000,  0.0009965100000000,  0.0020522100000000 ]  - [   0.0022054100000000, -0.0001673200000000,  0.0025289400000000 ]  - [   0.0014132900000000, -0.0000296200000000, -0.0001813200000000 ]  - [  -0.0038314300000000, -0.0081998900000000,  0.0016989200000000 ]  - [  -0.0012399200000000, -0.0006492100000000, -0.0004525700000000 ]  - [  -0.0019850000000000,  0.0011584000000000, -0.0023362700000000 ]  - [  -0.0108967300000000,  0.0013309300000000, -0.0013925600000000 ]  - [  -0.0074478100000000, -0.0007146200000000,  0.0011332800000000 ]  - [  -0.0015120100000000, -0.0008776900000000, -0.0010428100000000 ]  - [   0.0724985800000000,  0.0021690400000000, -0.0036267100000000 ]  - [   0.0042463100000000, -0.0062721900000000, -0.0067675700000000 ]  - [   0.0009978700000000, -0.0008788200000000, -0.0003005100000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0032888500000000, -0.0000993500000000,  0.0003045100000000 ]  - [  -0.0005608900000000,  0.0002317500000000,  0.0001342800000000 ]  - [  -0.0039404300000000, -0.0014272000000000,  0.0004655500000000 ]  - [  -0.0003886200000000, -0.0000923700000000, -0.0002795700000000 ]  - [   0.0009060900000000, -0.0003313900000000,  0.0016432200000000 ]  - [   0.0004245700000000, -0.0003816200000000, -0.0011755600000000 ]  - [   0.0008425600000000,  0.0004508900000000,  0.0005863200000000 ]  - [   0.0003309600000000,  0.0002715200000000, -0.0001020100000000 ]  - [   0.0031734800000000, -0.0004860400000000,  0.0000727600000000 ]  - [   0.0006459600000000,  0.0003631800000000,  0.0001930100000000 ]  - [   0.0020045900000000,  0.0002168000000000, -0.0001632000000000 ]  - [   0.0004465400000000, -0.0001376600000000, -0.0002388100000000 ]  - [  -0.0004221400000000, -0.0011991200000000,  0.0012251700000000 ]  - [  -0.0007093000000000, -0.0003274300000000,  0.0004151700000000 ]  - [  -0.0005883200000000, -0.0008649100000000, -0.0011746100000000 ]  - [  -0.0006253500000000,  0.0008239700000000, -0.0010536900000000 ]  - [   0.1371620800000000,  0.0078857200000000, -0.0075425100000000 ]  - [   0.0079838100000000,  0.0035704700000000,  0.0020997700000000 ]  - [   0.0022570600000000,  0.0005892300000000,  0.0007069700000000 ]  - [   0.0010884300000000, -0.0005868200000000,  0.0002961500000000 ]  - [   0.0032343700000000, -0.0040858900000000,  0.0041602200000000 ]  - [   0.0009863800000000, -0.0004556800000000, -0.0002241100000000 ]  - [   0.0010857700000000, -0.0001524400000000, -0.0003931300000000 ]  - [   0.0008239500000000,  0.0007398600000000, -0.0006996500000000 ]  - [  -0.0109956200000000, -0.0048391800000000,  0.0103675200000000 ]  - [  -0.0000104500000000, -0.0011051500000000,  0.0016438700000000 ]  - [  -0.0006181800000000, -0.0005081000000000,  0.0001933000000000 ]  - [  -0.0003610500000000,  0.0000198000000000, -0.0004367300000000 ]  - [  -0.0044512300000000, -0.0039237500000000, -0.0009862500000000 ]  - [  -0.0020128300000000,  0.0027466100000000, -0.0010265700000000 ]  - [  -0.0033108800000000,  0.0002216100000000, -0.0016389700000000 ]  - [  -0.0011479500000000,  0.0002158200000000, -0.0000935500000000 ]  - [  -0.0044207500000000, -0.0005624300000000, -0.0015783600000000 ]  - [  -0.0034382100000000,  0.0004319700000000, -0.0001755300000000 ]  - [  -0.0022479800000000,  0.0004287700000000,  0.0007761800000000 ]  - [  -0.0021404300000000, -0.0006649300000000,  0.0002419200000000 ]  - [  -0.0067183600000000,  0.0002903600000000,  0.0002082800000000 ]  - [  -0.0020598100000000, -0.0002260400000000,  0.0004313700000000 ]  - [  -0.0023761400000000, -0.0008525100000000, -0.0016432600000000 ]  - [  -0.0003171600000000, -0.0004106000000000, -0.0001398500000000 ]  - [  -0.0110788600000000,  0.0080123500000000,  0.0005013500000000 ]  - [  -0.0054380500000000, -0.0002710500000000,  0.0050714300000000 ]  - [  -0.0054200900000000, -0.0101852600000000, -0.0035518900000000 ]  - [   0.0007768300000000, -0.0011590700000000, -0.0001392800000000 ]  - [  -0.0058139400000000, -0.0037354100000000, -0.0162448600000000 ]  - [   0.0009790500000000, -0.0004269300000000, -0.0011764400000000 ]  - [   0.0013837300000000,  0.0001986900000000,  0.0001894700000000 ]  - [   0.0010682200000000, -0.0001409700000000,  0.0003727400000000 ]  - [  -0.0228041200000000, -0.0010370400000000, -0.0018409800000000 ]  - [  -0.0022134300000000,  0.0001285500000000, -0.0026143300000000 ]  - [  -0.0014506900000000,  0.0000368300000000,  0.0001369600000000 ]  - [   0.0039138100000000,  0.0081862000000000, -0.0017058800000000 ]  - [   0.0012575300000000,  0.0006875600000000,  0.0004272100000000 ]  - [   0.0019544600000000, -0.0011112200000000,  0.0023209900000000 ]  - [   0.0109729300000000, -0.0012947600000000,  0.0014034100000000 ]  - [   0.0074760000000000,  0.0007595300000000, -0.0011032400000000 ]  - [   0.0014781600000000,  0.0008929900000000,  0.0010752000000000 ]  - [  -0.0779279500000000, -0.0023958700000000,  0.0043614200000000 ]  - [  -0.0043170700000000,  0.0062268700000000,  0.0068252100000000 ]  - [  -0.0010421600000000,  0.0008502900000000,  0.0002918800000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0004777300000000,  0.0196777900000000,  0.0029294900000000 ]  - [   0.0003620000000000, -0.0022107600000000, -0.0000153400000000 ]  - [   0.0004889600000000,  0.0044426800000000,  0.0006178600000000 ]  - [   0.0002116700000000,  0.0001436900000000, -0.0006343300000000 ]  - [   0.0003882400000000,  0.0028441900000000, -0.0000268000000000 ]  - [  -0.0000500200000000,  0.0005015000000000,  0.0001279100000000 ]  - [  -0.0003735100000000, -0.0000468300000000, -0.0003036100000000 ]  - [  -0.0000659600000000, -0.0005141300000000,  0.0001200200000000 ]  - [  -0.0003325100000000,  0.0004884700000000,  0.0000476400000000 ]  - [  -0.0003214300000000, -0.0006057100000000,  0.0001218700000000 ]  - [  -0.0007768700000000, -0.0001099800000000,  0.0001270300000000 ]  - [   0.0000046700000000, -0.0004511500000000, -0.0001443300000000 ]  - [   0.0009684100000000, -0.0004242900000000,  0.0012364700000000 ]  - [   0.0000829200000000,  0.0004117000000000, -0.0001586600000000 ]  - [   0.0005335800000000, -0.0002004200000000, -0.0010984900000000 ]  - [  -0.0006152700000000, -0.0004201900000000,  0.0012674400000000 ]  - [  -0.0080033600000000, -0.0702207100000000, -0.0078251100000000 ]  - [   0.0017571300000000,  0.0054390300000000,  0.0101285200000000 ]  - [  -0.0003791100000000, -0.0022017500000000,  0.0001443700000000 ]  - [  -0.0004635600000000,  0.0019971800000000, -0.0002859000000000 ]  - [   0.0025154100000000,  0.0049196300000000, -0.0098209200000000 ]  - [   0.0001373500000000,  0.0011312100000000,  0.0017086600000000 ]  - [   0.0000155700000000,  0.0027956100000000,  0.0002080400000000 ]  - [  -0.0006390300000000,  0.0018616200000000, -0.0014468900000000 ]  - [   0.0004389600000000, -0.0034574200000000, -0.0005248400000000 ]  - [   0.0011593500000000, -0.0001940700000000, -0.0007948000000000 ]  - [   0.0002844400000000,  0.0016100300000000,  0.0002395000000000 ]  - [  -0.0000588200000000,  0.0012294900000000,  0.0001114300000000 ]  - [   0.0025678600000000,  0.0013371200000000,  0.0000665300000000 ]  - [  -0.0015368000000000,  0.0019528700000000, -0.0005261600000000 ]  - [  -0.0004849200000000, -0.0010435900000000, -0.0001361400000000 ]  - [  -0.0001566300000000,  0.0000451000000000,  0.0001161500000000 ]  - [  -0.0006187400000000, -0.0001655100000000, -0.0009796700000000 ]  - [  -0.0005066300000000,  0.0020012500000000,  0.0001351200000000 ]  - [  -0.0004059400000000, -0.0010329100000000,  0.0012179600000000 ]  - [   0.0001153000000000, -0.0001922000000000, -0.0002097300000000 ]  - [   0.0002591300000000, -0.0023026900000000,  0.0001657200000000 ]  - [   0.0001372200000000, -0.0006221300000000,  0.0001199200000000 ]  - [   0.0007043600000000, -0.0001871400000000,  0.0010505900000000 ]  - [   0.0001970000000000,  0.0006453300000000,  0.0001715300000000 ]  - [  -0.0105114600000000,  0.0027452800000000,  0.0005265900000000 ]  - [   0.0005591200000000, -0.0020127900000000, -0.0003243500000000 ]  - [   0.0101267500000000,  0.0051076200000000,  0.0019999800000000 ]  - [   0.0008786200000000,  0.0002819600000000,  0.0009352600000000 ]  - [   0.0008855000000000, -0.0071265700000000,  0.0007263000000000 ]  - [   0.0004051900000000,  0.0023010900000000,  0.0009655000000000 ]  - [  -0.0009772700000000,  0.0006675800000000, -0.0002826100000000 ]  - [  -0.0000854200000000,  0.0008833100000000, -0.0000443700000000 ]  - [   0.0007710100000000,  0.0169215000000000,  0.0015031900000000 ]  - [   0.0010141200000000,  0.0003431500000000,  0.0033695800000000 ]  - [  -0.0001665600000000, -0.0031334400000000, -0.0000065400000000 ]  - [  -0.0035870900000000, -0.0001349100000000,  0.0008714800000000 ]  - [   0.0003962000000000, -0.0033019800000000, -0.0008691000000000 ]  - [   0.0012649900000000, -0.0003142100000000,  0.0010132700000000 ]  - [   0.0030966300000000,  0.0007986800000000, -0.0005051400000000 ]  - [  -0.0001580200000000,  0.0015171100000000, -0.0004664600000000 ]  - [  -0.0004374300000000,  0.0000042700000000, -0.0004508800000000 ]  - [   0.0032885000000000,  0.0179543700000000,  0.0004150800000000 ]  - [  -0.0052270400000000, -0.0005518700000000, -0.0056395900000000 ]  - [   0.0004455200000000, -0.0018220200000000, -0.0009852500000000 ]- atom:   17  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0004086500000000, -0.0184754900000000, -0.0026471600000000 ]  - [  -0.0003609700000000,  0.0022245400000000,  0.0000319100000000 ]  - [  -0.0004150600000000, -0.0050186900000000, -0.0005543300000000 ]  - [  -0.0001955600000000, -0.0001325400000000,  0.0006304200000000 ]  - [  -0.0004120500000000, -0.0028561800000000,  0.0000277500000000 ]  - [   0.0000485900000000, -0.0005013700000000, -0.0001318800000000 ]  - [   0.0003706500000000,  0.0000340100000000,  0.0003162900000000 ]  - [   0.0000793800000000,  0.0005130300000000, -0.0001066300000000 ]  - [   0.0003099700000000, -0.0004880600000000, -0.0000604900000000 ]  - [   0.0003207300000000,  0.0006046900000000, -0.0001209600000000 ]  - [   0.0007744800000000,  0.0000936700000000, -0.0001384700000000 ]  - [   0.0000085700000000,  0.0004381500000000,  0.0001439700000000 ]  - [  -0.0009746600000000,  0.0004432300000000, -0.0012302800000000 ]  - [  -0.0000787200000000, -0.0003958700000000,  0.0001344400000000 ]  - [  -0.0005282800000000,  0.0002005100000000,  0.0010950900000000 ]  - [   0.0006350800000000,  0.0004205300000000, -0.0012869300000000 ]  - [   0.0074302800000000,  0.0695083500000000,  0.0071711100000000 ]  - [  -0.0017159000000000, -0.0053962300000000, -0.0102055000000000 ]  - [   0.0004077300000000,  0.0022773200000000, -0.0001815700000000 ]  - [   0.0004404200000000, -0.0020179200000000,  0.0002679800000000 ]  - [  -0.0024788400000000, -0.0049064100000000,  0.0097144700000000 ]  - [  -0.0001701200000000, -0.0011823800000000, -0.0016124100000000 ]  - [  -0.0000570300000000, -0.0027604600000000, -0.0001252100000000 ]  - [   0.0007280200000000, -0.0018171600000000,  0.0014261100000000 ]  - [  -0.0005330700000000,  0.0033941800000000,  0.0004949300000000 ]  - [  -0.0011012600000000,  0.0001572800000000,  0.0008784200000000 ]  - [  -0.0002491400000000, -0.0015572900000000, -0.0001633800000000 ]  - [   0.0000437400000000, -0.0012101300000000, -0.0001284500000000 ]  - [  -0.0025337800000000, -0.0013180600000000, -0.0000925200000000 ]  - [   0.0015171600000000, -0.0020394900000000,  0.0004791100000000 ]  - [   0.0004425400000000,  0.0009604900000000,  0.0001710200000000 ]  - [   0.0002457800000000, -0.0000104800000000, -0.0000601100000000 ]  - [   0.0005378000000000,  0.0001926400000000,  0.0009208700000000 ]  - [   0.0005587100000000, -0.0020798600000000, -0.0001693400000000 ]  - [   0.0004388600000000,  0.0009440900000000, -0.0011676800000000 ]  - [  -0.0001316400000000,  0.0002145000000000,  0.0002344600000000 ]  - [  -0.0002187400000000,  0.0023162600000000, -0.0001533400000000 ]  - [  -0.0001665000000000,  0.0006705700000000, -0.0001966200000000 ]  - [  -0.0007495300000000,  0.0001642900000000, -0.0011329400000000 ]  - [  -0.0001156300000000, -0.0006943200000000, -0.0001372100000000 ]  - [   0.0103592900000000, -0.0026786800000000, -0.0004932400000000 ]  - [  -0.0005095800000000,  0.0020446300000000,  0.0002416200000000 ]  - [  -0.0102070900000000, -0.0052042900000000, -0.0020973200000000 ]  - [  -0.0009061900000000, -0.0002972100000000, -0.0009088400000000 ]  - [  -0.0007827200000000,  0.0071443800000000, -0.0006321000000000 ]  - [  -0.0004396600000000, -0.0022161500000000, -0.0009154600000000 ]  - [   0.0009206000000000, -0.0005876600000000,  0.0002510400000000 ]  - [   0.0001639800000000, -0.0009164200000000,  0.0000018100000000 ]  - [  -0.0007227900000000, -0.0169374700000000, -0.0010685300000000 ]  - [  -0.0010100500000000, -0.0003698800000000, -0.0034122600000000 ]  - [   0.0001326600000000,  0.0031371800000000, -0.0000438000000000 ]  - [   0.0036128000000000,  0.0001510800000000, -0.0009013100000000 ]  - [  -0.0004097600000000,  0.0033451700000000,  0.0008377700000000 ]  - [  -0.0013185900000000,  0.0003478200000000, -0.0010276300000000 ]  - [  -0.0030691000000000, -0.0007540600000000,  0.0005147900000000 ]  - [   0.0001443900000000, -0.0014750500000000,  0.0005059700000000 ]  - [   0.0003997700000000, -0.0000063400000000,  0.0004818800000000 ]  - [  -0.0028720600000000, -0.0178923700000000, -0.0003383700000000 ]  - [   0.0052453800000000,  0.0004677800000000,  0.0056897000000000 ]  - [  -0.0004746600000000,  0.0017836200000000,  0.0009793200000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0004761800000000,  0.0018944500000000,  0.0033673400000000 ]  - [   0.0000862800000000, -0.0002457300000000,  0.0007638100000000 ]  - [  -0.0003996500000000,  0.0014668000000000,  0.0037250900000000 ]  - [   0.0002918000000000, -0.0001587700000000, -0.0020195300000000 ]  - [  -0.0016004700000000, -0.0000865900000000,  0.0034419600000000 ]  - [   0.0004658600000000, -0.0003268600000000, -0.0017162800000000 ]  - [  -0.0005705400000000, -0.0006926800000000, -0.0009042800000000 ]  - [   0.0001697300000000,  0.0002179200000000, -0.0004898800000000 ]  - [  -0.0002630900000000, -0.0001089300000000,  0.0001635600000000 ]  - [   0.0000130300000000, -0.0000189300000000,  0.0003058500000000 ]  - [   0.0001604300000000,  0.0000601800000000,  0.0005840500000000 ]  - [  -0.0000248000000000, -0.0000730700000000, -0.0002986900000000 ]  - [  -0.0008707100000000,  0.0010195300000000,  0.0006795200000000 ]  - [  -0.0003593000000000,  0.0000369500000000, -0.0027859400000000 ]  - [   0.0007790900000000, -0.0016699400000000, -0.0013952400000000 ]  - [   0.0009811100000000,  0.0018793000000000, -0.0011196400000000 ]  - [   0.0066431000000000, -0.0074740800000000, -0.1332700900000000 ]  - [   0.0029461300000000,  0.0100273400000000,  0.0051503500000000 ]  - [   0.0001775200000000, -0.0006869600000000,  0.0042582500000000 ]  - [  -0.0001379400000000, -0.0002627600000000,  0.0026911900000000 ]  - [  -0.0022730500000000, -0.0079449000000000,  0.0061118800000000 ]  - [   0.0004476500000000,  0.0020446400000000,  0.0033258500000000 ]  - [   0.0003544000000000,  0.0000523900000000, -0.0010746300000000 ]  - [   0.0007602900000000, -0.0028190800000000,  0.0018209700000000 ]  - [  -0.0078748000000000, -0.0029461300000000,  0.0026769200000000 ]  - [  -0.0007847400000000, -0.0007411300000000,  0.0023867600000000 ]  - [  -0.0009279500000000, -0.0006507200000000, -0.0013594100000000 ]  - [   0.0003694000000000, -0.0003331700000000,  0.0001099700000000 ]  - [   0.0001859600000000,  0.0001186000000000, -0.0026610100000000 ]  - [   0.0004851700000000, -0.0010421000000000, -0.0010675700000000 ]  - [   0.0020428200000000, -0.0004722800000000,  0.0011696200000000 ]  - [  -0.0000783300000000, -0.0000720700000000,  0.0015783200000000 ]  - [  -0.0015757600000000, -0.0009291400000000, -0.0020281500000000 ]  - [  -0.0006146300000000,  0.0002058900000000, -0.0006636100000000 ]  - [  -0.0009207100000000,  0.0011627100000000, -0.0001065300000000 ]  - [  -0.0005976100000000, -0.0015007400000000,  0.0010325800000000 ]  - [  -0.0012362500000000,  0.0001624300000000, -0.0025330800000000 ]  - [  -0.0005499500000000, -0.0006238700000000,  0.0034168400000000 ]  - [   0.0007867600000000,  0.0011096700000000, -0.0000112800000000 ]  - [   0.0004223100000000, -0.0000420300000000,  0.0006854300000000 ]  - [  -0.0048186500000000,  0.0029388400000000, -0.0034156200000000 ]  - [  -0.0105540900000000, -0.0005188000000000,  0.0053968900000000 ]  - [  -0.0016848500000000, -0.0029271300000000, -0.0079684700000000 ]  - [   0.0012626200000000,  0.0006045900000000,  0.0024709900000000 ]  - [   0.0160363500000000,  0.0036393400000000,  0.0058056900000000 ]  - [   0.0011709700000000,  0.0007876600000000, -0.0000925000000000 ]  - [   0.0006520400000000, -0.0004887200000000,  0.0015651700000000 ]  - [  -0.0003552800000000,  0.0000067600000000,  0.0011632300000000 ]  - [  -0.0073407000000000,  0.0017155900000000,  0.0853182100000000 ]  - [  -0.0008480600000000,  0.0012812500000000, -0.0077203200000000 ]  - [   0.0005203100000000,  0.0004989700000000, -0.0011254200000000 ]  - [   0.0046809000000000,  0.0049282800000000,  0.0020560100000000 ]  - [   0.0001932200000000,  0.0008094000000000,  0.0019953300000000 ]  - [  -0.0014688800000000,  0.0017058100000000, -0.0014624300000000 ]  - [   0.0029473400000000, -0.0004319300000000,  0.0022815900000000 ]  - [   0.0045814400000000,  0.0000893800000000, -0.0007445200000000 ]  - [  -0.0011968100000000,  0.0009343800000000, -0.0024942200000000 ]  - [   0.0063959000000000,  0.0014979800000000,  0.0216962100000000 ]  - [  -0.0062308000000000, -0.0062906500000000,  0.0033251800000000 ]  - [  -0.0003753200000000, -0.0003171300000000, -0.0019922400000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0004702900000000, -0.0019140500000000, -0.0033953700000000 ]  - [  -0.0000854500000000,  0.0002589800000000, -0.0007574800000000 ]  - [   0.0004064100000000, -0.0014647500000000, -0.0037289600000000 ]  - [  -0.0002784900000000,  0.0001754200000000,  0.0020241400000000 ]  - [   0.0015895600000000,  0.0000750500000000, -0.0034593200000000 ]  - [  -0.0004713500000000,  0.0003288000000000,  0.0017216800000000 ]  - [   0.0005640000000000,  0.0006776900000000,  0.0009212300000000 ]  - [  -0.0001577200000000, -0.0002193400000000,  0.0005047300000000 ]  - [   0.0002455200000000,  0.0001096700000000, -0.0001796300000000 ]  - [  -0.0000150400000000,  0.0000185100000000, -0.0003104100000000 ]  - [  -0.0001685900000000, -0.0000730800000000, -0.0005981800000000 ]  - [   0.0000368900000000,  0.0000612900000000,  0.0003032900000000 ]  - [   0.0008598000000000, -0.0010044400000000, -0.0006927800000000 ]  - [   0.0003647400000000, -0.0000227300000000,  0.0027727400000000 ]  - [  -0.0007675300000000,  0.0016633700000000,  0.0014009400000000 ]  - [  -0.0009583700000000, -0.0018708900000000,  0.0011116800000000 ]  - [  -0.0077214000000000,  0.0075206200000000,  0.1394869800000000 ]  - [  -0.0029350100000000, -0.0101216600000000, -0.0051612400000000 ]  - [  -0.0001478900000000,  0.0007628500000000, -0.0042636400000000 ]  - [   0.0001129900000000,  0.0002438800000000, -0.0027179800000000 ]  - [   0.0023196100000000,  0.0080676000000000, -0.0061809900000000 ]  - [  -0.0004794300000000, -0.0020815400000000, -0.0032440500000000 ]  - [  -0.0004058300000000, -0.0000207600000000,  0.0011541300000000 ]  - [  -0.0006702700000000,  0.0028577200000000, -0.0018562400000000 ]  - [   0.0079326700000000,  0.0029257000000000, -0.0027447100000000 ]  - [   0.0008413600000000,  0.0007132500000000, -0.0023101900000000 ]  - [   0.0009694300000000,  0.0007099400000000,  0.0014505300000000 ]  - [  -0.0003839000000000,  0.0003546200000000, -0.0001388500000000 ]  - [  -0.0001700400000000, -0.0001005100000000,  0.0026495700000000 ]  - [  -0.0005193800000000,  0.0009614400000000,  0.0010131900000000 ]  - [  -0.0020821100000000,  0.0003860200000000, -0.0011424100000000 ]  - [   0.0001683500000000,  0.0001041400000000, -0.0015278200000000 ]  - [   0.0015125900000000,  0.0009703700000000,  0.0019939600000000 ]  - [   0.0006806500000000, -0.0002927100000000,  0.0006313900000000 ]  - [   0.0009589800000000, -0.0012387000000000,  0.0001376500000000 ]  - [   0.0005771500000000,  0.0015173500000000, -0.0010164800000000 ]  - [   0.0012859800000000, -0.0001377700000000,  0.0025507700000000 ]  - [   0.0005161900000000,  0.0006716900000000, -0.0035022200000000 ]  - [  -0.0008380200000000, -0.0011502800000000, -0.0000617200000000 ]  - [  -0.0003415300000000, -0.0000088500000000, -0.0006539200000000 ]  - [   0.0048236000000000, -0.0029301300000000,  0.0034365200000000 ]  - [   0.0105470800000000,  0.0005488500000000, -0.0054581200000000 ]  - [   0.0017854500000000,  0.0029501000000000,  0.0079218000000000 ]  - [  -0.0012939500000000, -0.0006297500000000, -0.0024523200000000 ]  - [  -0.0162993800000000, -0.0036956900000000, -0.0058319100000000 ]  - [  -0.0012151800000000, -0.0007082100000000,  0.0001526100000000 ]  - [  -0.0007104200000000,  0.0005763000000000, -0.0016003800000000 ]  - [   0.0004339000000000, -0.0000390600000000, -0.0012178400000000 ]  - [   0.0082430600000000, -0.0017962400000000, -0.0912262300000000 ]  - [   0.0008538800000000, -0.0013219000000000,  0.0077031100000000 ]  - [  -0.0005569200000000, -0.0005004000000000,  0.0011021500000000 ]  - [  -0.0046726200000000, -0.0049555100000000, -0.0021107900000000 ]  - [  -0.0002058500000000, -0.0007723000000000, -0.0020361700000000 ]  - [   0.0014190600000000, -0.0016644400000000,  0.0014683500000000 ]  - [  -0.0029654400000000,  0.0004605900000000, -0.0022829400000000 ]  - [  -0.0045933100000000, -0.0000548400000000,  0.0007977600000000 ]  - [   0.0011670200000000, -0.0009293200000000,  0.0025352900000000 ]  - [  -0.0061857900000000, -0.0014950900000000, -0.0217177900000000 ]  - [   0.0062600400000000,  0.0062605100000000, -0.0033600400000000 ]  - [   0.0003499900000000,  0.0002826100000000,  0.0019929400000000 ]- atom:   20  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006045600000000, -0.0000943000000000,  0.0003172100000000 ]  - [   0.0036713400000000, -0.0002865000000000, -0.0012738200000000 ]  - [   0.0008461200000000,  0.0000300300000000,  0.0004132500000000 ]  - [   0.0029231100000000, -0.0015104600000000, -0.0002707600000000 ]  - [  -0.0001006000000000, -0.0000373700000000,  0.0000638200000000 ]  - [  -0.0001467800000000,  0.0007403900000000,  0.0000785000000000 ]  - [  -0.0007412800000000,  0.0010010300000000,  0.0011130700000000 ]  - [  -0.0021601300000000, -0.0007920700000000, -0.0004560500000000 ]  - [  -0.0007430900000000,  0.0003532500000000,  0.0000565800000000 ]  - [  -0.0021434200000000, -0.0004551300000000,  0.0002707100000000 ]  - [  -0.0008817200000000,  0.0000421200000000,  0.0002742200000000 ]  - [  -0.0027679700000000, -0.0001005900000000, -0.0003455400000000 ]  - [  -0.0001134400000000, -0.0009783900000000,  0.0015629100000000 ]  - [   0.0002804000000000, -0.0008328100000000, -0.0003607200000000 ]  - [   0.0005279100000000, -0.0014684300000000, -0.0014180400000000 ]  - [   0.0005366100000000,  0.0015214600000000, -0.0005265300000000 ]  - [  -0.0011307300000000, -0.0004653600000000, -0.0000952900000000 ]  - [  -0.0026218900000000, -0.0009286100000000, -0.0000624700000000 ]  - [  -0.0022877200000000, -0.0002327300000000,  0.0001160600000000 ]  - [  -0.0923086800000000, -0.0071594200000000, -0.0071834900000000 ]  - [  -0.0034228700000000, -0.0012330500000000,  0.0006940000000000 ]  - [  -0.0071636000000000, -0.0036506200000000, -0.0036285900000000 ]  - [  -0.0025701800000000,  0.0001720600000000, -0.0001551300000000 ]  - [  -0.0032128200000000,  0.0023104800000000, -0.0025035600000000 ]  - [  -0.0008238500000000, -0.0013035200000000,  0.0008769500000000 ]  - [   0.0061857300000000, -0.0098262900000000,  0.0041775600000000 ]  - [   0.0013430000000000, -0.0000833700000000,  0.0039875300000000 ]  - [   0.0038012600000000,  0.0012418000000000, -0.0075654400000000 ]  - [   0.0006326800000000, -0.0007894400000000,  0.0000704500000000 ]  - [   0.0002702900000000,  0.0011091500000000, -0.0006429000000000 ]  - [   0.0009934500000000,  0.0001894200000000, -0.0002060600000000 ]  - [   0.0045037300000000,  0.0025778600000000, -0.0001547000000000 ]  - [   0.0020874100000000, -0.0001074000000000,  0.0005586700000000 ]  - [   0.0027325800000000, -0.0003405000000000, -0.0002941800000000 ]  - [   0.0012354200000000, -0.0000288400000000,  0.0003693200000000 ]  - [   0.0024014100000000, -0.0000673300000000,  0.0003320700000000 ]  - [   0.0009127100000000, -0.0003177700000000, -0.0000687800000000 ]  - [   0.0019869900000000, -0.0002228300000000,  0.0005320700000000 ]  - [   0.0024293600000000, -0.0009362800000000, -0.0001931400000000 ]  - [   0.0067812700000000, -0.0012940800000000,  0.0002532100000000 ]  - [   0.0003104900000000,  0.0004032700000000,  0.0000693700000000 ]  - [   0.0001543700000000, -0.0001011400000000,  0.0003891200000000 ]  - [  -0.0001857700000000, -0.0015298000000000, -0.0007060400000000 ]  - [   0.0037710700000000, -0.0046857400000000, -0.0007006900000000 ]  - [  -0.0007585700000000, -0.0003318700000000, -0.0007816800000000 ]  - [   0.0048693200000000, -0.0039857500000000, -0.0079117100000000 ]  - [   0.0057611000000000,  0.0160288000000000, -0.0006947000000000 ]  - [   0.0058307900000000, -0.0008517300000000,  0.0160030300000000 ]  - [   0.0023531100000000,  0.0017021900000000,  0.0001981800000000 ]  - [   0.0225770300000000,  0.0085428100000000, -0.0022187300000000 ]  - [   0.0215536000000000, -0.0018195100000000,  0.0086424300000000 ]  - [  -0.0008410200000000,  0.0022443500000000, -0.0061012100000000 ]  - [  -0.0001317000000000,  0.0003912500000000,  0.0019123600000000 ]  - [  -0.0025179100000000, -0.0040683900000000,  0.0014565200000000 ]  - [  -0.0018820800000000,  0.0006418700000000, -0.0007132300000000 ]  - [  -0.0018283300000000, -0.0000998200000000, -0.0004436400000000 ]  - [  -0.0074311400000000,  0.0012421300000000, -0.0016693600000000 ]  - [   0.0004663400000000,  0.0010385200000000,  0.0004659400000000 ]  - [   0.0009727400000000,  0.0062769800000000,  0.0027683500000000 ]  - [   0.0246100200000000,  0.0032160800000000,  0.0013227700000000 ]- atom:   20  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006227100000000,  0.0000949300000000, -0.0003158300000000 ]  - [  -0.0036818700000000,  0.0003039700000000,  0.0012806500000000 ]  - [  -0.0008505600000000, -0.0000306900000000, -0.0004190700000000 ]  - [  -0.0029178100000000,  0.0015165000000000,  0.0002738000000000 ]  - [   0.0000905800000000,  0.0000217300000000, -0.0000667300000000 ]  - [   0.0001503100000000, -0.0007462000000000, -0.0000767600000000 ]  - [   0.0007551400000000, -0.0010096000000000, -0.0010959100000000 ]  - [   0.0025187300000000,  0.0007930200000000,  0.0004927600000000 ]  - [   0.0007303700000000, -0.0003555800000000, -0.0000719300000000 ]  - [   0.0021487400000000,  0.0004577000000000, -0.0002738700000000 ]  - [   0.0008863300000000, -0.0000581400000000, -0.0002895900000000 ]  - [   0.0027844800000000,  0.0000887400000000,  0.0003468900000000 ]  - [   0.0000966400000000,  0.0009970600000000, -0.0015636600000000 ]  - [  -0.0002829400000000,  0.0008424400000000,  0.0003489700000000 ]  - [  -0.0005420600000000,  0.0014702300000000,  0.0014178600000000 ]  - [  -0.0005277700000000, -0.0015244400000000,  0.0005135300000000 ]  - [   0.0010595300000000,  0.0004402400000000,  0.0001525900000000 ]  - [   0.0026854000000000,  0.0010170000000000,  0.0000940900000000 ]  - [   0.0023296400000000,  0.0003345200000000, -0.0001800300000000 ]  - [   0.0950936100000000,  0.0070240000000000,  0.0070014000000000 ]  - [   0.0034420200000000,  0.0012345900000000, -0.0007314500000000 ]  - [   0.0071093500000000,  0.0036859900000000,  0.0038039300000000 ]  - [   0.0025166500000000, -0.0001483600000000,  0.0002563700000000 ]  - [   0.0032787100000000, -0.0022849900000000,  0.0024928000000000 ]  - [   0.0007362100000000,  0.0012557000000000, -0.0009073000000000 ]  - [  -0.0061113600000000,  0.0097120000000000, -0.0040891500000000 ]  - [  -0.0013142100000000,  0.0001326600000000, -0.0038982800000000 ]  - [  -0.0038027000000000, -0.0012261200000000,  0.0074861800000000 ]  - [  -0.0006233900000000,  0.0008033500000000, -0.0000872100000000 ]  - [  -0.0003079800000000, -0.0011861300000000,  0.0005939200000000 ]  - [  -0.0010532900000000, -0.0002697400000000,  0.0002370500000000 ]  - [  -0.0044172600000000, -0.0025266800000000,  0.0002001500000000 ]  - [  -0.0021713900000000,  0.0001393300000000, -0.0006128500000000 ]  - [  -0.0026813400000000,  0.0002582700000000,  0.0002611400000000 ]  - [  -0.0012060800000000, -0.0000540400000000, -0.0003224900000000 ]  - [  -0.0024243800000000,  0.0000886800000000, -0.0003172100000000 ]  - [  -0.0008957200000000,  0.0003388600000000,  0.0000884300000000 ]  - [  -0.0020262600000000,  0.0002808500000000, -0.0006182800000000 ]  - [  -0.0024926600000000,  0.0009083500000000,  0.0001144300000000 ]  - [  -0.0066890800000000,  0.0012333100000000, -0.0002267900000000 ]  - [  -0.0003855000000000, -0.0003529900000000, -0.0000355500000000 ]  - [  -0.0000990800000000,  0.0001359700000000, -0.0004730800000000 ]  - [   0.0002205400000000,  0.0014891900000000,  0.0006333400000000 ]  - [  -0.0038328400000000,  0.0047316000000000,  0.0007239400000000 ]  - [   0.0007866100000000,  0.0003175200000000,  0.0008080000000000 ]  - [  -0.0049545000000000,  0.0040977800000000,  0.0080959400000000 ]  - [  -0.0058736400000000, -0.0162188100000000,  0.0006647400000000 ]  - [  -0.0058058600000000,  0.0008180600000000, -0.0163275000000000 ]  - [  -0.0023229600000000, -0.0017645500000000, -0.0002013000000000 ]  - [  -0.0225894400000000, -0.0085324300000000,  0.0022546800000000 ]  - [  -0.0215958200000000,  0.0018933600000000, -0.0086174100000000 ]  - [   0.0008917900000000, -0.0022417500000000,  0.0060703200000000 ]  - [   0.0001434700000000, -0.0003501300000000, -0.0019476600000000 ]  - [   0.0025084400000000,  0.0040949500000000, -0.0014461900000000 ]  - [   0.0019240200000000, -0.0006049500000000,  0.0007174000000000 ]  - [   0.0018340500000000,  0.0001346800000000,  0.0004870700000000 ]  - [   0.0074203100000000, -0.0012420300000000,  0.0017150500000000 ]  - [  -0.0004411100000000, -0.0010472600000000, -0.0004312700000000 ]  - [  -0.0009797500000000, -0.0063489800000000, -0.0027478600000000 ]  - [  -0.0276183300000000, -0.0030625100000000, -0.0012351900000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0031716800000000, -0.0007619200000000,  0.0003950600000000 ]  - [  -0.0007501300000000,  0.0015139800000000,  0.0000633300000000 ]  - [  -0.0036460100000000,  0.0001809600000000,  0.0000562700000000 ]  - [  -0.0035833800000000, -0.0012598700000000, -0.0009120400000000 ]  - [   0.0041650100000000, -0.0013099500000000,  0.0114025800000000 ]  - [   0.0047691300000000, -0.0007977100000000, -0.0102444500000000 ]  - [   0.0000823400000000, -0.0002913400000000, -0.0002891800000000 ]  - [   0.0003400400000000,  0.0009003900000000, -0.0001657400000000 ]  - [   0.0107133600000000, -0.0014790900000000,  0.0000173400000000 ]  - [   0.0010250600000000,  0.0012493800000000, -0.0002610800000000 ]  - [   0.0022383300000000,  0.0003728100000000, -0.0003598500000000 ]  - [   0.0006991000000000,  0.0001253500000000,  0.0001111800000000 ]  - [   0.0035079900000000, -0.0082666400000000,  0.0001768600000000 ]  - [   0.0031240700000000, -0.0008466100000000,  0.0087926400000000 ]  - [  -0.0001768100000000, -0.0002231200000000, -0.0004355900000000 ]  - [  -0.0001312900000000,  0.0002668800000000, -0.0007346500000000 ]  - [   0.0228033400000000,  0.0007277900000000, -0.0079376100000000 ]  - [   0.0217667400000000,  0.0042061700000000, -0.0003488600000000 ]  - [   0.0169623400000000,  0.0010377200000000,  0.0019505400000000 ]  - [   0.0023275500000000, -0.0016998800000000,  0.0003552800000000 ]  - [   0.0216072800000000, -0.0032425900000000,  0.0022295500000000 ]  - [   0.0014806900000000, -0.0000885800000000,  0.0007705700000000 ]  - [   0.0019930900000000, -0.0008360500000000, -0.0003999500000000 ]  - [   0.0014765900000000, -0.0005157800000000,  0.0001322000000000 ]  - [   0.0779983600000000, -0.0060062700000000,  0.0031897900000000 ]  - [   0.0033910700000000, -0.0056952200000000,  0.0068416900000000 ]  - [   0.0003818500000000, -0.0012697500000000, -0.0001051500000000 ]  - [   0.0004498700000000, -0.0006121200000000, -0.0004757100000000 ]  - [  -0.0025018800000000, -0.0060928400000000, -0.0063250400000000 ]  - [  -0.0003439200000000,  0.0011007800000000, -0.0017168800000000 ]  - [  -0.0011332100000000,  0.0001180600000000,  0.0000336800000000 ]  - [  -0.0019270500000000,  0.0013131100000000,  0.0014792800000000 ]  - [  -0.0109584900000000, -0.0030627900000000, -0.0029815600000000 ]  - [  -0.0024877000000000, -0.0010993900000000, -0.0004820200000000 ]  - [  -0.0017866100000000,  0.0008258000000000,  0.0003249300000000 ]  - [  -0.0019124900000000, -0.0004396300000000,  0.0001257300000000 ]  - [  -0.0074177100000000,  0.0017408100000000,  0.0019342700000000 ]  - [  -0.0033401400000000,  0.0008199700000000, -0.0007016800000000 ]  - [  -0.0077418200000000, -0.0034031000000000, -0.0026051400000000 ]  - [  -0.0014612900000000, -0.0012084400000000, -0.0004025900000000 ]  - [  -0.0039155700000000,  0.0047020100000000,  0.0036013100000000 ]  - [  -0.0007531200000000,  0.0005020200000000,  0.0010778800000000 ]  - [  -0.0005042300000000, -0.0062940200000000,  0.0062000500000000 ]  - [  -0.0008851300000000, -0.0040786000000000, -0.0027502500000000 ]  - [   0.0245610000000000, -0.0086957800000000,  0.0085639700000000 ]  - [   0.0007503500000000, -0.0012728600000000, -0.0004163400000000 ]  - [   0.0020380200000000,  0.0017376300000000, -0.0008988400000000 ]  - [   0.0010533600000000, -0.0004755000000000, -0.0003905300000000 ]  - [  -0.2152136600000000, -0.0409354800000000,  0.0151069200000000 ]  - [  -0.0108997900000000,  0.0006768100000000, -0.0043650000000000 ]  - [  -0.0024428600000000,  0.0008774200000000,  0.0001850200000000 ]  - [   0.0148938500000000,  0.0451809300000000,  0.0007394000000000 ]  - [  -0.0004578000000000,  0.0033245300000000,  0.0007427300000000 ]  - [  -0.0000606600000000,  0.0007340700000000,  0.0003442900000000 ]  - [   0.0096059400000000, -0.0022795100000000,  0.0040028300000000 ]  - [   0.0027564900000000, -0.0001818900000000, -0.0011034400000000 ]  - [   0.0053999200000000, -0.0001093800000000,  0.0033140100000000 ]  - [   0.0147681300000000, -0.0030038000000000, -0.0413181100000000 ]  - [   0.0115040300000000,  0.0413224900000000,  0.0044026200000000 ]  - [  -0.0010298600000000,  0.0022776500000000,  0.0004634600000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0031613100000000,  0.0007381700000000, -0.0004069000000000 ]  - [   0.0007483500000000, -0.0015018100000000, -0.0000517400000000 ]  - [   0.0036405200000000, -0.0001525700000000, -0.0000832600000000 ]  - [   0.0035813400000000,  0.0013070200000000,  0.0009426500000000 ]  - [  -0.0041449300000000,  0.0012909800000000, -0.0113061400000000 ]  - [  -0.0047326500000000,  0.0008018100000000,  0.0101529500000000 ]  - [  -0.0000890600000000,  0.0002780600000000,  0.0003045700000000 ]  - [  -0.0003304800000000, -0.0009031800000000,  0.0001795000000000 ]  - [  -0.0107255700000000,  0.0014871700000000, -0.0000257900000000 ]  - [  -0.0010234000000000, -0.0012515100000000,  0.0002600500000000 ]  - [  -0.0022372800000000, -0.0003897900000000,  0.0003490900000000 ]  - [  -0.0006854500000000, -0.0001392900000000, -0.0001098300000000 ]  - [  -0.0035463800000000,  0.0083620600000000, -0.0001747400000000 ]  - [  -0.0031393700000000,  0.0008616300000000, -0.0088954600000000 ]  - [   0.0001859500000000,  0.0002195100000000,  0.0004379400000000 ]  - [   0.0001519800000000, -0.0002623900000000,  0.0007230500000000 ]  - [  -0.0227699800000000, -0.0007676600000000,  0.0076313100000000 ]  - [  -0.0216426600000000, -0.0037672400000000,  0.0004046900000000 ]  - [  -0.0168924700000000, -0.0010001500000000, -0.0015674800000000 ]  - [  -0.0023478700000000,  0.0016839900000000, -0.0003851700000000 ]  - [  -0.0215355000000000,  0.0030346600000000, -0.0022471100000000 ]  - [  -0.0015093600000000,  0.0000526700000000, -0.0007030300000000 ]  - [  -0.0020457700000000,  0.0008703700000000,  0.0004803200000000 ]  - [  -0.0013871700000000,  0.0005679500000000, -0.0001654800000000 ]  - [  -0.0724331900000000,  0.0065665500000000, -0.0029777600000000 ]  - [  -0.0032939300000000,  0.0056319500000000, -0.0067467800000000 ]  - [  -0.0003296900000000,  0.0013428300000000,  0.0001824400000000 ]  - [  -0.0004595400000000,  0.0006372900000000,  0.0004545700000000 ]  - [   0.0025273300000000,  0.0060757600000000,  0.0062999700000000 ]  - [   0.0003198300000000, -0.0011638800000000,  0.0016464700000000 ]  - [   0.0010896800000000, -0.0001964300000000, -0.0000021900000000 ]  - [   0.0020120000000000, -0.0012685800000000, -0.0014029400000000 ]  - [   0.0109140400000000,  0.0031026500000000,  0.0029265100000000 ]  - [   0.0025506200000000,  0.0010182100000000,  0.0004508300000000 ]  - [   0.0018216300000000, -0.0009098000000000, -0.0002747000000000 ]  - [   0.0018947300000000,  0.0004606300000000, -0.0001057700000000 ]  - [   0.0074364200000000, -0.0017241900000000, -0.0019201200000000 ]  - [   0.0033077800000000, -0.0007580800000000,  0.0006356400000000 ]  - [   0.0076768700000000,  0.0033780600000000,  0.0025352400000000 ]  - [   0.0015351600000000,  0.0011578800000000,  0.0004358000000000 ]  - [   0.0038324900000000, -0.0046474600000000, -0.0035960600000000 ]  - [   0.0007851700000000, -0.0004686300000000, -0.0011616100000000 ]  - [   0.0005180400000000,  0.0062514500000000, -0.0062970800000000 ]  - [   0.0008463200000000,  0.0040813600000000,  0.0027668600000000 ]  - [  -0.0276716600000000,  0.0085621900000000, -0.0085112800000000 ]  - [  -0.0008020900000000,  0.0013536600000000,  0.0004732200000000 ]  - [  -0.0021379900000000, -0.0016672000000000,  0.0008743700000000 ]  - [  -0.0009847000000000,  0.0004449700000000,  0.0003335100000000 ]  - [   0.2124960500000000,  0.0402936400000000, -0.0158314100000000 ]  - [   0.0108865300000000, -0.0008391400000000,  0.0044254100000000 ]  - [   0.0024083000000000, -0.0008884500000000, -0.0002165500000000 ]  - [  -0.0147111500000000, -0.0448239300000000, -0.0007790400000000 ]  - [   0.0004389500000000, -0.0032810900000000, -0.0007804800000000 ]  - [   0.0000031300000000, -0.0007026300000000, -0.0003456900000000 ]  - [  -0.0095765700000000,  0.0023232000000000, -0.0040002700000000 ]  - [  -0.0027488000000000,  0.0002203100000000,  0.0011412100000000 ]  - [  -0.0054315800000000,  0.0000954500000000, -0.0032898100000000 ]  - [  -0.0148346300000000,  0.0029971100000000,  0.0417582400000000 ]  - [  -0.0115833200000000, -0.0417524000000000, -0.0043872600000000 ]  - [   0.0010136700000000, -0.0023237200000000, -0.0004574800000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0006077500000000,  0.0094941200000000,  0.0047974900000000 ]  - [   0.0000423900000000, -0.0003751500000000, -0.0005546700000000 ]  - [   0.0004917400000000, -0.0102783100000000,  0.0041114200000000 ]  - [  -0.0006869000000000,  0.0112983000000000,  0.0061805700000000 ]  - [   0.0114125400000000, -0.0007142400000000,  0.0062327200000000 ]  - [  -0.0101869600000000,  0.0004927200000000,  0.0040800500000000 ]  - [  -0.0009358700000000, -0.0000615900000000,  0.0022219600000000 ]  - [  -0.0002328200000000, -0.0004722600000000,  0.0000039800000000 ]  - [  -0.0003901100000000,  0.0000435500000000, -0.0005638700000000 ]  - [  -0.0000843200000000, -0.0000854900000000, -0.0009206900000000 ]  - [  -0.0004722900000000, -0.0002454700000000, -0.0000144800000000 ]  - [   0.0001139200000000,  0.0001004900000000,  0.0009384500000000 ]  - [   0.0005751500000000,  0.0005689200000000, -0.0037552500000000 ]  - [   0.0094136300000000,  0.0006274600000000,  0.0047367100000000 ]  - [   0.0007640800000000,  0.0007630500000000,  0.0029818000000000 ]  - [  -0.0000510400000000, -0.0009366900000000,  0.0022079100000000 ]  - [   0.0014852200000000,  0.0013025900000000,  0.0913370800000000 ]  - [  -0.0014589000000000,  0.0025015600000000,  0.0179663800000000 ]  - [   0.0012717800000000,  0.0023896700000000,  0.0852136900000000 ]  - [   0.0001909000000000,  0.0012302200000000, -0.0001565000000000 ]  - [   0.0018594900000000,  0.0011795300000000,  0.0225599800000000 ]  - [   0.0001344700000000,  0.0045605500000000, -0.0074314300000000 ]  - [   0.0001755900000000,  0.0004190500000000, -0.0012052600000000 ]  - [   0.0000743100000000,  0.0005317700000000, -0.0031510000000000 ]  - [   0.0020574700000000, -0.0015351600000000,  0.0178789100000000 ]  - [   0.0062693200000000,  0.0052038700000000,  0.0042988000000000 ]  - [   0.0010358800000000,  0.0008829400000000,  0.0022533100000000 ]  - [   0.0010347900000000,  0.0007262600000000, -0.0018406000000000 ]  - [  -0.0014483300000000, -0.0022372600000000,  0.0009802300000000 ]  - [  -0.0010415300000000,  0.0022949300000000, -0.0014871700000000 ]  - [   0.0004678600000000, -0.0000054300000000, -0.0031191700000000 ]  - [   0.0023596900000000, -0.0009981500000000, -0.0014407600000000 ]  - [   0.0013695900000000, -0.0004852300000000,  0.0022594800000000 ]  - [   0.0009581000000000, -0.0009255200000000, -0.0000091400000000 ]  - [   0.0009990100000000, -0.0003382300000000, -0.0019674000000000 ]  - [   0.0007039600000000,  0.0010529300000000, -0.0018223300000000 ]  - [   0.0012535500000000,  0.0002098100000000, -0.0001194100000000 ]  - [   0.0003851900000000,  0.0002278600000000, -0.0012947000000000 ]  - [   0.0008207800000000,  0.0009897800000000,  0.0021645200000000 ]  - [  -0.0008477500000000,  0.0009053200000000,  0.0000182000000000 ]  - [   0.0081730900000000, -0.0049162400000000, -0.0001226900000000 ]  - [   0.0046120000000000,  0.0001676200000000, -0.0074942900000000 ]  - [   0.0052683200000000,  0.0062244700000000,  0.0042598100000000 ]  - [  -0.0022495000000000, -0.0014536600000000,  0.0009715700000000 ]  - [   0.0013814400000000,  0.0018524400000000,  0.0226045500000000 ]  - [  -0.0005349400000000,  0.0014269600000000,  0.0023030800000000 ]  - [  -0.0049704200000000,  0.0082083000000000, -0.0001655200000000 ]  - [  -0.0002569700000000,  0.0009642600000000, -0.0020192700000000 ]  - [   0.0161018200000000,  0.0148592700000000, -0.2851200400000000 ]  - [  -0.0028395900000000, -0.0448348400000000,  0.0114548500000000 ]  - [  -0.0009020100000000, -0.0032356700000000,  0.0027368400000000 ]  - [  -0.0030348600000000,  0.0027897900000000, -0.0109067100000000 ]  - [  -0.0017192300000000, -0.0000886900000000, -0.0004763800000000 ]  - [  -0.0003601800000000, -0.0003324500000000,  0.0048051900000000 ]  - [  -0.0039929100000000,  0.0004756900000000, -0.0002666600000000 ]  - [  -0.0032316300000000, -0.0008605500000000,  0.0027713100000000 ]  - [  -0.0001168600000000, -0.0017168200000000, -0.0004180400000000 ]  - [  -0.0451665600000000, -0.0028554500000000,  0.0116346500000000 ]  - [   0.0029025100000000, -0.0029658600000000, -0.0108724500000000 ]  - [   0.0004451600000000, -0.0040117100000000, -0.0002496500000000 ]