# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/02b5de5f-3e9d-48a3-a1f5-de929a6b8441/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 Ho3Sb5O12 / I-43m (217) / materials id 771762](https://mdr.nims.go.jp/datasets/78754961-6fb2-4dcb-ac38-239462af24a2)

## 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:  - [    -5.334120950000000,     5.334120950000000,     5.334120950000000 ] # a  - [     5.334120950000000,    -5.334120950000000,     5.334120950000000 ] # b  - [     5.334120950000000,     5.334120950000000,    -5.334120950000000 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 2    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 164.930320  - symbol: Ho # 3    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 164.930320  - symbol: Ho # 4    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 164.930320  - symbol: Ho # 5    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 164.930320  - symbol: Ho # 6    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 164.930320  - symbol: Sb # 7    coordinates: [  0.520068200000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 8    coordinates: [  0.279490750000000,  0.000000000000000,  0.279490750000000 ]    mass: 121.760000  - symbol: Sb # 9    coordinates: [  0.279490750000000,  0.279490750000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 10    coordinates: [  0.720509250000000,  0.000000000000000,  0.720509250000000 ]    mass: 121.760000  - symbol: Sb # 11    coordinates: [  0.720509250000000,  0.720509250000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 12    coordinates: [  0.000000000000000,  0.520068200000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.520068200000000 ]    mass: 121.760000  - symbol: Sb # 14    coordinates: [  0.479931800000000,  0.479931800000000,  0.479931800000000 ]    mass: 121.760000  - symbol: Sb # 15    coordinates: [  0.000000000000000,  0.279490750000000,  0.279490750000000 ]    mass: 121.760000  - symbol: Sb # 16    coordinates: [  0.000000000000000,  0.720509250000000,  0.720509250000000 ]    mass: 121.760000  - symbol: O  # 17    coordinates: [  0.480021330000000,  0.000000000000000,  0.202781390000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.480021330000000,  0.202781390000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.707132730000000,  0.502307650000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.707132730000000,  0.000000000000000,  0.502307650000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.795174920000000,  0.292867270000000,  0.292867270000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.497692350000000,  0.497692350000000,  0.204825080000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.497692350000000,  0.204825080000000,  0.497692350000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.502307650000000,  0.707132730000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.502307650000000,  0.000000000000000,  0.707132730000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.722760060000000,  0.519978670000000,  0.519978670000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.797218610000000,  0.277239940000000,  0.797218610000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.797218610000000,  0.797218610000000,  0.277239940000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.202781390000000,  0.480021330000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.202781390000000,  0.000000000000000,  0.480021330000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.519978670000000,  0.722760060000000,  0.519978670000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.519978670000000,  0.519978670000000,  0.722760060000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.480021330000000,  0.202781390000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.202781390000000,  0.480021330000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.292867270000000,  0.795174920000000,  0.292867270000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.292867270000000,  0.292867270000000,  0.795174920000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.204825080000000,  0.497692350000000,  0.497692350000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.000000000000000,  0.707132730000000,  0.502307650000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.000000000000000,  0.502307650000000,  0.707132730000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.277239940000000,  0.797218610000000,  0.797218610000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.093736157220057,     0.093736157220057 ] # a*  - [     0.093736157220057,     0.000000000000000,     0.093736157220057 ] # b*  - [     0.093736157220057,     0.093736157220057,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    10.668241900000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.668241900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.668241900000000 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 2    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 2  - symbol: Ho # 3    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 3  - symbol: Ho # 4    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 4  - symbol: Ho # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 5  - symbol: Ho # 6    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Ho # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 8    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 2  - symbol: Ho # 9    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 3  - symbol: Ho # 10    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 4  - symbol: Ho # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 5  - symbol: Ho # 12    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Sb # 13    coordinates: [  0.739965900000000,  0.260034100000000,  0.260034100000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.000000000000000,  0.279490750000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.279490750000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 16    coordinates: [  0.000000000000000,  0.720509250000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.720509250000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 18    coordinates: [  0.260034100000000,  0.739965900000000,  0.260034100000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 19    coordinates: [  0.260034100000000,  0.260034100000000,  0.739965900000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 20    coordinates: [  0.239965900000000,  0.239965900000000,  0.239965900000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 21    coordinates: [  0.279490750000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 22    coordinates: [  0.720509250000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 23    coordinates: [  0.239965900000000,  0.760034100000000,  0.760034100000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 24    coordinates: [  0.500000000000000,  0.779490750000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 25    coordinates: [  0.500000000000000,  0.500000000000000,  0.779490750000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 26    coordinates: [  0.500000000000000,  0.220509250000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.220509250000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 28    coordinates: [  0.760034100000000,  0.239965900000000,  0.760034100000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 29    coordinates: [  0.760034100000000,  0.760034100000000,  0.239965900000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 30    coordinates: [  0.739965900000000,  0.739965900000000,  0.739965900000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 31    coordinates: [  0.779490750000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 32    coordinates: [  0.220509250000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: O  # 33    coordinates: [  0.861380030000000,  0.341401360000000,  0.138619970000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.861380030000000,  0.138619970000000,  0.341401360000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.897587460000000,  0.102412540000000,  0.604720190000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.897587460000000,  0.604720190000000,  0.102412540000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.895279810000000,  0.397587460000000,  0.397587460000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.102412540000000,  0.102412540000000,  0.395279810000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.102412540000000,  0.395279810000000,  0.102412540000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.102412540000000,  0.897587460000000,  0.604720190000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.102412540000000,  0.604720190000000,  0.897587460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.158598640000000,  0.361380030000000,  0.361380030000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.138619970000000,  0.658598640000000,  0.138619970000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.138619970000000,  0.138619970000000,  0.658598640000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.138619970000000,  0.861380030000000,  0.341401360000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.138619970000000,  0.341401360000000,  0.861380030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.361380030000000,  0.158598640000000,  0.361380030000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.361380030000000,  0.361380030000000,  0.158598640000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.341401360000000,  0.861380030000000,  0.138619970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.341401360000000,  0.138619970000000,  0.861380030000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.397587460000000,  0.895279810000000,  0.397587460000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.397587460000000,  0.397587460000000,  0.895279810000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.395279810000000,  0.102412540000000,  0.102412540000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.604720190000000,  0.897587460000000,  0.102412540000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.604720190000000,  0.102412540000000,  0.897587460000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.658598640000000,  0.138619970000000,  0.138619970000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.361380030000000,  0.841401360000000,  0.638619970000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.361380030000000,  0.638619970000000,  0.841401360000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.397587460000000,  0.602412540000000,  0.104720190000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.397587460000000,  0.104720190000000,  0.602412540000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.395279810000000,  0.897587460000000,  0.897587460000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.602412540000000,  0.602412540000000,  0.895279810000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.602412540000000,  0.895279810000000,  0.602412540000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.602412540000000,  0.397587460000000,  0.104720190000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.602412540000000,  0.104720190000000,  0.397587460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.658598640000000,  0.861380030000000,  0.861380030000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.638619970000000,  0.158598640000000,  0.638619970000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.638619970000000,  0.638619970000000,  0.158598640000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.638619970000000,  0.361380030000000,  0.841401360000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.638619970000000,  0.841401360000000,  0.361380030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.861380030000000,  0.658598640000000,  0.861380030000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.861380030000000,  0.861380030000000,  0.658598640000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.841401360000000,  0.361380030000000,  0.638619970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.841401360000000,  0.638619970000000,  0.361380030000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.897587460000000,  0.395279810000000,  0.897587460000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.897587460000000,  0.897587460000000,  0.395279810000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.895279810000000,  0.602412540000000,  0.602412540000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.104720190000000,  0.397587460000000,  0.602412540000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.104720190000000,  0.602412540000000,  0.397587460000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.158598640000000,  0.638619970000000,  0.638619970000000 ]    mass: 15.999400    reduced_to: 56supercell:  lattice:  - [    10.668241900000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.668241900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.668241900000000 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 2    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 2  - symbol: Ho # 3    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 3  - symbol: Ho # 4    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 4  - symbol: Ho # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 5  - symbol: Ho # 6    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Ho # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 8    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 2  - symbol: Ho # 9    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 3  - symbol: Ho # 10    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 164.930320    reduced_to: 4  - symbol: Ho # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 5  - symbol: Ho # 12    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Sb # 13    coordinates: [  0.739965900000000,  0.260034100000000,  0.260034100000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.000000000000000,  0.279490750000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.279490750000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 16    coordinates: [  0.000000000000000,  0.720509250000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.720509250000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 18    coordinates: [  0.260034100000000,  0.739965900000000,  0.260034100000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 19    coordinates: [  0.260034100000000,  0.260034100000000,  0.739965900000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 20    coordinates: [  0.239965900000000,  0.239965900000000,  0.239965900000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 21    coordinates: [  0.279490750000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 22    coordinates: [  0.720509250000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 23    coordinates: [  0.239965900000000,  0.760034100000000,  0.760034100000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 24    coordinates: [  0.500000000000000,  0.779490750000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 25    coordinates: [  0.500000000000000,  0.500000000000000,  0.779490750000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 26    coordinates: [  0.500000000000000,  0.220509250000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.220509250000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 28    coordinates: [  0.760034100000000,  0.239965900000000,  0.760034100000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 29    coordinates: [  0.760034100000000,  0.760034100000000,  0.239965900000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 30    coordinates: [  0.739965900000000,  0.739965900000000,  0.739965900000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 31    coordinates: [  0.779490750000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 32    coordinates: [  0.220509250000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: O  # 33    coordinates: [  0.861380030000000,  0.341401360000000,  0.138619970000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.861380030000000,  0.138619970000000,  0.341401360000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.897587460000000,  0.102412540000000,  0.604720190000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.897587460000000,  0.604720190000000,  0.102412540000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.895279810000000,  0.397587460000000,  0.397587460000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.102412540000000,  0.102412540000000,  0.395279810000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.102412540000000,  0.395279810000000,  0.102412540000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.102412540000000,  0.897587460000000,  0.604720190000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.102412540000000,  0.604720190000000,  0.897587460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.158598640000000,  0.361380030000000,  0.361380030000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.138619970000000,  0.658598640000000,  0.138619970000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.138619970000000,  0.138619970000000,  0.658598640000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.138619970000000,  0.861380030000000,  0.341401360000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.138619970000000,  0.341401360000000,  0.861380030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.361380030000000,  0.158598640000000,  0.361380030000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.361380030000000,  0.361380030000000,  0.158598640000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.341401360000000,  0.861380030000000,  0.138619970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.341401360000000,  0.138619970000000,  0.861380030000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.397587460000000,  0.895279810000000,  0.397587460000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.397587460000000,  0.397587460000000,  0.895279810000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.395279810000000,  0.102412540000000,  0.102412540000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.604720190000000,  0.897587460000000,  0.102412540000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.604720190000000,  0.102412540000000,  0.897587460000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.658598640000000,  0.138619970000000,  0.138619970000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.361380030000000,  0.841401360000000,  0.638619970000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.361380030000000,  0.638619970000000,  0.841401360000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.397587460000000,  0.602412540000000,  0.104720190000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.397587460000000,  0.104720190000000,  0.602412540000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.395279810000000,  0.897587460000000,  0.897587460000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.602412540000000,  0.602412540000000,  0.895279810000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.602412540000000,  0.895279810000000,  0.602412540000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.602412540000000,  0.397587460000000,  0.104720190000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.602412540000000,  0.104720190000000,  0.397587460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.658598640000000,  0.861380030000000,  0.861380030000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.638619970000000,  0.158598640000000,  0.638619970000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.638619970000000,  0.638619970000000,  0.158598640000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.638619970000000,  0.361380030000000,  0.841401360000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.638619970000000,  0.841401360000000,  0.361380030000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.861380030000000,  0.658598640000000,  0.861380030000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.861380030000000,  0.861380030000000,  0.658598640000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.841401360000000,  0.361380030000000,  0.638619970000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.841401360000000,  0.638619970000000,  0.361380030000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.897587460000000,  0.395279810000000,  0.897587460000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.897587460000000,  0.897587460000000,  0.395279810000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.895279810000000,  0.602412540000000,  0.602412540000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.104720190000000,  0.397587460000000,  0.602412540000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.104720190000000,  0.602412540000000,  0.397587460000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.158598640000000,  0.638619970000000,  0.638619970000000 ]    mass: 15.999400    reduced_to: 56displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1182771100000000,  0.0000000100000000, -0.0001254800000000 ]  - [  -0.0111853700000000,  0.0017471500000000, -0.0006056200000000 ]  - [   0.0090014000000000,  0.0005779900000000, -0.0119015500000000 ]  - [   0.0002484400000000, -0.0002468600000000,  0.0015269400000000 ]  - [   0.0043009900000000, -0.0004268600000000,  0.0000003900000000 ]  - [   0.0036342400000000, -0.0002378400000000, -0.0002549600000000 ]  - [   0.0015018100000000,  0.0000001900000000,  0.0000031400000000 ]  - [   0.0036321700000000, -0.0002281400000000,  0.0002402100000000 ]  - [   0.0002538700000000, -0.0002467100000000, -0.0015270800000000 ]  - [   0.0089876600000000,  0.0006068400000000,  0.0117911100000000 ]  - [  -0.0042887900000000,  0.0006357300000000,  0.0000046400000000 ]  - [  -0.0111583200000000,  0.0017187700000000,  0.0005771500000000 ]  - [   0.0118167500000000,  0.0128626500000000, -0.0014902000000000 ]  - [  -0.0162301700000000, -0.0035334900000000,  0.0007738500000000 ]  - [  -0.0059916600000000,  0.0014310600000000, -0.0000131800000000 ]  - [  -0.0162842400000000, -0.0035600900000000, -0.0007330400000000 ]  - [  -0.0015422300000000,  0.0000014900000000,  0.0000104400000000 ]  - [   0.0119526500000000,  0.0128547300000000,  0.0016091800000000 ]  - [   0.0006599800000000, -0.0013099600000000,  0.0004823400000000 ]  - [   0.0112505800000000, -0.0144132900000000, -0.0035324500000000 ]  - [  -0.0000763300000000,  0.0005593500000000, -0.0019887800000000 ]  - [  -0.0000528300000000,  0.0005620500000000,  0.0019842200000000 ]  - [   0.0012483900000000,  0.0015388100000000,  0.0009572200000000 ]  - [   0.0038276000000000,  0.0000776900000000, -0.0007868200000000 ]  - [   0.0024240400000000,  0.0001210300000000, -0.0000115800000000 ]  - [   0.0038252500000000,  0.0000978600000000,  0.0007912200000000 ]  - [   0.0084906600000000,  0.0018025400000000,  0.0000095700000000 ]  - [   0.0013547900000000,  0.0014460400000000, -0.0008568200000000 ]  - [   0.0113309900000000, -0.0142109800000000,  0.0034018200000000 ]  - [   0.0005671200000000, -0.0014163500000000, -0.0005783400000000 ]  - [   0.0084053300000000,  0.0010576700000000, -0.0202381200000000 ]  - [   0.0084662200000000,  0.0011120200000000,  0.0203757400000000 ]  - [   0.0048427100000000, -0.0081128800000000, -0.0066279400000000 ]  - [   0.0019107000000000, -0.0038985100000000,  0.0006477100000000 ]  - [   0.0008247400000000, -0.0001175400000000,  0.0004577100000000 ]  - [   0.0220289500000000, -0.0058169600000000,  0.0124777500000000 ]  - [   0.0174623100000000,  0.0098240100000000, -0.0137765300000000 ]  - [   0.0028282500000000,  0.0014139500000000, -0.0005829600000000 ]  - [   0.0222770800000000, -0.0062465800000000, -0.0132255300000000 ]  - [   0.0006758800000000,  0.0000322100000000, -0.0004574000000000 ]  - [   0.0034485000000000, -0.0018539100000000,  0.0010789600000000 ]  - [   0.0000550500000000,  0.0072460100000000, -0.0045898000000000 ]  - [   0.0048765400000000, -0.0081223100000000,  0.0063816900000000 ]  - [   0.0010398700000000,  0.0006160800000000,  0.0001127100000000 ]  - [   0.0017640000000000, -0.0037452000000000, -0.0005358300000000 ]  - [   0.0009164400000000,  0.0020047900000000,  0.0012224600000000 ]  - [  -0.0038468700000000,  0.0016772200000000, -0.0021398400000000 ]  - [  -0.0050023000000000, -0.0001442000000000,  0.0007648200000000 ]  - [  -0.0019943100000000, -0.0029279500000000,  0.0019745900000000 ]  - [  -0.0005113600000000,  0.0001404000000000,  0.0000958900000000 ]  - [  -0.0022453400000000, -0.0006717000000000, -0.0010411800000000 ]  - [  -0.0019521200000000,  0.0004494000000000,  0.0013477900000000 ]  - [  -0.0025098400000000,  0.0005480500000000,  0.0009259500000000 ]  - [  -0.0025112000000000,  0.0006808600000000, -0.0010694900000000 ]  - [  -0.0012821100000000,  0.0001641000000000, -0.0004816400000000 ]  - [  -0.0021178000000000, -0.0030880400000000, -0.0021278200000000 ]  - [  -0.0009270800000000,  0.0001052400000000,  0.0003568000000000 ]  - [  -0.0011050800000000, -0.0001138700000000,  0.0005858100000000 ]  - [  -0.0041064900000000,  0.0000337800000000, -0.0004689400000000 ]  - [  -0.0009715800000000, -0.0001925500000000, -0.0003310000000000 ]  - [  -0.0012705900000000,  0.0003069300000000,  0.0006246900000000 ]  - [  -0.0020988900000000,  0.0003101900000000, -0.0013412400000000 ]  - [  -0.0011226000000000, -0.0001881400000000,  0.0001878800000000 ]  - [  -0.0042557600000000,  0.0001806500000000,  0.0004718400000000 ]  - [  -0.0023864900000000, -0.0006702600000000,  0.0011819500000000 ]  - [  -0.0006154100000000,  0.0002892900000000,  0.0000538200000000 ]  - [  -0.0010814200000000, -0.0000022600000000, -0.0005105400000000 ]  - [  -0.0051516600000000, -0.0003231700000000, -0.0008603500000000 ]  - [  -0.0012650300000000,  0.0000370000000000, -0.0004764300000000 ]  - [  -0.0040150000000000,  0.0017972600000000,  0.0022982600000000 ]  - [   0.0010612100000000,  0.0019035700000000, -0.0010949300000000 ]  - [   0.0011904800000000,  0.0007743200000000, -0.0002232400000000 ]  - [   0.0013341300000000, -0.0028612400000000,  0.0044877600000000 ]  - [  -0.0000774900000000,  0.0072368500000000,  0.0048664700000000 ]  - [   0.0035856500000000, -0.0018480700000000, -0.0009372000000000 ]  - [   0.0029645200000000,  0.0015456900000000,  0.0005889700000000 ]  - [   0.0040600000000000,  0.0017090000000000,  0.0036464400000000 ]  - [   0.0040598200000000,  0.0018541600000000, -0.0037996600000000 ]  - [   0.0178857200000000,  0.0100929400000000,  0.0145813000000000 ]  - [   0.0012374000000000, -0.0030097000000000, -0.0046157400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.1749324600000000 ]  - [   0.0017353800000000, -0.0159003100000000,  0.0090076700000000 ]  - [  -0.0157838600000000, -0.0017265000000000,  0.0089795700000000 ]  - [   0.0009143100000000, -0.0002360300000000,  0.0002493100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014764700000000 ]  - [   0.0002295700000000,  0.0009125500000000,  0.0002548800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008643500000000 ]  - [  -0.0002295700000000, -0.0009125500000000,  0.0002548800000000 ]  - [  -0.0009143100000000,  0.0002360300000000,  0.0002493100000000 ]  - [   0.0157838600000000,  0.0017265000000000,  0.0089795700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0129905400000000 ]  - [  -0.0017353800000000,  0.0159003100000000,  0.0090076700000000 ]  - [   0.0009475700000000, -0.0006806200000000, -0.0159988700000000 ]  - [   0.0026592300000000,  0.0148533400000000,  0.0186879200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024088100000000 ]  - [  -0.0026592300000000, -0.0148533400000000,  0.0186879200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025534400000000 ]  - [  -0.0009475700000000,  0.0006806200000000, -0.0159988700000000 ]  - [  -0.0001157300000000,  0.0007901500000000,  0.0050221300000000 ]  - [  -0.0008121000000000, -0.0009957900000000, -0.0160637600000000 ]  - [  -0.0012613100000000, -0.0002720800000000,  0.0001984500000000 ]  - [   0.0012613100000000,  0.0002720800000000,  0.0001984500000000 ]  - [   0.0007014800000000,  0.0002225600000000,  0.0051143100000000 ]  - [  -0.0002663600000000,  0.0012395500000000,  0.0001884900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025290700000000 ]  - [   0.0002663600000000, -0.0012395500000000,  0.0001884900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023893900000000 ]  - [  -0.0007014800000000, -0.0002225600000000,  0.0051143100000000 ]  - [   0.0008121000000000,  0.0009957900000000, -0.0160637600000000 ]  - [   0.0001157300000000, -0.0007901500000000,  0.0050221300000000 ]  - [  -0.0150818400000000,  0.0027009800000000,  0.0187527500000000 ]  - [   0.0150818400000000, -0.0027009800000000,  0.0187527500000000 ]  - [  -0.0091051800000000, -0.0095236300000000,  0.0075349900000000 ]  - [   0.0011930900000000,  0.0011695700000000,  0.0031298200000000 ]  - [   0.0010441500000000,  0.0016718400000000, -0.0021058800000000 ]  - [   0.0143173700000000, -0.0087466200000000,  0.0258920200000000 ]  - [  -0.0096588100000000, -0.0150972200000000,  0.0271151700000000 ]  - [  -0.0009373100000000,  0.0020569600000000,  0.0024025200000000 ]  - [  -0.0143173700000000,  0.0087466200000000,  0.0258920200000000 ]  - [  -0.0010441500000000, -0.0016718400000000, -0.0021058800000000 ]  - [   0.0017472200000000,  0.0001716300000000, -0.0065676900000000 ]  - [  -0.0095187300000000,  0.0091700600000000,  0.0079269000000000 ]  - [   0.0091051800000000,  0.0095236300000000,  0.0075349900000000 ]  - [  -0.0008328800000000,  0.0005572900000000, -0.0021271300000000 ]  - [  -0.0011930900000000, -0.0011695700000000,  0.0031298200000000 ]  - [   0.0032151300000000, -0.0003942600000000, -0.0069171700000000 ]  - [   0.0007377800000000,  0.0013989500000000,  0.0028894900000000 ]  - [   0.0013259200000000, -0.0010356700000000,  0.0030094200000000 ]  - [   0.0015248400000000, -0.0005633000000000,  0.0027316300000000 ]  - [   0.0002655300000000,  0.0004216700000000, -0.0012729800000000 ]  - [   0.0001556500000000,  0.0000534300000000,  0.0003299700000000 ]  - [   0.0018175700000000, -0.0008948100000000, -0.0021149800000000 ]  - [  -0.0000608800000000,  0.0000104900000000,  0.0001762100000000 ]  - [   0.0000608800000000, -0.0000104900000000,  0.0001762100000000 ]  - [  -0.0000011000000000, -0.0001493600000000, -0.0001700100000000 ]  - [  -0.0015248400000000,  0.0005633000000000,  0.0027316300000000 ]  - [   0.0005671200000000, -0.0001609500000000, -0.0014170900000000 ]  - [   0.0007066900000000,  0.0006788200000000, -0.0020217000000000 ]  - [   0.0022106300000000,  0.0007843900000000,  0.0023981100000000 ]  - [   0.0000022500000000,  0.0000027800000000, -0.0003097300000000 ]  - [   0.0000011000000000,  0.0001493600000000, -0.0001700100000000 ]  - [  -0.0018175700000000,  0.0008948100000000, -0.0021149800000000 ]  - [  -0.0000022500000000, -0.0000027800000000, -0.0003097300000000 ]  - [  -0.0022106300000000, -0.0007843900000000,  0.0023981100000000 ]  - [  -0.0001556500000000, -0.0000534300000000,  0.0003299700000000 ]  - [  -0.0002655300000000, -0.0004216700000000, -0.0012729800000000 ]  - [  -0.0005671200000000,  0.0001609500000000, -0.0014170900000000 ]  - [  -0.0013259200000000,  0.0010356700000000,  0.0030094200000000 ]  - [  -0.0007066900000000, -0.0006788200000000, -0.0020217000000000 ]  - [  -0.0007377800000000, -0.0013989500000000,  0.0028894900000000 ]  - [  -0.0032151300000000,  0.0003942600000000, -0.0069171700000000 ]  - [   0.0008328800000000, -0.0005572900000000, -0.0021271300000000 ]  - [   0.0005135700000000,  0.0033703200000000, -0.0070527500000000 ]  - [   0.0095187300000000, -0.0091700600000000,  0.0079269000000000 ]  - [  -0.0017472200000000, -0.0001716300000000, -0.0065676900000000 ]  - [   0.0009373100000000, -0.0020569600000000,  0.0024025200000000 ]  - [   0.0002011900000000, -0.0019156700000000, -0.0067171100000000 ]  - [  -0.0002011900000000,  0.0019156700000000, -0.0067171100000000 ]  - [   0.0096588100000000,  0.0150972200000000,  0.0271151700000000 ]  - [  -0.0005135700000000, -0.0033703200000000, -0.0070527500000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0119097600000000,  0.0143693000000000,  0.0009515000000000 ]  - [   0.0119097600000000,  0.0009515000000000,  0.0143693000000000 ]  - [   0.0050615800000000,  0.0009071800000000,  0.0005249900000000 ]  - [   0.0050615800000000,  0.0005249900000000,  0.0009071800000000 ]  - [   0.0112957900000000,  0.0128179500000000,  0.0007101500000000 ]  - [   0.0112957900000000,  0.0007101500000000,  0.0128179500000000 ]  - [   0.0013081700000000,  0.0013650200000000,  0.0007602700000000 ]  - [   0.0013081700000000,  0.0007602700000000,  0.0013650200000000 ]  - [  -0.0160159900000000, -0.0015409000000000,  0.0034569600000000 ]  - [  -0.0160159900000000,  0.0034569600000000, -0.0015409000000000 ]  - [   0.0006147500000000,  0.0014910300000000, -0.0001625400000000 ]  - [   0.0006147500000000, -0.0001625400000000,  0.0014910300000000 ]  - [  -0.1853981700000000,  0.0058736100000000,  0.0058736100000000 ]  - [   0.0151396400000000,  0.0006632900000000, -0.0156664400000000 ]  - [   0.0151396400000000, -0.0156664400000000,  0.0006632900000000 ]  - [   0.0003136300000000,  0.0008333500000000, -0.0012046200000000 ]  - [   0.0003136300000000, -0.0012046200000000,  0.0008333500000000 ]  - [   0.0043348100000000, -0.0003046900000000, -0.0020095500000000 ]  - [   0.0043348100000000, -0.0020095500000000, -0.0003046900000000 ]  - [   0.0086714100000000, -0.0012379300000000, -0.0012379300000000 ]  - [   0.0026379400000000,  0.0007709400000000,  0.0007709400000000 ]  - [  -0.0031580300000000,  0.0125852800000000,  0.0125852800000000 ]  - [   0.0020256400000000,  0.0007912400000000,  0.0007912400000000 ]  - [   0.0000861300000000,  0.0010048800000000, -0.0007711600000000 ]  - [   0.0000861300000000, -0.0007711600000000,  0.0010048800000000 ]  - [   0.0102473800000000, -0.0038504200000000, -0.0119904300000000 ]  - [   0.0102473800000000, -0.0119904300000000, -0.0038504200000000 ]  - [  -0.0058811200000000, -0.0032925700000000,  0.0012417200000000 ]  - [  -0.0058811200000000,  0.0012417200000000, -0.0032925700000000 ]  - [  -0.0035965600000000,  0.0020113600000000,  0.0020113600000000 ]  - [  -0.0091628600000000,  0.0054037300000000,  0.0054037300000000 ]  - [   0.0024181800000000,  0.0005779100000000,  0.0005779100000000 ]  - [   0.0583448500000000,  0.0191241900000000, -0.0394745300000000 ]  - [   0.0583448500000000, -0.0394745300000000,  0.0191241900000000 ]  - [   0.0003613900000000,  0.0019332200000000, -0.0043072300000000 ]  - [   0.0003613900000000, -0.0043072300000000,  0.0019332200000000 ]  - [   0.0119913800000000, -0.0065571600000000, -0.0065571600000000 ]  - [  -0.0050811900000000,  0.0011672800000000, -0.0007096400000000 ]  - [  -0.0050811900000000, -0.0007096400000000,  0.0011672800000000 ]  - [  -0.0007535300000000, -0.0000900900000000, -0.0005195100000000 ]  - [  -0.0007535300000000, -0.0005195100000000, -0.0000900900000000 ]  - [  -0.0037306000000000,  0.0002893700000000,  0.0002893700000000 ]  - [  -0.0019360800000000, -0.0010998600000000,  0.0003178000000000 ]  - [  -0.0019360800000000,  0.0003178000000000, -0.0010998600000000 ]  - [  -0.0043484800000000,  0.0034412700000000, -0.0018034700000000 ]  - [  -0.0043484800000000, -0.0018034700000000,  0.0034412700000000 ]  - [  -0.0055887300000000,  0.0002297700000000, -0.0009788900000000 ]  - [  -0.0055887300000000, -0.0009788900000000,  0.0002297700000000 ]  - [  -0.0019964800000000, -0.0009385200000000,  0.0002325000000000 ]  - [  -0.0019964800000000,  0.0002325000000000, -0.0009385200000000 ]  - [  -0.0019653100000000, -0.0021847500000000,  0.0016227700000000 ]  - [  -0.0019653100000000,  0.0016227700000000, -0.0021847500000000 ]  - [  -0.0048089200000000, -0.0010567400000000, -0.0010567400000000 ]  - [  -0.0003634700000000, -0.0063100100000000, -0.0008507100000000 ]  - [  -0.0003634700000000, -0.0008507100000000, -0.0063100100000000 ]  - [   0.0317429600000000,  0.0104580600000000,  0.0104580600000000 ]  - [  -0.0009968300000000, -0.0004337000000000,  0.0001843700000000 ]  - [  -0.0009968300000000,  0.0001843700000000, -0.0004337000000000 ]  - [  -0.0028641400000000,  0.0019062800000000, -0.0013393200000000 ]  - [  -0.0028641400000000, -0.0013393200000000,  0.0019062800000000 ]  - [  -0.0015527000000000,  0.0000245000000000,  0.0000245000000000 ]  - [   0.0019432400000000, -0.0003290800000000, -0.0003477500000000 ]  - [   0.0019432400000000, -0.0003477500000000, -0.0003290800000000 ]  - [  -0.0030431800000000,  0.0105483200000000, -0.0036052600000000 ]  - [  -0.0030431800000000, -0.0036052600000000,  0.0105483200000000 ]  - [  -0.0015421500000000, -0.0037227900000000, -0.0037227900000000 ]  - [   0.0032683100000000,  0.0003001700000000,  0.0027757900000000 ]  - [   0.0032683100000000,  0.0027757900000000,  0.0003001700000000 ]  - [   0.0019776700000000,  0.0004332200000000, -0.0014700400000000 ]  - [   0.0019776700000000, -0.0014700400000000,  0.0004332200000000 ]  - [   0.0013653000000000, -0.0007263300000000,  0.0004555900000000 ]  - [   0.0013653000000000,  0.0004555900000000, -0.0007263300000000 ]  - [   0.0022103400000000,  0.0014014900000000, -0.0033434800000000 ]  - [   0.0022103400000000, -0.0033434800000000,  0.0014014900000000 ]  - [   0.0004261800000000, -0.0021010600000000,  0.0057082200000000 ]  - [   0.0004261800000000,  0.0057082200000000, -0.0021010600000000 ]  - [   0.0009269300000000, -0.0017701600000000, -0.0017701600000000 ]  - [  -0.0025884800000000, -0.0015498700000000, -0.0011454000000000 ]  - [  -0.0025884800000000, -0.0011454000000000, -0.0015498700000000 ]  - [  -0.0010363000000000, -0.0008692200000000, -0.0008692200000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0118517600000000, -0.0142574300000000, -0.0009954500000000 ]  - [  -0.0118517600000000, -0.0009954500000000, -0.0142574300000000 ]  - [  -0.0050754500000000, -0.0009048000000000, -0.0005328100000000 ]  - [  -0.0050754500000000, -0.0005328100000000, -0.0009048000000000 ]  - [  -0.0112889200000000, -0.0129047800000000, -0.0007829500000000 ]  - [  -0.0112889200000000, -0.0007829500000000, -0.0129047800000000 ]  - [  -0.0012998200000000, -0.0013626400000000, -0.0007337200000000 ]  - [  -0.0012998200000000, -0.0007337200000000, -0.0013626400000000 ]  - [   0.0160526100000000,  0.0015560400000000, -0.0034783400000000 ]  - [   0.0160526100000000, -0.0034783400000000,  0.0015560400000000 ]  - [  -0.0006151900000000, -0.0014960000000000,  0.0001741100000000 ]  - [  -0.0006151900000000,  0.0001741100000000, -0.0014960000000000 ]  - [   0.1818912700000000, -0.0043068000000000, -0.0043068000000000 ]  - [  -0.0151573500000000, -0.0006664700000000,  0.0156356500000000 ]  - [  -0.0151573500000000,  0.0156356500000000, -0.0006664700000000 ]  - [  -0.0003109100000000, -0.0007967500000000,  0.0012056000000000 ]  - [  -0.0003109100000000,  0.0012056000000000, -0.0007967500000000 ]  - [  -0.0042390800000000,  0.0002123400000000,  0.0021082500000000 ]  - [  -0.0042390800000000,  0.0021082500000000,  0.0002123400000000 ]  - [  -0.0087895300000000,  0.0011254100000000,  0.0011254100000000 ]  - [  -0.0026698900000000, -0.0007783500000000, -0.0007783500000000 ]  - [   0.0031427200000000, -0.0124966700000000, -0.0124966700000000 ]  - [  -0.0021303800000000, -0.0006908400000000, -0.0006908400000000 ]  - [  -0.0000811000000000, -0.0010330100000000,  0.0007666600000000 ]  - [  -0.0000811000000000,  0.0007666600000000, -0.0010330100000000 ]  - [  -0.0103024300000000,  0.0038988900000000,  0.0120997800000000 ]  - [  -0.0103024300000000,  0.0120997800000000,  0.0038988900000000 ]  - [   0.0059835000000000,  0.0031899500000000, -0.0011209300000000 ]  - [   0.0059835000000000, -0.0011209300000000,  0.0031899500000000 ]  - [   0.0034975800000000, -0.0021067900000000, -0.0021067900000000 ]  - [   0.0090678500000000, -0.0053979500000000, -0.0053979500000000 ]  - [  -0.0023949500000000, -0.0005646400000000, -0.0005646400000000 ]  - [  -0.0564233400000000, -0.0176904000000000,  0.0372166800000000 ]  - [  -0.0564233400000000,  0.0372166800000000, -0.0176904000000000 ]  - [  -0.0002225600000000, -0.0020682800000000,  0.0042867100000000 ]  - [  -0.0002225600000000,  0.0042867100000000, -0.0020682800000000 ]  - [  -0.0117562700000000,  0.0067196200000000,  0.0067196200000000 ]  - [   0.0049875700000000, -0.0012852200000000,  0.0007366500000000 ]  - [   0.0049875700000000,  0.0007366500000000, -0.0012852200000000 ]  - [   0.0006238200000000,  0.0002207600000000,  0.0004964900000000 ]  - [   0.0006238200000000,  0.0004964900000000,  0.0002207600000000 ]  - [   0.0035950800000000, -0.0001432800000000, -0.0001432800000000 ]  - [   0.0017771200000000,  0.0009671600000000, -0.0004698900000000 ]  - [   0.0017771200000000, -0.0004698900000000,  0.0009671600000000 ]  - [   0.0042081500000000, -0.0032936600000000,  0.0019251300000000 ]  - [   0.0042081500000000,  0.0019251300000000, -0.0032936600000000 ]  - [   0.0057653100000000, -0.0003412400000000,  0.0011249500000000 ]  - [   0.0057653100000000,  0.0011249500000000, -0.0003412400000000 ]  - [   0.0021197600000000,  0.0010914600000000, -0.0003809600000000 ]  - [   0.0021197600000000, -0.0003809600000000,  0.0010914600000000 ]  - [   0.0021024000000000,  0.0022090900000000, -0.0014837200000000 ]  - [   0.0021024000000000, -0.0014837200000000,  0.0022090900000000 ]  - [   0.0048241700000000,  0.0009349800000000,  0.0009349800000000 ]  - [   0.0003242900000000,  0.0063849200000000,  0.0007107900000000 ]  - [   0.0003242900000000,  0.0007107900000000,  0.0063849200000000 ]  - [  -0.0321048900000000, -0.0113227200000000, -0.0113227200000000 ]  - [   0.0011483900000000,  0.0005466300000000, -0.0003339800000000 ]  - [   0.0011483900000000, -0.0003339800000000,  0.0005466300000000 ]  - [   0.0030050300000000, -0.0020523100000000,  0.0013201000000000 ]  - [   0.0030050300000000,  0.0013201000000000, -0.0020523100000000 ]  - [   0.0015658900000000,  0.0001178500000000,  0.0001178500000000 ]  - [  -0.0020828200000000,  0.0001868100000000,  0.0003673800000000 ]  - [  -0.0020828200000000,  0.0003673800000000,  0.0001868100000000 ]  - [   0.0028655000000000, -0.0104374300000000,  0.0035992400000000 ]  - [   0.0028655000000000,  0.0035992400000000, -0.0104374300000000 ]  - [   0.0014206700000000,  0.0038607600000000,  0.0038607600000000 ]  - [  -0.0034368300000000, -0.0004200300000000, -0.0029524300000000 ]  - [  -0.0034368300000000, -0.0029524300000000, -0.0004200300000000 ]  - [  -0.0021430100000000, -0.0002696600000000,  0.0015928000000000 ]  - [  -0.0021430100000000,  0.0015928000000000, -0.0002696600000000 ]  - [  -0.0012196700000000,  0.0006083500000000, -0.0003064200000000 ]  - [  -0.0012196700000000, -0.0003064200000000,  0.0006083500000000 ]  - [  -0.0020779400000000, -0.0012399300000000,  0.0031630000000000 ]  - [  -0.0020779400000000,  0.0031630000000000, -0.0012399300000000 ]  - [  -0.0002976800000000,  0.0021300700000000, -0.0056143900000000 ]  - [  -0.0002976800000000, -0.0056143900000000,  0.0021300700000000 ]  - [  -0.0009021700000000,  0.0016332000000000,  0.0016332000000000 ]  - [   0.0025703700000000,  0.0016838600000000,  0.0009949300000000 ]  - [   0.0025703700000000,  0.0009949300000000,  0.0016838600000000 ]  - [   0.0009269200000000,  0.0007109600000000,  0.0007109600000000 ]- atom:   14  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0162361300000000, -0.0011013300000000,  0.0026457600000000 ]  - [  -0.0059879600000000,  0.0000051800000000, -0.0018034200000000 ]  - [   0.0187554500000000,  0.0203970400000000,  0.0007755500000000 ]  - [   0.0001946500000000, -0.0019889500000000, -0.0007908700000000 ]  - [   0.0038267800000000,  0.0005562900000000, -0.0002640300000000 ]  - [   0.0084952100000000, -0.0000004300000000,  0.0014288300000000 ]  - [   0.0038290700000000, -0.0005655000000000, -0.0002696500000000 ]  - [   0.0024253600000000,  0.0000042900000000,  0.0000001100000000 ]  - [   0.0001915300000000,  0.0019831000000000, -0.0007931000000000 ]  - [   0.0186789300000000, -0.0202187900000000,  0.0007334100000000 ]  - [  -0.0162825100000000,  0.0010683300000000,  0.0027123000000000 ]  - [  -0.0015432400000000,  0.0000000100000000,  0.0001190300000000 ]  - [   0.0150536600000000,  0.0126010700000000, -0.0155400100000000 ]  - [  -0.1630245100000000, -0.0023904100000000, -0.0663066100000000 ]  - [  -0.0043744200000000,  0.0017167300000000, -0.0002913400000000 ]  - [  -0.0046910000000000,  0.0000049900000000,  0.0000013100000000 ]  - [  -0.0043769700000000, -0.0017219600000000, -0.0002660800000000 ]  - [   0.0003582400000000,  0.0007233400000000,  0.0012536100000000 ]  - [   0.0152450900000000, -0.0124794200000000, -0.0157609800000000 ]  - [   0.0102361400000000, -0.0054468900000000,  0.0120299400000000 ]  - [   0.0011250100000000, -0.0042061700000000,  0.0017261300000000 ]  - [   0.0011531300000000,  0.0041815900000000,  0.0017180600000000 ]  - [   0.0000325200000000,  0.0006185700000000, -0.0007186500000000 ]  - [   0.0013285600000000, -0.0000070200000000, -0.0002045500000000 ]  - [   0.0058219200000000,  0.0002381700000000, -0.0002037900000000 ]  - [   0.0066563300000000,  0.0000137300000000, -0.0000011700000000 ]  - [   0.0058239900000000, -0.0002314700000000, -0.0001806000000000 ]  - [   0.0103084000000000,  0.0053531100000000,  0.0120581600000000 ]  - [   0.0001351200000000, -0.0005223100000000, -0.0008167400000000 ]  - [   0.0002657800000000, -0.0008247200000000,  0.0011579800000000 ]  - [   0.0002173800000000, -0.0030949100000000,  0.0002348100000000 ]  - [   0.0002375900000000,  0.0030975500000000,  0.0002359500000000 ]  - [   0.0108054700000000, -0.0089805500000000,  0.0023935300000000 ]  - [   0.0022604600000000, -0.0040713600000000,  0.0031654100000000 ]  - [   0.0029445800000000, -0.0011474400000000, -0.0006927800000000 ]  - [   0.0041175700000000,  0.0040856200000000,  0.0011653800000000 ]  - [   0.0023082700000000,  0.0021966100000000,  0.0030306000000000 ]  - [   0.0027983000000000,  0.0010073400000000, -0.0006919400000000 ]  - [   0.0514775700000000,  0.0508344800000000,  0.0328394500000000 ]  - [   0.0008366800000000,  0.0007509000000000, -0.0001242200000000 ]  - [   0.0039930400000000, -0.0041090000000000,  0.0013046900000000 ]  - [  -0.0000049100000000, -0.0008582400000000, -0.0036006100000000 ]  - [   0.0009878000000000, -0.0030515800000000, -0.0006645000000000 ]  - [   0.0021015200000000,  0.0039207000000000,  0.0030509500000000 ]  - [   0.0009551500000000, -0.0006849500000000,  0.0003491900000000 ]  - [   0.0114996100000000,  0.0095246700000000,  0.0017236300000000 ]  - [  -0.0044634500000000,  0.0003429700000000, -0.0038199800000000 ]  - [  -0.0053133900000000, -0.0013969800000000, -0.0018636200000000 ]  - [  -0.0010148700000000,  0.0006325600000000, -0.0007755600000000 ]  - [  -0.0038438600000000,  0.0036694600000000, -0.0007193600000000 ]  - [  -0.0009637400000000,  0.0002922400000000,  0.0003244600000000 ]  - [  -0.0064406100000000, -0.0005075200000000,  0.0014686900000000 ]  - [  -0.0031342100000000,  0.0007418100000000, -0.0000551500000000 ]  - [  -0.0012777100000000, -0.0009327200000000,  0.0000482200000000 ]  - [  -0.0031464600000000, -0.0008756000000000,  0.0000891900000000 ]  - [  -0.0039481200000000, -0.0038089700000000, -0.0008874000000000 ]  - [  -0.0005531200000000,  0.0002578300000000,  0.0004703300000000 ]  - [  -0.0015312000000000, -0.0009090400000000,  0.0013572700000000 ]  - [  -0.0037147600000000, -0.0012338000000000, -0.0025135900000000 ]  - [  -0.0033887400000000,  0.0018901300000000,  0.0017125400000000 ]  - [  -0.0012541200000000,  0.0010745300000000,  0.0001855100000000 ]  - [  -0.0038564900000000,  0.0010864400000000, -0.0024941100000000 ]  - [  -0.0011113300000000, -0.0002773500000000,  0.0001803300000000 ]  - [  -0.0065780700000000,  0.0006414900000000,  0.0014444000000000 ]  - [  -0.0035391300000000, -0.0019112700000000,  0.0018568600000000 ]  - [  -0.0011378200000000, -0.0004824500000000, -0.0006270000000000 ]  - [  -0.0046164500000000, -0.0004621000000000, -0.0039718900000000 ]  - [  -0.0016887300000000,  0.0007528800000000,  0.0012378600000000 ]  - [  -0.0054703000000000,  0.0015459100000000, -0.0017245300000000 ]  - [  -0.0007109200000000, -0.0001349900000000,  0.0006276900000000 ]  - [   0.0011402000000000,  0.0029424600000000, -0.0005058700000000 ]  - [   0.0011094800000000,  0.0008439500000000,  0.0002238900000000 ]  - [   0.0001110400000000,  0.0009971000000000, -0.0037617600000000 ]  - [   0.0015714700000000,  0.0000806600000000, -0.0003805500000000 ]  - [   0.0506870100000000, -0.0489999100000000,  0.0314945800000000 ]  - [   0.0009790400000000, -0.0006018000000000, -0.0001144100000000 ]  - [   0.0011998900000000,  0.0008511600000000,  0.0005644300000000 ]  - [   0.0022968500000000, -0.0020606600000000,  0.0028874600000000 ]  - [   0.0011871000000000, -0.0009959900000000,  0.0007071000000000 ]  - [   0.0014553500000000, -0.0002324400000000, -0.0005341500000000 ]- atom:   14  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0035336900000000,  0.0084224900000000,  0.0150242900000000 ]  - [   0.0000000000000000, -0.0023835600000000,  0.0000000000000000 ]  - [   0.0150242900000000,  0.0084224900000000, -0.0035336900000000 ]  - [  -0.0012465400000000, -0.0000581000000000, -0.0000847300000000 ]  - [  -0.0000847300000000, -0.0000581000000000, -0.0012465400000000 ]  - [   0.0000000000000000, -0.0023835600000000,  0.0000000000000000 ]  - [   0.0000847300000000, -0.0000581000000000,  0.0012465400000000 ]  - [   0.0000000000000000,  0.0025323700000000,  0.0000000000000000 ]  - [   0.0012465400000000, -0.0000581000000000,  0.0000847300000000 ]  - [  -0.0150242900000000,  0.0084224900000000,  0.0035336900000000 ]  - [   0.0035336900000000,  0.0084224900000000, -0.0150242900000000 ]  - [   0.0000000000000000,  0.0025323700000000,  0.0000000000000000 ]  - [   0.0006379100000000, -0.0030606000000000, -0.0006379100000000 ]  - [   0.0000000000000000, -0.2463748700000000,  0.0000000000000000 ]  - [  -0.0002857300000000,  0.0011600000000000, -0.0043045000000000 ]  - [   0.0000000000000000,  0.0065221000000000,  0.0000000000000000 ]  - [   0.0002857300000000,  0.0011600000000000,  0.0043045000000000 ]  - [   0.0008615500000000,  0.0026015800000000,  0.0008615500000000 ]  - [  -0.0006379100000000, -0.0030606000000000,  0.0006379100000000 ]  - [   0.0037930800000000, -0.0091340500000000,  0.0037930800000000 ]  - [  -0.0043045000000000,  0.0011600000000000, -0.0002857300000000 ]  - [   0.0043045000000000,  0.0011600000000000,  0.0002857300000000 ]  - [   0.0009813500000000,  0.0024469300000000, -0.0009813500000000 ]  - [   0.0000000000000000,  0.0004124300000000,  0.0000000000000000 ]  - [  -0.0001954200000000,  0.0002189100000000, -0.0000117900000000 ]  - [   0.0000000000000000, -0.0008564300000000,  0.0000000000000000 ]  - [   0.0001954200000000,  0.0002189100000000,  0.0000117900000000 ]  - [  -0.0037930800000000, -0.0091340500000000, -0.0037930800000000 ]  - [  -0.0009813500000000,  0.0024469300000000,  0.0009813500000000 ]  - [  -0.0008615500000000,  0.0026015800000000, -0.0008615500000000 ]  - [  -0.0000117900000000,  0.0002189100000000, -0.0001954200000000 ]  - [   0.0000117900000000,  0.0002189100000000,  0.0001954200000000 ]  - [  -0.0122010100000000,  0.0292611700000000,  0.0122010100000000 ]  - [  -0.0007750500000000,  0.0011782700000000,  0.0006062100000000 ]  - [  -0.0003664400000000,  0.0006217300000000, -0.0008554000000000 ]  - [   0.0017933200000000, -0.0053545900000000, -0.0017933200000000 ]  - [   0.0008646100000000,  0.0006421800000000, -0.0004302400000000 ]  - [   0.0003664400000000,  0.0006217300000000,  0.0008554000000000 ]  - [   0.0476741100000000,  0.0844687400000000,  0.0476741100000000 ]  - [   0.0009610600000000, -0.0010502200000000, -0.0013491700000000 ]  - [  -0.0017933200000000, -0.0053545900000000,  0.0017933200000000 ]  - [  -0.0013541600000000,  0.0027657200000000, -0.0013296400000000 ]  - [  -0.0012215900000000, -0.0015607400000000, -0.0012215900000000 ]  - [   0.0007750500000000,  0.0011782700000000, -0.0006062100000000 ]  - [   0.0012897900000000, -0.0016744000000000,  0.0007336000000000 ]  - [   0.0122010100000000,  0.0292611700000000, -0.0122010100000000 ]  - [   0.0000602800000000,  0.0006021000000000,  0.0000602800000000 ]  - [  -0.0013296400000000,  0.0027657200000000, -0.0013541600000000 ]  - [   0.0007336000000000, -0.0016744000000000,  0.0012897900000000 ]  - [   0.0006062100000000,  0.0011782700000000, -0.0007750500000000 ]  - [   0.0003049800000000, -0.0004845100000000,  0.0003049800000000 ]  - [  -0.0004302400000000,  0.0006421800000000,  0.0008646100000000 ]  - [   0.0008554000000000,  0.0006217300000000,  0.0003664400000000 ]  - [  -0.0013491700000000, -0.0010502200000000,  0.0009610600000000 ]  - [  -0.0008554000000000,  0.0006217300000000, -0.0003664400000000 ]  - [  -0.0006062100000000,  0.0011782700000000,  0.0007750500000000 ]  - [  -0.0003068600000000, -0.0004597200000000,  0.0003068600000000 ]  - [  -0.0001396200000000, -0.0013103700000000,  0.0008166400000000 ]  - [  -0.0010021800000000, -0.0010235700000000, -0.0010259200000000 ]  - [  -0.0000084100000000,  0.0008879900000000,  0.0000084100000000 ]  - [   0.0013491700000000, -0.0010502200000000, -0.0009610600000000 ]  - [   0.0010021800000000, -0.0010235700000000,  0.0010259200000000 ]  - [  -0.0003049800000000, -0.0004845100000000, -0.0003049800000000 ]  - [   0.0004302400000000,  0.0006421800000000, -0.0008646100000000 ]  - [   0.0000084100000000,  0.0008879900000000, -0.0000084100000000 ]  - [  -0.0007336000000000, -0.0016744000000000, -0.0012897900000000 ]  - [  -0.0000602800000000,  0.0006021000000000, -0.0000602800000000 ]  - [   0.0001396200000000, -0.0013103700000000, -0.0008166400000000 ]  - [   0.0013296400000000,  0.0027657200000000,  0.0013541600000000 ]  - [   0.0003068600000000, -0.0004597200000000, -0.0003068600000000 ]  - [   0.0012215900000000, -0.0015607400000000,  0.0012215900000000 ]  - [  -0.0012897900000000, -0.0016744000000000, -0.0007336000000000 ]  - [   0.0013541600000000,  0.0027657200000000,  0.0013296400000000 ]  - [   0.0008166400000000, -0.0013103700000000, -0.0001396200000000 ]  - [  -0.0476741100000000,  0.0844687400000000, -0.0476741100000000 ]  - [  -0.0009610600000000, -0.0010502200000000,  0.0013491700000000 ]  - [   0.0010259200000000, -0.0010235700000000,  0.0010021800000000 ]  - [  -0.0008646100000000,  0.0006421800000000,  0.0004302400000000 ]  - [  -0.0010259200000000, -0.0010235700000000, -0.0010021800000000 ]  - [  -0.0008166400000000, -0.0013103700000000,  0.0001396200000000 ]- atom:   14  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0035598600000000, -0.0084443800000000, -0.0149181500000000 ]  - [   0.0000000000000000,  0.0024063100000000,  0.0000000000000000 ]  - [  -0.0149181500000000, -0.0084443800000000,  0.0035598600000000 ]  - [   0.0012572300000000,  0.0000706400000000,  0.0000919200000000 ]  - [   0.0000919200000000,  0.0000706400000000,  0.0012572300000000 ]  - [   0.0000000000000000,  0.0024063100000000,  0.0000000000000000 ]  - [  -0.0000919200000000,  0.0000706400000000, -0.0012572300000000 ]  - [   0.0000000000000000, -0.0025507200000000,  0.0000000000000000 ]  - [  -0.0012572300000000,  0.0000706400000000, -0.0000919200000000 ]  - [   0.0149181500000000, -0.0084443800000000, -0.0035598600000000 ]  - [  -0.0035598600000000, -0.0084443800000000,  0.0149181500000000 ]  - [   0.0000000000000000, -0.0025507200000000,  0.0000000000000000 ]  - [  -0.0006944900000000,  0.0032411700000000,  0.0006944900000000 ]  - [   0.0000000000000000,  0.2417475400000000,  0.0000000000000000 ]  - [   0.0002729300000000, -0.0011186400000000,  0.0042956500000000 ]  - [   0.0000000000000000, -0.0064480100000000,  0.0000000000000000 ]  - [  -0.0002729300000000, -0.0011186400000000, -0.0042956500000000 ]  - [  -0.0007666900000000, -0.0027065700000000, -0.0007666900000000 ]  - [   0.0006944900000000,  0.0032411700000000, -0.0006944900000000 ]  - [  -0.0039571200000000,  0.0090955100000000, -0.0039571200000000 ]  - [   0.0042956500000000, -0.0011186400000000,  0.0002729300000000 ]  - [  -0.0042956500000000, -0.0011186400000000, -0.0002729300000000 ]  - [  -0.0010594400000000, -0.0023630200000000,  0.0010594400000000 ]  - [   0.0000000000000000, -0.0004336600000000,  0.0000000000000000 ]  - [   0.0001869100000000, -0.0002357100000000, -0.0000061500000000 ]  - [   0.0000000000000000,  0.0008881000000000,  0.0000000000000000 ]  - [  -0.0001869100000000, -0.0002357100000000,  0.0000061500000000 ]  - [   0.0039571200000000,  0.0090955100000000,  0.0039571200000000 ]  - [   0.0010594400000000, -0.0023630200000000, -0.0010594400000000 ]  - [   0.0007666900000000, -0.0027065700000000,  0.0007666900000000 ]  - [  -0.0000061500000000, -0.0002357100000000,  0.0001869100000000 ]  - [   0.0000061500000000, -0.0002357100000000, -0.0001869100000000 ]  - [   0.0120667400000000, -0.0291445800000000, -0.0120667400000000 ]  - [   0.0009456700000000, -0.0013609200000000, -0.0005027300000000 ]  - [   0.0005251100000000, -0.0007963300000000,  0.0008836100000000 ]  - [  -0.0016001200000000,  0.0053135900000000,  0.0016001200000000 ]  - [  -0.0008709800000000, -0.0004698300000000,  0.0006141900000000 ]  - [  -0.0005251100000000, -0.0007963300000000, -0.0008836100000000 ]  - [  -0.0454778500000000, -0.0822785200000000, -0.0454778500000000 ]  - [  -0.0011257600000000,  0.0012117200000000,  0.0013597700000000 ]  - [   0.0016001200000000,  0.0053135900000000, -0.0016001200000000 ]  - [   0.0012578400000000, -0.0026251900000000,  0.0014918700000000 ]  - [   0.0010485000000000,  0.0014833700000000,  0.0010485000000000 ]  - [  -0.0009456700000000, -0.0013609200000000,  0.0005027300000000 ]  - [  -0.0014507100000000,  0.0018383500000000, -0.0006458700000000 ]  - [  -0.0120667400000000, -0.0291445800000000,  0.0120667400000000 ]  - [   0.0000918600000000, -0.0007119000000000,  0.0000918600000000 ]  - [   0.0014918700000000, -0.0026251900000000,  0.0012578400000000 ]  - [  -0.0006458700000000,  0.0018383500000000, -0.0014507100000000 ]  - [  -0.0005027300000000, -0.0013609200000000,  0.0009456700000000 ]  - [  -0.0001435400000000,  0.0004756100000000, -0.0001435400000000 ]  - [   0.0006141900000000, -0.0004698300000000, -0.0008709800000000 ]  - [  -0.0008836100000000, -0.0007963300000000, -0.0005251100000000 ]  - [   0.0013597700000000,  0.0012117200000000, -0.0011257600000000 ]  - [   0.0008836100000000, -0.0007963300000000,  0.0005251100000000 ]  - [   0.0005027300000000, -0.0013609200000000, -0.0009456700000000 ]  - [   0.0004563100000000,  0.0005572600000000, -0.0004563100000000 ]  - [   0.0002874400000000,  0.0011680200000000, -0.0007203100000000 ]  - [   0.0011638000000000,  0.0008687800000000,  0.0010313500000000 ]  - [   0.0001816700000000, -0.0009075200000000, -0.0001816700000000 ]  - [  -0.0013597700000000,  0.0012117200000000,  0.0011257600000000 ]  - [  -0.0011638000000000,  0.0008687800000000, -0.0010313500000000 ]  - [   0.0001435400000000,  0.0004756100000000,  0.0001435400000000 ]  - [  -0.0006141900000000, -0.0004698300000000,  0.0008709800000000 ]  - [  -0.0001816700000000, -0.0009075200000000,  0.0001816700000000 ]  - [   0.0006458700000000,  0.0018383500000000,  0.0014507100000000 ]  - [  -0.0000918600000000, -0.0007119000000000, -0.0000918600000000 ]  - [  -0.0002874400000000,  0.0011680200000000,  0.0007203100000000 ]  - [  -0.0014918700000000, -0.0026251900000000, -0.0012578400000000 ]  - [  -0.0004563100000000,  0.0005572600000000,  0.0004563100000000 ]  - [  -0.0010485000000000,  0.0014833700000000, -0.0010485000000000 ]  - [   0.0014507100000000,  0.0018383500000000,  0.0006458700000000 ]  - [  -0.0012578400000000, -0.0026251900000000, -0.0014918700000000 ]  - [  -0.0007203100000000,  0.0011680200000000,  0.0002874400000000 ]  - [   0.0454778500000000, -0.0822785200000000,  0.0454778500000000 ]  - [   0.0011257600000000,  0.0012117200000000, -0.0013597700000000 ]  - [  -0.0010313500000000,  0.0008687800000000, -0.0011638000000000 ]  - [   0.0008709800000000, -0.0004698300000000, -0.0006141900000000 ]  - [   0.0010313500000000,  0.0008687800000000,  0.0011638000000000 ]  - [   0.0007203100000000,  0.0011680200000000, -0.0002874400000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0049830700000000, -0.0071321700000000, -0.0090795000000000 ]  - [   0.0018519900000000,  0.0011091400000000,  0.0002365400000000 ]  - [  -0.0069902600000000, -0.0045571700000000,  0.0011762500000000 ]  - [  -0.0013419400000000,  0.0000228600000000,  0.0004315100000000 ]  - [  -0.0039309600000000, -0.0030066600000000, -0.0006548100000000 ]  - [  -0.0050720500000000, -0.0012389600000000, -0.0038146200000000 ]  - [  -0.0010067200000000, -0.0002146800000000,  0.0004962800000000 ]  - [  -0.0011874400000000,  0.0006331500000000, -0.0006907400000000 ]  - [   0.0028033900000000, -0.0020572800000000,  0.0022215300000000 ]  - [   0.0076470800000000,  0.0048067700000000, -0.0065727900000000 ]  - [   0.0009918800000000, -0.0029285500000000,  0.0032925900000000 ]  - [   0.0011203600000000, -0.0007528800000000, -0.0000429300000000 ]  - [   0.0565326500000000,  0.0102926500000000, -0.0372989600000000 ]  - [   0.0115535900000000, -0.0123509900000000,  0.0016193300000000 ]  - [   0.0021939900000000, -0.0008088100000000, -0.0008772400000000 ]  - [   0.0010764300000000, -0.0011220300000000,  0.0005824600000000 ]  - [   0.0010383500000000,  0.0007005100000000,  0.0013873900000000 ]  - [  -0.0018070800000000, -0.0010641500000000, -0.0003375000000000 ]  - [  -0.0042266400000000,  0.0038327400000000,  0.0033222600000000 ]  - [  -0.0057348900000000,  0.0032203300000000, -0.0029258300000000 ]  - [  -0.0017693500000000,  0.0005586200000000, -0.0007626500000000 ]  - [   0.0012774000000000, -0.0037353800000000, -0.0039923200000000 ]  - [  -0.0011159300000000, -0.0007468200000000,  0.0003050300000000 ]  - [  -0.0006334200000000, -0.0003945300000000,  0.0005457100000000 ]  - [  -0.0016133800000000, -0.0004644100000000, -0.0002254200000000 ]  - [  -0.0045422200000000,  0.0000366600000000,  0.0038917500000000 ]  - [  -0.0053882700000000,  0.0036648900000000,  0.0014109500000000 ]  - [   0.0033905900000000,  0.0012705100000000,  0.0010984700000000 ]  - [   0.0021001500000000, -0.0001671100000000,  0.0003040900000000 ]  - [   0.0012479600000000, -0.0003485900000000, -0.0004403600000000 ]  - [   0.0026615300000000,  0.0009365100000000,  0.0014770600000000 ]  - [  -0.0012242000000000, -0.0001575700000000, -0.0008391200000000 ]  - [  -0.1096929800000000, -0.0242096500000000,  0.0614743100000000 ]  - [  -0.0080789300000000,  0.0019306100000000,  0.0019606000000000 ]  - [  -0.0008151600000000, -0.0001428000000000, -0.0009477000000000 ]  - [  -0.0033828900000000,  0.0032520300000000, -0.0013539500000000 ]  - [  -0.0057683100000000, -0.0002715200000000,  0.0022981200000000 ]  - [  -0.0011227800000000, -0.0005392600000000, -0.0000536100000000 ]  - [   0.0257206000000000,  0.0056857600000000, -0.0065381500000000 ]  - [   0.0001583100000000, -0.0001543700000000, -0.0006338300000000 ]  - [  -0.0006143000000000,  0.0019436200000000, -0.0001180700000000 ]  - [   0.0014283500000000, -0.0004527600000000,  0.0016795000000000 ]  - [   0.0009557500000000,  0.0018976300000000, -0.0000517700000000 ]  - [  -0.0000696100000000, -0.0009186900000000, -0.0008793200000000 ]  - [  -0.0000732300000000,  0.0005183700000000, -0.0000803400000000 ]  - [   0.0085099100000000,  0.0057277900000000, -0.0085612800000000 ]  - [   0.0032003800000000, -0.0003826600000000,  0.0020466500000000 ]  - [   0.0050607400000000,  0.0012956800000000,  0.0003874300000000 ]  - [   0.0011819200000000,  0.0000828500000000,  0.0003766500000000 ]  - [   0.0014566100000000, -0.0008435900000000,  0.0005055500000000 ]  - [   0.0010282900000000,  0.0008322700000000, -0.0004764700000000 ]  - [   0.0026486300000000, -0.0004337600000000,  0.0002021900000000 ]  - [   0.0025625400000000,  0.0001697900000000,  0.0003759900000000 ]  - [  -0.0001223900000000,  0.0015773400000000,  0.0005505300000000 ]  - [   0.0000482500000000,  0.0002405900000000,  0.0018583700000000 ]  - [   0.0038217800000000,  0.0068131500000000,  0.0019249900000000 ]  - [   0.0009757900000000,  0.0002995500000000, -0.0008004000000000 ]  - [   0.0014542800000000,  0.0002273100000000, -0.0004653500000000 ]  - [   0.0030372400000000, -0.0009261400000000,  0.0020124200000000 ]  - [   0.0017843100000000,  0.0005071000000000, -0.0014420400000000 ]  - [   0.0011635700000000, -0.0003251500000000, -0.0000717600000000 ]  - [   0.0022861600000000, -0.0008732300000000,  0.0019204600000000 ]  - [   0.0001036100000000,  0.0005497000000000, -0.0005809600000000 ]  - [   0.0146623600000000, -0.0043054400000000, -0.0007140500000000 ]  - [   0.0051857700000000,  0.0069182100000000, -0.0054302300000000 ]  - [   0.0002644800000000,  0.0008419700000000,  0.0009130700000000 ]  - [  -0.0015911800000000, -0.0001345200000000, -0.0020396400000000 ]  - [  -0.0006289000000000, -0.0016706800000000, -0.0002232200000000 ]  - [  -0.0006339300000000,  0.0003383200000000,  0.0014680300000000 ]  - [  -0.0005421800000000,  0.0008215800000000,  0.0001058800000000 ]  - [  -0.0015189400000000, -0.0000017900000000,  0.0000477500000000 ]  - [  -0.0009996400000000, -0.0003789900000000, -0.0005205600000000 ]  - [  -0.0010260900000000,  0.0000697000000000, -0.0013071900000000 ]  - [  -0.0015725800000000,  0.0004449800000000,  0.0003372900000000 ]  - [  -0.0058745900000000,  0.0032435200000000, -0.0069690500000000 ]  - [  -0.0006787300000000,  0.0007015000000000,  0.0001956300000000 ]  - [  -0.0017027800000000, -0.0000555100000000, -0.0008915900000000 ]  - [  -0.0000729400000000, -0.0000584700000000, -0.0009816800000000 ]  - [   0.0027729400000000,  0.0017697100000000,  0.0040203100000000 ]  - [   0.0002248300000000,  0.0005417500000000,  0.0002260700000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0047349500000000,  0.0073554600000000,  0.0091940600000000 ]  - [  -0.0018234300000000, -0.0011189800000000, -0.0002331800000000 ]  - [   0.0069840900000000,  0.0045505000000000, -0.0011418800000000 ]  - [   0.0013405000000000, -0.0000198800000000, -0.0004382500000000 ]  - [   0.0039318400000000,  0.0030069600000000,  0.0006445400000000 ]  - [   0.0050803300000000,  0.0012589200000000,  0.0038321400000000 ]  - [   0.0010077300000000,  0.0002155300000000, -0.0004864800000000 ]  - [   0.0011768700000000, -0.0006314700000000,  0.0007018500000000 ]  - [  -0.0028183400000000,  0.0020435800000000, -0.0022188100000000 ]  - [  -0.0078147800000000, -0.0046469500000000,  0.0064419100000000 ]  - [  -0.0009867900000000,  0.0029400900000000, -0.0032951500000000 ]  - [  -0.0011189500000000,  0.0007597800000000,  0.0000370500000000 ]  - [  -0.0582374700000000, -0.0114947900000000,  0.0393986800000000 ]  - [  -0.0107480600000000,  0.0119388800000000, -0.0024960500000000 ]  - [  -0.0021641500000000,  0.0007914000000000,  0.0008508300000000 ]  - [  -0.0010539200000000,  0.0011400900000000, -0.0005854000000000 ]  - [  -0.0010343200000000, -0.0006969300000000, -0.0013606000000000 ]  - [   0.0019107600000000,  0.0009578300000000,  0.0004300000000000 ]  - [   0.0043372300000000, -0.0037425900000000, -0.0034210400000000 ]  - [   0.0056128700000000, -0.0032920400000000,  0.0027988900000000 ]  - [   0.0017512200000000, -0.0005560300000000,  0.0007701900000000 ]  - [  -0.0012694600000000,  0.0037391300000000,  0.0040018800000000 ]  - [   0.0010219500000000,  0.0008433400000000, -0.0002018000000000 ]  - [   0.0006292100000000,  0.0003763000000000, -0.0005483800000000 ]  - [   0.0016053100000000,  0.0004513300000000,  0.0002075800000000 ]  - [   0.0045413300000000, -0.0000007200000000, -0.0039053500000000 ]  - [   0.0053913600000000, -0.0036937300000000, -0.0014180000000000 ]  - [  -0.0033079100000000, -0.0013782600000000, -0.0009970400000000 ]  - [  -0.0020130500000000,  0.0002732100000000, -0.0004062200000000 ]  - [  -0.0013487300000000,  0.0002563400000000,  0.0003405600000000 ]  - [  -0.0027212400000000, -0.0009211600000000, -0.0014633500000000 ]  - [   0.0012488200000000,  0.0001555900000000,  0.0008290400000000 ]  - [   0.1104855600000000,  0.0255394900000000, -0.0625184000000000 ]  - [   0.0082715100000000, -0.0020494900000000, -0.0018968100000000 ]  - [   0.0009694100000000, -0.0000103200000000,  0.0009450100000000 ]  - [   0.0034831800000000, -0.0033203400000000,  0.0012334100000000 ]  - [   0.0057734100000000,  0.0003887000000000, -0.0022660500000000 ]  - [   0.0009711200000000,  0.0004014200000000,  0.0000680500000000 ]  - [  -0.0253213500000000, -0.0055250600000000,  0.0062630100000000 ]  - [  -0.0003082100000000,  0.0003008200000000,  0.0006299400000000 ]  - [   0.0004614300000000, -0.0019460700000000,  0.0002512100000000 ]  - [  -0.0015455400000000,  0.0006059900000000, -0.0015114700000000 ]  - [  -0.0011244400000000, -0.0020142200000000, -0.0001113200000000 ]  - [  -0.0000892800000000,  0.0007622300000000,  0.0007602100000000 ]  - [  -0.0000929000000000, -0.0003518200000000,  0.0002023900000000 ]  - [  -0.0086676700000000, -0.0056202700000000,  0.0087236900000000 ]  - [  -0.0030334800000000,  0.0002598900000000, -0.0018780900000000 ]  - [  -0.0049087300000000, -0.0011508100000000, -0.0004926200000000 ]  - [  -0.0010664100000000,  0.0000732100000000, -0.0005332300000000 ]  - [  -0.0013535300000000,  0.0006984700000000, -0.0003643000000000 ]  - [  -0.0008783100000000, -0.0008261300000000,  0.0006243300000000 ]  - [  -0.0025028000000000,  0.0005754300000000, -0.0002097000000000 ]  - [  -0.0025613700000000, -0.0003212200000000, -0.0005274400000000 ]  - [   0.0001146100000000, -0.0014457600000000, -0.0006982500000000 ]  - [  -0.0000511800000000, -0.0003891400000000, -0.0017242100000000 ]  - [  -0.0039840000000000, -0.0070275400000000, -0.0020559200000000 ]  - [  -0.0008180000000000, -0.0001841300000000,  0.0006430600000000 ]  - [  -0.0012974000000000, -0.0003720700000000,  0.0005665800000000 ]  - [  -0.0029008000000000,  0.0008062300000000, -0.0020284500000000 ]  - [  -0.0016335600000000, -0.0005133000000000,  0.0013020100000000 ]  - [  -0.0011525700000000,  0.0004676800000000,  0.0002132300000000 ]  - [  -0.0024040800000000,  0.0007168800000000, -0.0018976700000000 ]  - [  -0.0002443700000000, -0.0005385200000000,  0.0004355400000000 ]  - [  -0.0150998500000000,  0.0045347200000000,  0.0006858400000000 ]  - [  -0.0053360700000000, -0.0069450400000000,  0.0055836600000000 ]  - [  -0.0003727100000000, -0.0006986400000000, -0.0007684300000000 ]  - [   0.0014441000000000,  0.0000238400000000,  0.0018864100000000 ]  - [   0.0004844100000000,  0.0015201600000000,  0.0001008300000000 ]  - [   0.0004773700000000, -0.0001767200000000, -0.0013529100000000 ]  - [   0.0003889300000000, -0.0006996100000000,  0.0000523200000000 ]  - [   0.0016692300000000, -0.0001137400000000,  0.0001073200000000 ]  - [   0.0011476300000000,  0.0005307600000000,  0.0004050700000000 ]  - [   0.0011420000000000,  0.0000877600000000,  0.0011393500000000 ]  - [   0.0016886900000000, -0.0006129600000000, -0.0001783700000000 ]  - [   0.0059310400000000, -0.0032428900000000,  0.0071630100000000 ]  - [   0.0008090900000000, -0.0005529900000000, -0.0001827200000000 ]  - [   0.0017121900000000, -0.0000971400000000,  0.0007472300000000 ]  - [   0.0000573000000000,  0.0002033400000000,  0.0008356700000000 ]  - [  -0.0027683700000000, -0.0019148800000000, -0.0038603800000000 ]  - [  -0.0003411000000000, -0.0006969400000000, -0.0003738400000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0080270100000000,  0.0001156000000000, -0.0094518800000000 ]  - [   0.0005880000000000,  0.0030628800000000,  0.0007993700000000 ]  - [  -0.0004512300000000,  0.0012990000000000,  0.0019528200000000 ]  - [   0.0002050500000000, -0.0005671100000000, -0.0000576500000000 ]  - [  -0.0017342200000000, -0.0020609700000000,  0.0014550100000000 ]  - [  -0.0007993700000000,  0.0030628800000000, -0.0005880000000000 ]  - [   0.0000576500000000, -0.0005671100000000, -0.0002050500000000 ]  - [   0.0005387500000000, -0.0020757400000000, -0.0001727900000000 ]  - [  -0.0014550100000000, -0.0020609700000000,  0.0017342200000000 ]  - [   0.0094518800000000,  0.0001156000000000,  0.0080270100000000 ]  - [  -0.0019528200000000,  0.0012990000000000,  0.0004512300000000 ]  - [   0.0001727900000000, -0.0020757400000000, -0.0005387500000000 ]  - [   0.0180559600000000,  0.0318724900000000, -0.0180559600000000 ]  - [  -0.0091524400000000,  0.0292437600000000,  0.0091524400000000 ]  - [   0.0030981400000000, -0.0038869400000000,  0.0005306100000000 ]  - [  -0.0030043600000000, -0.0014870100000000,  0.0030043600000000 ]  - [  -0.0002853300000000, -0.0010819700000000, -0.0006667500000000 ]  - [  -0.0010118200000000, -0.0020902000000000, -0.0006402100000000 ]  - [   0.0019010600000000, -0.0014559600000000, -0.0019010600000000 ]  - [  -0.0003135500000000,  0.0021113500000000, -0.0003861900000000 ]  - [   0.0006667500000000, -0.0010819700000000,  0.0002853300000000 ]  - [  -0.0005306100000000, -0.0038869400000000, -0.0030981400000000 ]  - [  -0.0005203400000000, -0.0009546500000000,  0.0005203400000000 ]  - [   0.0001992800000000, -0.0005295900000000, -0.0001992800000000 ]  - [   0.0013066900000000,  0.0015200600000000,  0.0007481300000000 ]  - [  -0.0004109700000000,  0.0006862400000000,  0.0004109700000000 ]  - [   0.0018008300000000,  0.0000607300000000, -0.0012891200000000 ]  - [   0.0003861900000000,  0.0021113500000000,  0.0003135500000000 ]  - [   0.0015686200000000, -0.0036400600000000, -0.0015686200000000 ]  - [   0.0006402100000000, -0.0020902000000000,  0.0010118200000000 ]  - [   0.0012891200000000,  0.0000607300000000, -0.0018008300000000 ]  - [  -0.0007481300000000,  0.0015200600000000, -0.0013066900000000 ]  - [  -0.0245518700000000, -0.0675601400000000,  0.0245518700000000 ]  - [   0.0019974700000000,  0.0038036500000000, -0.0074698800000000 ]  - [  -0.0001474200000000,  0.0000012100000000, -0.0008870600000000 ]  - [   0.0045928600000000,  0.0160003700000000, -0.0045928600000000 ]  - [  -0.0011238500000000, -0.0024224600000000,  0.0055941900000000 ]  - [  -0.0008643400000000, -0.0000774000000000, -0.0002524200000000 ]  - [   0.0094587800000000, -0.0040851900000000, -0.0036615100000000 ]  - [  -0.0002556000000000,  0.0008533400000000,  0.0004383700000000 ]  - [   0.0008993700000000, -0.0009584300000000, -0.0008993700000000 ]  - [   0.0007333800000000, -0.0015572200000000,  0.0002385300000000 ]  - [   0.0018857100000000,  0.0009268800000000, -0.0000196000000000 ]  - [   0.0000665900000000,  0.0002465900000000,  0.0003178100000000 ]  - [  -0.0008921300000000,  0.0014791300000000, -0.0003150800000000 ]  - [  -0.0057530000000000, -0.0059464300000000,  0.0057530000000000 ]  - [   0.0003998900000000, -0.0003138200000000,  0.0001556800000000 ]  - [  -0.0003618400000000, -0.0010050600000000,  0.0001853000000000 ]  - [   0.0000915700000000,  0.0012040500000000, -0.0005405600000000 ]  - [  -0.0003178100000000,  0.0002465900000000, -0.0000665900000000 ]  - [   0.0001604400000000,  0.0008964500000000, -0.0002892700000000 ]  - [  -0.0007187400000000, -0.0008212700000000, -0.0000256800000000 ]  - [   0.0008870600000000,  0.0000012100000000,  0.0001474200000000 ]  - [   0.0002830600000000,  0.0020336000000000, -0.0001571300000000 ]  - [   0.0002524200000000, -0.0000774000000000,  0.0008643400000000 ]  - [   0.0074698800000000,  0.0038036500000000, -0.0019974700000000 ]  - [   0.0003179900000000,  0.0004837700000000, -0.0003179900000000 ]  - [  -0.0004448000000000,  0.0002062700000000, -0.0002353200000000 ]  - [  -0.0002482200000000, -0.0000268100000000,  0.0000528700000000 ]  - [  -0.0000321700000000,  0.0003950000000000,  0.0000321700000000 ]  - [  -0.0004383700000000,  0.0008533400000000,  0.0002556000000000 ]  - [  -0.0051495800000000,  0.0021031100000000, -0.0034585300000000 ]  - [   0.0002892700000000,  0.0008964500000000, -0.0001604400000000 ]  - [  -0.0055941900000000, -0.0024224600000000,  0.0011238500000000 ]  - [   0.0008721800000000,  0.0003390200000000, -0.0008721800000000 ]  - [   0.0003150800000000,  0.0014791300000000,  0.0008921300000000 ]  - [  -0.0001556800000000, -0.0003138200000000, -0.0003998900000000 ]  - [  -0.0015012000000000,  0.0014088800000000,  0.0007305800000000 ]  - [  -0.0002385300000000, -0.0015572200000000, -0.0007333800000000 ]  - [  -0.0008430200000000,  0.0009903300000000,  0.0008430200000000 ]  - [   0.0000196000000000,  0.0009268800000000, -0.0018857100000000 ]  - [   0.0005405600000000,  0.0012040500000000, -0.0000915700000000 ]  - [  -0.0001853000000000, -0.0010050600000000,  0.0003618400000000 ]  - [  -0.0007305800000000,  0.0014088800000000,  0.0015012000000000 ]  - [   0.0036615100000000, -0.0040851900000000, -0.0094587800000000 ]  - [   0.0001571300000000,  0.0020336000000000, -0.0002830600000000 ]  - [  -0.0000528700000000, -0.0000268100000000,  0.0002482200000000 ]  - [   0.0000256800000000, -0.0008212700000000,  0.0007187400000000 ]  - [   0.0034585300000000,  0.0021031100000000,  0.0051495800000000 ]  - [   0.0002353200000000,  0.0002062700000000,  0.0004448000000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0082087300000000,  0.0001442100000000,  0.0095846400000000 ]  - [  -0.0005954700000000, -0.0030748500000000, -0.0008146300000000 ]  - [   0.0004574500000000, -0.0012749400000000, -0.0019570000000000 ]  - [  -0.0002201900000000,  0.0005584700000000,  0.0000451900000000 ]  - [   0.0017388700000000,  0.0020533700000000, -0.0014733000000000 ]  - [   0.0008146300000000, -0.0030748500000000,  0.0005954700000000 ]  - [  -0.0000451900000000,  0.0005584700000000,  0.0002201900000000 ]  - [  -0.0005286300000000,  0.0020728400000000,  0.0001682000000000 ]  - [   0.0014733000000000,  0.0020533700000000, -0.0017388700000000 ]  - [  -0.0095846400000000,  0.0001442100000000, -0.0082087300000000 ]  - [   0.0019570000000000, -0.0012749400000000, -0.0004574500000000 ]  - [  -0.0001682000000000,  0.0020728400000000,  0.0005286300000000 ]  - [  -0.0187865800000000, -0.0319386200000000,  0.0187865800000000 ]  - [   0.0093546000000000, -0.0291429300000000, -0.0093546000000000 ]  - [  -0.0031165400000000,  0.0038981500000000, -0.0005610300000000 ]  - [   0.0029857200000000,  0.0015348300000000, -0.0029857200000000 ]  - [   0.0002818500000000,  0.0010764300000000,  0.0006939700000000 ]  - [   0.0010935200000000,  0.0019923300000000,  0.0007396100000000 ]  - [  -0.0017912000000000,  0.0015429500000000,  0.0017912000000000 ]  - [   0.0002204400000000, -0.0022134400000000,  0.0002957000000000 ]  - [  -0.0006939700000000,  0.0010764300000000, -0.0002818500000000 ]  - [   0.0005610300000000,  0.0038981500000000,  0.0031165400000000 ]  - [   0.0004198700000000,  0.0010493200000000, -0.0004198700000000 ]  - [  -0.0001954900000000,  0.0005033700000000,  0.0001954900000000 ]  - [  -0.0012962900000000, -0.0015051000000000, -0.0007679500000000 ]  - [   0.0004004400000000, -0.0006528200000000, -0.0004004400000000 ]  - [  -0.0017889300000000, -0.0000457700000000,  0.0013077900000000 ]  - [  -0.0002957000000000, -0.0022134400000000, -0.0002204400000000 ]  - [  -0.0014594400000000,  0.0037216200000000,  0.0014594400000000 ]  - [  -0.0007396100000000,  0.0019923300000000, -0.0010935200000000 ]  - [  -0.0013077900000000, -0.0000457700000000,  0.0017889300000000 ]  - [   0.0007679500000000, -0.0015051000000000,  0.0012962900000000 ]  - [   0.0251818000000000,  0.0670634900000000, -0.0251818000000000 ]  - [  -0.0018653500000000, -0.0039935500000000,  0.0076705300000000 ]  - [   0.0002966100000000, -0.0001457500000000,  0.0009208800000000 ]  - [  -0.0043835600000000, -0.0157309900000000,  0.0043835600000000 ]  - [   0.0011032300000000,  0.0025385200000000, -0.0054526600000000 ]  - [   0.0007218600000000, -0.0000705900000000,  0.0002276500000000 ]  - [  -0.0096322600000000,  0.0039938800000000,  0.0035335000000000 ]  - [   0.0001085000000000, -0.0007046200000000, -0.0004085500000000 ]  - [  -0.0010317300000000,  0.0009629800000000,  0.0010317300000000 ]  - [  -0.0008069100000000,  0.0016953400000000, -0.0000928500000000 ]  - [  -0.0020182700000000, -0.0010003300000000, -0.0001231200000000 ]  - [  -0.0002100200000000, -0.0003805600000000, -0.0003836500000000 ]  - [   0.0007538200000000, -0.0013411900000000,  0.0003874400000000 ]  - [   0.0056006100000000,  0.0059796400000000, -0.0056006100000000 ]  - [  -0.0002510900000000,  0.0002456000000000, -0.0000105900000000 ]  - [   0.0005121800000000,  0.0011547100000000, -0.0002626100000000 ]  - [  -0.0000178100000000, -0.0010528600000000,  0.0003925300000000 ]  - [   0.0003836500000000, -0.0003805600000000,  0.0002100200000000 ]  - [  -0.0000166000000000, -0.0009140900000000,  0.0004363600000000 ]  - [   0.0008555900000000,  0.0009696000000000, -0.0000040200000000 ]  - [  -0.0009208800000000, -0.0001457500000000, -0.0002966100000000 ]  - [  -0.0002625800000000, -0.0018853400000000,  0.0000011400000000 ]  - [  -0.0002276500000000, -0.0000705900000000, -0.0007218600000000 ]  - [  -0.0076705300000000, -0.0039935500000000,  0.0018653500000000 ]  - [  -0.0001739800000000, -0.0004153200000000,  0.0001739800000000 ]  - [   0.0005815300000000, -0.0003524900000000,  0.0003033400000000 ]  - [   0.0003948500000000, -0.0001315000000000, -0.0000287900000000 ]  - [   0.0001758500000000, -0.0003498500000000, -0.0001758500000000 ]  - [   0.0004085500000000, -0.0007046200000000, -0.0001085000000000 ]  - [   0.0049461300000000, -0.0022244600000000,  0.0034007600000000 ]  - [  -0.0004363600000000, -0.0009140900000000,  0.0000166000000000 ]  - [   0.0054526600000000,  0.0025385200000000, -0.0011032300000000 ]  - [  -0.0009991500000000, -0.0002689000000000,  0.0009991500000000 ]  - [  -0.0003874400000000, -0.0013411900000000, -0.0007538200000000 ]  - [   0.0000105900000000,  0.0002456000000000,  0.0002510900000000 ]  - [   0.0013291800000000, -0.0015569000000000, -0.0008067100000000 ]  - [   0.0000928500000000,  0.0016953400000000,  0.0008069100000000 ]  - [   0.0006865900000000, -0.0009089900000000, -0.0006865900000000 ]  - [   0.0001231200000000, -0.0010003300000000,  0.0020182700000000 ]  - [  -0.0003925300000000, -0.0010528600000000,  0.0000178100000000 ]  - [   0.0002626100000000,  0.0011547100000000, -0.0005121800000000 ]  - [   0.0008067100000000, -0.0015569000000000, -0.0013291800000000 ]  - [  -0.0035335000000000,  0.0039938800000000,  0.0096322600000000 ]  - [  -0.0000011400000000, -0.0018853400000000,  0.0002625800000000 ]  - [   0.0000287900000000, -0.0001315000000000, -0.0003948500000000 ]  - [   0.0000040200000000,  0.0009696000000000, -0.0008555900000000 ]  - [  -0.0034007600000000, -0.0022244600000000, -0.0049461300000000 ]  - [  -0.0003033400000000, -0.0003524900000000, -0.0005815300000000 ]- atom:   35  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007488000000000, -0.0003800800000000,  0.0009656100000000 ]  - [   0.0222250800000000,  0.0149787800000000, -0.0101587600000000 ]  - [  -0.0002396000000000, -0.0002606600000000, -0.0005515800000000 ]  - [  -0.0066334000000000,  0.0010173600000000,  0.0037203200000000 ]  - [  -0.0020159400000000, -0.0000431600000000, -0.0017349200000000 ]  - [  -0.0023211900000000, -0.0000855300000000,  0.0006162500000000 ]  - [  -0.0041750900000000, -0.0014703200000000,  0.0021221900000000 ]  - [  -0.0010521400000000, -0.0000707500000000, -0.0002305300000000 ]  - [   0.0259947100000000,  0.0124213800000000,  0.0136994400000000 ]  - [   0.0002562900000000,  0.0011122700000000,  0.0010083100000000 ]  - [   0.0029054700000000,  0.0001068400000000, -0.0008576400000000 ]  - [   0.0035172600000000,  0.0018246500000000,  0.0017726600000000 ]  - [   0.0002406200000000,  0.0020461500000000, -0.0009413900000000 ]  - [   0.0028690200000000, -0.0004623000000000,  0.0000209800000000 ]  - [   0.0040567800000000,  0.0012350600000000,  0.0016680200000000 ]  - [   0.0009167800000000,  0.0010563200000000, -0.0001141700000000 ]  - [   0.0515354800000000, -0.0329646700000000,  0.0474772500000000 ]  - [  -0.0006367500000000, -0.0002010000000000,  0.0000949300000000 ]  - [  -0.0049751700000000, -0.0056240700000000, -0.0064085600000000 ]  - [  -0.0020779300000000,  0.0002037800000000,  0.0010229400000000 ]  - [  -0.0011415400000000,  0.0006772100000000, -0.0010043600000000 ]  - [   0.0007234000000000, -0.0010743400000000,  0.0008149000000000 ]  - [  -0.0029755200000000,  0.0020249600000000, -0.0016539100000000 ]  - [  -0.0037716600000000, -0.0010899200000000,  0.0006298700000000 ]  - [  -0.0034747500000000,  0.0017827600000000, -0.0001159900000000 ]  - [  -0.0064947100000000,  0.0005385500000000, -0.0029400900000000 ]  - [  -0.0010365700000000, -0.0002505800000000, -0.0002060600000000 ]  - [  -0.0029473400000000,  0.0104323600000000,  0.0066649200000000 ]  - [   0.0020508300000000, -0.0014977300000000, -0.0016552800000000 ]  - [   0.0002956800000000, -0.0012734400000000,  0.0007433200000000 ]  - [   0.0005387500000000,  0.0005766600000000, -0.0021440500000000 ]  - [  -0.0009230700000000, -0.0011585200000000,  0.0009241700000000 ]  - [  -0.0008103700000000, -0.0001596600000000,  0.0003714600000000 ]  - [  -0.0033362900000000, -0.0013742700000000,  0.0045560200000000 ]  - [  -0.1351322300000000, -0.0037491200000000, -0.0575664600000000 ]  - [  -0.0008155200000000, -0.0004759900000000, -0.0000356700000000 ]  - [  -0.0043307900000000,  0.0028489800000000, -0.0011315400000000 ]  - [   0.0026053500000000, -0.0014289000000000, -0.0065835900000000 ]  - [  -0.0006877100000000, -0.0002668400000000, -0.0002851500000000 ]  - [   0.0050075100000000, -0.0068354800000000, -0.0018851100000000 ]  - [  -0.0006895300000000, -0.0004030900000000,  0.0001940400000000 ]  - [   0.0020904400000000,  0.0008631200000000, -0.0017545900000000 ]  - [   0.0001523800000000, -0.0002434700000000,  0.0000625600000000 ]  - [   0.0256888900000000,  0.0070519100000000,  0.0095701500000000 ]  - [  -0.0006160800000000, -0.0001066900000000, -0.0008990000000000 ]  - [  -0.0011229500000000,  0.0008514500000000,  0.0018694000000000 ]  - [   0.0026451800000000,  0.0007225000000000,  0.0009793000000000 ]  - [   0.0010276400000000,  0.0005849000000000, -0.0001445600000000 ]  - [   0.0008386000000000, -0.0001497500000000,  0.0003176600000000 ]  - [   0.0020197500000000, -0.0006980800000000,  0.0015917900000000 ]  - [   0.0020251000000000, -0.0006440600000000, -0.0003432200000000 ]  - [   0.0021957500000000,  0.0007565900000000,  0.0010643800000000 ]  - [   0.0013064500000000, -0.0000372300000000,  0.0005311400000000 ]  - [   0.0001460900000000,  0.0001967000000000,  0.0001988800000000 ]  - [   0.0013950100000000,  0.0012582200000000, -0.0012964600000000 ]  - [   0.0000132900000000, -0.0001465300000000,  0.0001659300000000 ]  - [   0.0030372400000000, -0.0002650000000000, -0.0008903400000000 ]  - [   0.0017817900000000, -0.0014441000000000, -0.0000455900000000 ]  - [   0.0005939200000000, -0.0000131800000000,  0.0002599100000000 ]  - [   0.0049919800000000,  0.0010471300000000, -0.0003977100000000 ]  - [   0.0013851500000000,  0.0002857100000000, -0.0002026300000000 ]  - [   0.0005190800000000, -0.0007514000000000,  0.0001501200000000 ]  - [   0.0042468800000000,  0.0037703900000000, -0.0028285100000000 ]  - [   0.0005191200000000,  0.0000302700000000, -0.0002005900000000 ]  - [   0.0042525000000000, -0.0036392000000000,  0.0025656200000000 ]  - [  -0.0000559600000000,  0.0005376600000000, -0.0002451100000000 ]  - [   0.0146652700000000, -0.0055181700000000, -0.0023341600000000 ]  - [   0.0000972900000000,  0.0004717100000000,  0.0002979500000000 ]  - [   0.0051935400000000, -0.0054394400000000, -0.0008720800000000 ]  - [   0.0022521700000000,  0.0050777000000000,  0.0039923800000000 ]  - [  -0.0006727800000000, -0.0001357400000000, -0.0005535300000000 ]  - [  -0.0057873500000000,  0.0065203900000000, -0.0036801600000000 ]  - [  -0.0024061000000000, -0.0043649500000000,  0.0002652200000000 ]  - [  -0.0008303400000000,  0.0004262100000000, -0.0000508700000000 ]  - [  -0.0024021600000000, -0.0021516100000000, -0.0012507100000000 ]  - [  -0.0050285900000000,  0.0014440100000000,  0.0020495600000000 ]  - [  -0.0008376100000000, -0.0003932500000000,  0.0004750500000000 ]  - [   0.0011783500000000,  0.0025595000000000,  0.0011247700000000 ]  - [  -0.0002841100000000,  0.0003424800000000, -0.0003746800000000 ]  - [  -0.0000077900000000, -0.0009404000000000, -0.0000500700000000 ]- atom:   35  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007498600000000,  0.0003803500000000, -0.0009708200000000 ]  - [  -0.0220731100000000, -0.0144243600000000,  0.0097548500000000 ]  - [   0.0002391900000000,  0.0002582100000000,  0.0005525200000000 ]  - [   0.0066506800000000, -0.0010013800000000, -0.0037217500000000 ]  - [   0.0020306900000000,  0.0000383500000000,  0.0017575900000000 ]  - [   0.0023140100000000,  0.0000797100000000, -0.0006197700000000 ]  - [   0.0041869000000000,  0.0014858100000000, -0.0021446400000000 ]  - [   0.0010489800000000,  0.0000774400000000,  0.0002391000000000 ]  - [  -0.0270094400000000, -0.0132941900000000, -0.0146719300000000 ]  - [  -0.0002529300000000, -0.0011093800000000, -0.0009931000000000 ]  - [  -0.0028944900000000, -0.0001037400000000,  0.0008655700000000 ]  - [  -0.0035139700000000, -0.0018376800000000, -0.0017930100000000 ]  - [  -0.0003474700000000, -0.0019531100000000,  0.0010551500000000 ]  - [  -0.0028665200000000,  0.0004450000000000, -0.0000187500000000 ]  - [  -0.0040514600000000, -0.0012366700000000, -0.0017085000000000 ]  - [  -0.0009104900000000, -0.0010433500000000,  0.0001213800000000 ]  - [  -0.0506189600000000,  0.0313621600000000, -0.0456775100000000 ]  - [   0.0007420800000000,  0.0001038200000000,  0.0000081500000000 ]  - [   0.0050976800000000,  0.0057026500000000,  0.0062824800000000 ]  - [   0.0019849500000000, -0.0003201400000000, -0.0011235900000000 ]  - [   0.0011356100000000, -0.0006731200000000,  0.0010019300000000 ]  - [  -0.0007083600000000,  0.0010744600000000, -0.0008028300000000 ]  - [   0.0028899300000000, -0.0019281600000000,  0.0017540000000000 ]  - [   0.0037980100000000,  0.0010892900000000, -0.0006401400000000 ]  - [   0.0034599600000000, -0.0017889000000000,  0.0000887200000000 ]  - [   0.0065232100000000, -0.0005199400000000,  0.0029778400000000 ]  - [   0.0010395600000000,  0.0002531000000000,  0.0002247900000000 ]  - [   0.0029681000000000, -0.0105539000000000, -0.0066019800000000 ]  - [  -0.0019745400000000,  0.0016121100000000,  0.0015749900000000 ]  - [  -0.0004293100000000,  0.0011747900000000, -0.0008215600000000 ]  - [  -0.0005568200000000, -0.0005712500000000,  0.0021165600000000 ]  - [   0.0009522100000000,  0.0011637000000000, -0.0009218400000000 ]  - [   0.0009733400000000,  0.0002800400000000, -0.0005352800000000 ]  - [   0.0035360800000000,  0.0012077700000000, -0.0044279300000000 ]  - [   0.1349002900000000,  0.0053639400000000,  0.0569760000000000 ]  - [   0.0009553100000000,  0.0004643400000000, -0.0001066900000000 ]  - [   0.0043156600000000, -0.0026921900000000,  0.0012786100000000 ]  - [  -0.0027392800000000,  0.0013035400000000,  0.0065647300000000 ]  - [   0.0005531800000000,  0.0002794900000000,  0.0001504100000000 ]  - [  -0.0051334400000000,  0.0069332300000000,  0.0019291500000000 ]  - [   0.0005503500000000,  0.0003953500000000, -0.0000611800000000 ]  - [  -0.0022354500000000, -0.0007262200000000,  0.0019346400000000 ]  - [  -0.0003154300000000,  0.0001238800000000, -0.0002267100000000 ]  - [  -0.0253526700000000, -0.0070794200000000, -0.0095190000000000 ]  - [   0.0004575500000000,  0.0002658600000000,  0.0010268200000000 ]  - [   0.0009671000000000, -0.0007355100000000, -0.0017104900000000 ]  - [  -0.0025050700000000, -0.0008479500000000, -0.0008358300000000 ]  - [  -0.0008767800000000, -0.0004297500000000,  0.0000326600000000 ]  - [  -0.0007212700000000,  0.0003063700000000, -0.0004791500000000 ]  - [  -0.0019018700000000,  0.0005523500000000, -0.0014281700000000 ]  - [  -0.0018836000000000,  0.0006502400000000,  0.0004841400000000 ]  - [  -0.0020426700000000, -0.0006089600000000, -0.0010497700000000 ]  - [  -0.0013047600000000, -0.0001071600000000, -0.0006833400000000 ]  - [  -0.0001542300000000, -0.0000593300000000, -0.0003502000000000 ]  - [  -0.0013845100000000, -0.0013874200000000,  0.0014283900000000 ]  - [  -0.0001300400000000, -0.0000131900000000, -0.0003280000000000 ]  - [  -0.0028962500000000,  0.0003769700000000,  0.0007465200000000 ]  - [  -0.0016340400000000,  0.0012984700000000,  0.0001545600000000 ]  - [  -0.0004502700000000, -0.0001234800000000, -0.0002749800000000 ]  - [  -0.0048525100000000, -0.0010655900000000,  0.0002498800000000 ]  - [  -0.0013767300000000, -0.0001501100000000,  0.0003468800000000 ]  - [  -0.0006621600000000,  0.0006140400000000, -0.0001526700000000 ]  - [  -0.0044229000000000, -0.0037895300000000,  0.0027135600000000 ]  - [  -0.0006651500000000,  0.0001129600000000,  0.0001901700000000 ]  - [  -0.0044175800000000,  0.0036505800000000, -0.0024273000000000 ]  - [  -0.0000475500000000, -0.0003987200000000,  0.0003904700000000 ]  - [  -0.0151013500000000,  0.0055279000000000,  0.0022259000000000 ]  - [  -0.0002524900000000, -0.0006318600000000, -0.0004274200000000 ]  - [  -0.0053308800000000,  0.0055788900000000,  0.0009954300000000 ]  - [  -0.0024388500000000, -0.0050192100000000, -0.0038857000000000 ]  - [   0.0008209100000000,  0.0000259700000000,  0.0007005100000000 ]  - [   0.0060174000000000, -0.0062769600000000,  0.0035218200000000 ]  - [   0.0025558900000000,  0.0044785300000000, -0.0003981900000000 ]  - [   0.0009544100000000, -0.0005862400000000,  0.0002139100000000 ]  - [   0.0025469500000000,  0.0021595400000000,  0.0013937200000000 ]  - [   0.0052045200000000, -0.0012893500000000, -0.0020139500000000 ]  - [   0.0008488100000000,  0.0002542800000000, -0.0006078600000000 ]  - [  -0.0011976900000000, -0.0024310700000000, -0.0012854800000000 ]  - [   0.0002737800000000, -0.0004842600000000,  0.0005173300000000 ]  - [  -0.0001080800000000,  0.0007872200000000, -0.0000947900000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0004557400000000,  0.0013445200000000, -0.0021131000000000 ]  - [  -0.0058339500000000, -0.0088952500000000,  0.0175434000000000 ]  - [   0.0000000600000000,  0.0001962700000000, -0.0012731300000000 ]  - [   0.0001864500000000, -0.0018528600000000,  0.0040503400000000 ]  - [  -0.0013445200000000, -0.0004557400000000, -0.0021131000000000 ]  - [   0.0006769100000000,  0.0000592500000000, -0.0025063900000000 ]  - [  -0.0004727400000000,  0.0005773500000000,  0.0024050000000000 ]  - [  -0.0001962700000000, -0.0000000600000000, -0.0012731300000000 ]  - [   0.0088952500000000,  0.0058339500000000,  0.0175434000000000 ]  - [  -0.0000592500000000, -0.0006769100000000, -0.0025063900000000 ]  - [  -0.0005773500000000,  0.0004727400000000,  0.0024050000000000 ]  - [   0.0018528600000000, -0.0001864500000000,  0.0040503400000000 ]  - [  -0.0043533100000000,  0.0043533100000000, -0.0047469900000000 ]  - [  -0.0007017700000000, -0.0008728500000000, -0.0031338400000000 ]  - [   0.0040897100000000, -0.0040897100000000, -0.0053300600000000 ]  - [   0.0001232800000000,  0.0013667800000000, -0.0012671600000000 ]  - [   0.0510556900000000, -0.0510556900000000,  0.0843676600000000 ]  - [   0.0005723700000000, -0.0005723700000000, -0.0014900400000000 ]  - [  -0.0006492100000000, -0.0020356700000000, -0.0003984800000000 ]  - [   0.0021271700000000,  0.0002871700000000, -0.0026469800000000 ]  - [  -0.0013667800000000, -0.0001232800000000, -0.0012671600000000 ]  - [   0.0008728500000000,  0.0007017700000000, -0.0031338400000000 ]  - [  -0.0013972600000000,  0.0013972600000000,  0.0009961500000000 ]  - [  -0.0025020600000000, -0.0010274000000000,  0.0011980800000000 ]  - [   0.0019016400000000, -0.0019016400000000,  0.0009003500000000 ]  - [  -0.0014630700000000,  0.0008710700000000,  0.0022863300000000 ]  - [  -0.0002843100000000,  0.0002843100000000, -0.0004794300000000 ]  - [   0.0036005200000000, -0.0036005200000000,  0.0120408000000000 ]  - [  -0.0002871700000000, -0.0021271700000000, -0.0026469800000000 ]  - [   0.0020356700000000,  0.0006492100000000, -0.0003984800000000 ]  - [  -0.0008710700000000,  0.0014630700000000,  0.0022863300000000 ]  - [   0.0010274000000000,  0.0025020600000000,  0.0011980800000000 ]  - [  -0.0008738900000000, -0.0008446100000000,  0.0024877200000000 ]  - [   0.0033348900000000, -0.0033348900000000,  0.0158105000000000 ]  - [  -0.0581458900000000,  0.0581458900000000, -0.1243340400000000 ]  - [  -0.0004017200000000, -0.0004872600000000,  0.0012355700000000 ]  - [   0.0030517300000000, -0.0037103100000000,  0.0012633900000000 ]  - [  -0.0066222000000000,  0.0019587700000000,  0.0047572700000000 ]  - [   0.0003279700000000,  0.0004160500000000,  0.0013066800000000 ]  - [   0.0018281100000000, -0.0018281100000000, -0.0109848900000000 ]  - [  -0.0003432100000000, -0.0004190700000000,  0.0002180600000000 ]  - [  -0.0034865900000000, -0.0018419300000000,  0.0028409500000000 ]  - [   0.0005603200000000, -0.0004796500000000,  0.0010868200000000 ]  - [   0.0054966600000000,  0.0031594400000000, -0.0041284600000000 ]  - [  -0.0020104400000000,  0.0020104400000000, -0.0009079400000000 ]  - [  -0.0001272400000000,  0.0002905900000000,  0.0001146200000000 ]  - [  -0.0001319100000000, -0.0000623100000000,  0.0000085400000000 ]  - [  -0.0007585500000000, -0.0004712500000000,  0.0008511500000000 ]  - [   0.0004796500000000, -0.0005603200000000,  0.0010868200000000 ]  - [   0.0003248500000000,  0.0001240100000000, -0.0000547000000000 ]  - [   0.0007178800000000,  0.0001217400000000, -0.0002079300000000 ]  - [  -0.0009943700000000, -0.0000810400000000,  0.0008150400000000 ]  - [   0.0004872600000000,  0.0004017200000000,  0.0012355700000000 ]  - [  -0.0004160500000000, -0.0003279700000000,  0.0013066800000000 ]  - [  -0.0024871200000000, -0.0022315900000000,  0.0014581200000000 ]  - [   0.0008446100000000,  0.0008738900000000,  0.0024877200000000 ]  - [   0.0020934900000000,  0.0000961900000000, -0.0017798200000000 ]  - [   0.0005827200000000, -0.0005827200000000,  0.0004329800000000 ]  - [   0.0003408400000000, -0.0003408400000000,  0.0009336100000000 ]  - [   0.0011304000000000,  0.0004512200000000, -0.0009081700000000 ]  - [   0.0004190700000000,  0.0003432100000000,  0.0002180600000000 ]  - [   0.0000810400000000,  0.0009943700000000,  0.0008150400000000 ]  - [   0.0035675700000000,  0.0030437600000000, -0.0043754400000000 ]  - [   0.0001216400000000, -0.0001216400000000,  0.0018398300000000 ]  - [   0.0037103100000000, -0.0030517300000000,  0.0012633900000000 ]  - [  -0.0002905900000000,  0.0001272400000000,  0.0001146200000000 ]  - [   0.0006762500000000, -0.0011761100000000, -0.0058384400000000 ]  - [   0.0004712500000000,  0.0007585500000000,  0.0008511500000000 ]  - [  -0.0070290300000000,  0.0070290300000000,  0.0003613800000000 ]  - [   0.0018419300000000,  0.0034865900000000,  0.0028409500000000 ]  - [  -0.0001240100000000, -0.0003248500000000, -0.0000547000000000 ]  - [  -0.0031594400000000, -0.0054966600000000, -0.0041284600000000 ]  - [   0.0011761100000000, -0.0006762500000000, -0.0058384400000000 ]  - [   0.0000623100000000,  0.0001319100000000,  0.0000085400000000 ]  - [   0.0022315900000000,  0.0024871200000000,  0.0014581200000000 ]  - [  -0.0019587700000000,  0.0066222000000000,  0.0047572700000000 ]  - [  -0.0004512200000000, -0.0011304000000000, -0.0009081700000000 ]  - [  -0.0030437600000000, -0.0035675700000000, -0.0043754400000000 ]  - [  -0.0001217400000000, -0.0007178800000000, -0.0002079300000000 ]  - [  -0.0000961900000000, -0.0020934900000000, -0.0017798200000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0004570400000000, -0.0013428000000000,  0.0021103400000000 ]  - [   0.0062247700000000,  0.0095003100000000, -0.0178020200000000 ]  - [   0.0000016400000000, -0.0001884800000000,  0.0012745600000000 ]  - [  -0.0001860900000000,  0.0018454000000000, -0.0040710400000000 ]  - [   0.0013428000000000,  0.0004570400000000,  0.0021103400000000 ]  - [  -0.0006679400000000, -0.0000571300000000,  0.0025096300000000 ]  - [   0.0004659900000000, -0.0005936100000000, -0.0023954300000000 ]  - [   0.0001884800000000, -0.0000016400000000,  0.0012745600000000 ]  - [  -0.0095003100000000, -0.0062247700000000, -0.0178020200000000 ]  - [   0.0000571300000000,  0.0006679400000000,  0.0025096300000000 ]  - [   0.0005936100000000, -0.0004659900000000, -0.0023954300000000 ]  - [  -0.0018454000000000,  0.0001860900000000, -0.0040710400000000 ]  - [   0.0042754300000000, -0.0042754300000000,  0.0048507900000000 ]  - [   0.0006921200000000,  0.0008453500000000,  0.0031412600000000 ]  - [  -0.0041080100000000,  0.0041080100000000,  0.0053168800000000 ]  - [  -0.0001202900000000, -0.0013229700000000,  0.0012652900000000 ]  - [  -0.0487830300000000,  0.0487830300000000, -0.0823493800000000 ]  - [  -0.0004812800000000,  0.0004812800000000,  0.0015913400000000 ]  - [   0.0007601700000000,  0.0021590600000000,  0.0003261300000000 ]  - [  -0.0022306800000000, -0.0003927200000000,  0.0025495600000000 ]  - [   0.0013229700000000,  0.0001202900000000,  0.0012652900000000 ]  - [  -0.0008453500000000, -0.0006921200000000,  0.0031412600000000 ]  - [   0.0012967500000000, -0.0012967500000000, -0.0008799300000000 ]  - [   0.0025011000000000,  0.0010085400000000, -0.0011938700000000 ]  - [  -0.0018953700000000,  0.0018953700000000, -0.0009215200000000 ]  - [   0.0014509200000000, -0.0008460000000000, -0.0023173100000000 ]  - [   0.0002853600000000, -0.0002853600000000,  0.0005014600000000 ]  - [  -0.0036359600000000,  0.0036359600000000, -0.0117431100000000 ]  - [   0.0003927200000000,  0.0022306800000000,  0.0025495600000000 ]  - [  -0.0021590600000000, -0.0007601700000000,  0.0003261300000000 ]  - [   0.0008460000000000, -0.0014509200000000, -0.0023173100000000 ]  - [  -0.0010085400000000, -0.0025011000000000, -0.0011938700000000 ]  - [   0.0010252900000000,  0.0009404400000000, -0.0026448500000000 ]  - [  -0.0032264600000000,  0.0032264600000000, -0.0159429100000000 ]  - [   0.0563974200000000, -0.0563974200000000,  0.1231702800000000 ]  - [   0.0005419400000000,  0.0005021100000000, -0.0013798700000000 ]  - [  -0.0030719600000000,  0.0038512700000000, -0.0011109900000000 ]  - [   0.0065226600000000, -0.0021060500000000, -0.0048068500000000 ]  - [  -0.0004734200000000, -0.0004394700000000, -0.0014587400000000 ]  - [  -0.0019886700000000,  0.0019886700000000,  0.0108802400000000 ]  - [   0.0001997500000000,  0.0004364000000000, -0.0000778600000000 ]  - [   0.0033921200000000,  0.0019835500000000, -0.0026924200000000 ]  - [  -0.0007098200000000,  0.0003887300000000, -0.0012372800000000 ]  - [  -0.0057220900000000, -0.0033333500000000,  0.0039686300000000 ]  - [   0.0018712300000000, -0.0018712300000000,  0.0009948500000000 ]  - [  -0.0000158600000000, -0.0002097700000000,  0.0000262800000000 ]  - [   0.0002876500000000, -0.0000164300000000,  0.0001475300000000 ]  - [   0.0009080800000000,  0.0006252500000000, -0.0009402600000000 ]  - [  -0.0003887300000000,  0.0007098200000000, -0.0012372800000000 ]  - [  -0.0002419100000000, -0.0002653400000000,  0.0001942300000000 ]  - [  -0.0005738700000000, -0.0001406800000000,  0.0003537500000000 ]  - [   0.0011253600000000,  0.0002285200000000, -0.0008480500000000 ]  - [  -0.0005021100000000, -0.0005419400000000, -0.0013798700000000 ]  - [   0.0004394700000000,  0.0004734200000000, -0.0014587400000000 ]  - [   0.0025040100000000,  0.0020747100000000, -0.0013185200000000 ]  - [  -0.0009404400000000, -0.0010252900000000, -0.0026448500000000 ]  - [  -0.0019389400000000, -0.0000078100000000,  0.0016256100000000 ]  - [  -0.0004303700000000,  0.0004303700000000, -0.0003392400000000 ]  - [  -0.0001897600000000,  0.0001897600000000, -0.0009111900000000 ]  - [  -0.0009793700000000, -0.0004188900000000,  0.0007730800000000 ]  - [  -0.0004364000000000, -0.0001997500000000, -0.0000778600000000 ]  - [  -0.0002285200000000, -0.0011253600000000, -0.0008480500000000 ]  - [  -0.0037257700000000, -0.0030804300000000,  0.0042665600000000 ]  - [  -0.0002717000000000,  0.0002717000000000, -0.0018162500000000 ]  - [  -0.0038512700000000,  0.0030719600000000, -0.0011109900000000 ]  - [   0.0002097700000000,  0.0000158600000000,  0.0000262800000000 ]  - [  -0.0007321600000000,  0.0010690800000000,  0.0056936800000000 ]  - [  -0.0006252500000000, -0.0009080800000000, -0.0009402600000000 ]  - [   0.0068247700000000, -0.0068247700000000, -0.0002638200000000 ]  - [  -0.0019835500000000, -0.0033921200000000, -0.0026924200000000 ]  - [   0.0002653400000000,  0.0002419100000000,  0.0001942300000000 ]  - [   0.0033333500000000,  0.0057220900000000,  0.0039686300000000 ]  - [  -0.0010690800000000,  0.0007321600000000,  0.0056936800000000 ]  - [   0.0000164300000000, -0.0002876500000000,  0.0001475300000000 ]  - [  -0.0020747100000000, -0.0025040100000000, -0.0013185200000000 ]  - [   0.0021060500000000, -0.0065226600000000, -0.0048068500000000 ]  - [   0.0004188900000000,  0.0009793700000000,  0.0007730800000000 ]  - [   0.0030804300000000,  0.0037257700000000,  0.0042665600000000 ]  - [   0.0001406800000000,  0.0005738700000000,  0.0003537500000000 ]  - [   0.0000078100000000,  0.0019389400000000,  0.0016256100000000 ]