# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/56f4d495-f1da-45d8-bed5-8f9df37c49ce/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 HoCuO2 / R-3m (166) / materials id 754472](https://mdr.nims.go.jp/datasets/16f9c217-3ad9-460b-ae3b-087d9742785b)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     1.740604666666668,     1.004938576666666,     5.638793446666661 ] # a  - [    -1.740604673333332,     1.004938576666666,     5.638793446666661 ] # b  - [     0.000000006666668,    -2.009877153333334,     5.638793446666661 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.500000000000000,  0.499999990000003,  0.500000000000000 ]    mass: 164.930320  - symbol: Cu # 2    coordinates: [  1.000000000000000,  0.000000010000002,  0.000000000000000 ]    mass: 63.546000  - symbol: O  # 3    coordinates: [  0.106636870000000,  0.106636880000002,  0.106636870000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.893363120000000,  0.893363120000003,  0.893363120000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.287256496904607,     0.165847616455340,     0.059114301044381 ] # a*  - [    -0.287256496904607,     0.165847614549708,     0.059114301044381 ] # b*  - [    -0.000000000000000,    -0.331695231005047,     0.059114301044381 ] # c*unit_cell:  lattice:  - [     3.481209340000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.740604680000000,     3.014815730000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.916380340000000 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Cu # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 4  - symbol: Cu # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 4  - symbol: Cu # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 4  - symbol: O  # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.773303540000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.893363120000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.106636880000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 10    coordinates: [  0.666666670000000,  0.333333330000000,  0.226696460000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 11    coordinates: [  0.666666670000000,  0.333333330000000,  0.439970210000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 12    coordinates: [  0.333333330000000,  0.666666670000000,  0.560029790000000 ]    mass: 15.999400    reduced_to: 8supercell:  lattice:  - [    10.443628020000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.221814040000000,     9.044447190000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.916380340000000 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.222222223333333,  0.111111110000000,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 2    coordinates: [  0.555555556666667,  0.111111110000000,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 3    coordinates: [  0.888888890000000,  0.111111110000000,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 4    coordinates: [  0.222222223333333,  0.444444443333333,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 5    coordinates: [  0.555555556666667,  0.444444443333333,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 6    coordinates: [  0.888888890000000,  0.444444443333333,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 7    coordinates: [  0.222222223333333,  0.777777776666667,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 8    coordinates: [  0.555555556666667,  0.777777776666667,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 9    coordinates: [  0.888888890000000,  0.777777776666667,  0.833333330000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 10    coordinates: [  0.111111110000000,  0.222222223333333,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 11    coordinates: [  0.444444443333333,  0.222222223333333,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 12    coordinates: [  0.777777776666667,  0.222222223333333,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 13    coordinates: [  0.111111110000000,  0.555555556666667,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 14    coordinates: [  0.444444443333333,  0.555555556666667,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 15    coordinates: [  0.777777776666667,  0.555555556666667,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 16    coordinates: [  0.111111110000000,  0.888888890000000,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 17    coordinates: [  0.444444443333333,  0.888888890000000,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 18    coordinates: [  0.777777776666667,  0.888888890000000,  0.166666670000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 20    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 21    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 22    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 23    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 24    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 25    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 26    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 27    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Cu # 28    coordinates: [  0.111111110000000,  0.222222223333333,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 29    coordinates: [  0.444444443333333,  0.222222223333333,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 30    coordinates: [  0.777777776666667,  0.222222223333333,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 31    coordinates: [  0.111111110000000,  0.555555556666667,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 32    coordinates: [  0.444444443333333,  0.555555556666667,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 33    coordinates: [  0.777777776666667,  0.555555556666667,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 34    coordinates: [  0.111111110000000,  0.888888890000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 35    coordinates: [  0.444444443333333,  0.888888890000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 36    coordinates: [  0.777777776666667,  0.888888890000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 46    coordinates: [  0.222222223333333,  0.111111110000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 47    coordinates: [  0.555555556666667,  0.111111110000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 48    coordinates: [  0.888888890000000,  0.111111110000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 49    coordinates: [  0.222222223333333,  0.444444443333333,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 50    coordinates: [  0.555555556666667,  0.444444443333333,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 51    coordinates: [  0.888888890000000,  0.444444443333333,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 52    coordinates: [  0.222222223333333,  0.777777776666667,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 53    coordinates: [  0.555555556666667,  0.777777776666667,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: Cu # 54    coordinates: [  0.888888890000000,  0.777777776666667,  0.333333330000000 ]    mass: 63.546000    reduced_to: 28  - symbol: O  # 55    coordinates: [  0.111111110000000,  0.222222223333333,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.444444443333333,  0.222222223333333,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.777777776666667,  0.222222223333333,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.111111110000000,  0.555555556666667,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 59    coordinates: [  0.444444443333333,  0.555555556666667,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 60    coordinates: [  0.777777776666667,  0.555555556666667,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 61    coordinates: [  0.111111110000000,  0.888888890000000,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 62    coordinates: [  0.444444443333333,  0.888888890000000,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 63    coordinates: [  0.777777776666667,  0.888888890000000,  0.773303540000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.333333333333333,  0.000000000000000,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 66    coordinates: [  0.666666666666667,  0.000000000000000,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 67    coordinates: [  0.000000000000000,  0.333333333333333,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 68    coordinates: [  0.333333333333333,  0.333333333333333,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 69    coordinates: [  0.666666666666667,  0.333333333333333,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 70    coordinates: [  0.000000000000000,  0.666666666666667,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 71    coordinates: [  0.333333333333333,  0.666666666666667,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 72    coordinates: [  0.666666666666667,  0.666666666666667,  0.893363120000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 74    coordinates: [  0.333333333333333,  0.000000000000000,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 75    coordinates: [  0.666666666666667,  0.000000000000000,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 76    coordinates: [  0.000000000000000,  0.333333333333333,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 77    coordinates: [  0.333333333333333,  0.333333333333333,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 78    coordinates: [  0.666666666666667,  0.333333333333333,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 79    coordinates: [  0.000000000000000,  0.666666666666667,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.333333333333333,  0.666666666666667,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 81    coordinates: [  0.666666666666667,  0.666666666666667,  0.106636880000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 82    coordinates: [  0.222222223333333,  0.111111110000000,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 83    coordinates: [  0.555555556666667,  0.111111110000000,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 84    coordinates: [  0.888888890000000,  0.111111110000000,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 85    coordinates: [  0.222222223333333,  0.444444443333333,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 86    coordinates: [  0.555555556666667,  0.444444443333333,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 87    coordinates: [  0.888888890000000,  0.444444443333333,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 88    coordinates: [  0.222222223333333,  0.777777776666667,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 89    coordinates: [  0.555555556666667,  0.777777776666667,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 90    coordinates: [  0.888888890000000,  0.777777776666667,  0.226696460000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 91    coordinates: [  0.222222223333333,  0.111111110000000,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 92    coordinates: [  0.555555556666667,  0.111111110000000,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 93    coordinates: [  0.888888890000000,  0.111111110000000,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 94    coordinates: [  0.222222223333333,  0.444444443333333,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 95    coordinates: [  0.555555556666667,  0.444444443333333,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 96    coordinates: [  0.888888890000000,  0.444444443333333,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 97    coordinates: [  0.222222223333333,  0.777777776666667,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 98    coordinates: [  0.555555556666667,  0.777777776666667,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 99    coordinates: [  0.888888890000000,  0.777777776666667,  0.439970210000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 100    coordinates: [  0.111111110000000,  0.222222223333333,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 101    coordinates: [  0.444444443333333,  0.222222223333333,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 102    coordinates: [  0.777777776666667,  0.222222223333333,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 103    coordinates: [  0.111111110000000,  0.555555556666667,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 104    coordinates: [  0.444444443333333,  0.555555556666667,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 105    coordinates: [  0.777777776666667,  0.555555556666667,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 106    coordinates: [  0.111111110000000,  0.888888890000000,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 107    coordinates: [  0.444444443333333,  0.888888890000000,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 108    coordinates: [  0.777777776666667,  0.888888890000000,  0.560029790000000 ]    mass: 15.999400    reduced_to: 64born_effective_charge:- # 1 (Ho)  - [  4.304682430000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  4.304682430000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  3.422162470000000 ]- # 2 (Cu)  - [  0.000144910000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000144910000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.308856800000000 ]- # 3 (O)  - [ -2.152413670000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.152413670000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.365509630000000 ]- # 4 (O)  - [ -2.152413670000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.152413670000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.365509630000000 ]dielectric_constant:  - [  5.310530700000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  5.310530700000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.639413720000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1703497800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0397732000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0392133900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002895300000000, -0.0226038400000000, -0.0045957100000000 ]  - [   0.0002173100000000,  0.0227036400000000,  0.0046229700000000 ]  - [   0.0048538000000000,  0.0000149900000000, -0.0000034200000000 ]  - [   0.0002173100000000, -0.0227036400000000, -0.0046229700000000 ]  - [   0.0048538000000000, -0.0000149900000000,  0.0000034200000000 ]  - [   0.0002895300000000,  0.0226038400000000,  0.0045957100000000 ]  - [  -0.0006615300000000, -0.0014367700000000, -0.0011949500000000 ]  - [  -0.0006819500000000,  0.0014408400000000,  0.0011861200000000 ]  - [   0.0012937200000000,  0.0000032400000000, -0.0000031500000000 ]  - [  -0.0001413200000000, -0.0008269300000000, -0.0001945800000000 ]  - [   0.0002776100000000, -0.0000084500000000, -0.0000048100000000 ]  - [  -0.0001429800000000,  0.0008271200000000,  0.0001896800000000 ]  - [  -0.0031592900000000,  0.0000049400000000, -0.0000001200000000 ]  - [   0.0015909100000000, -0.0007647700000000,  0.0011288500000000 ]  - [   0.0015954600000000,  0.0007600300000000, -0.0011326000000000 ]  - [  -0.0006615300000000,  0.0014367700000000,  0.0011949500000000 ]  - [  -0.0006819500000000, -0.0014408400000000, -0.0011861200000000 ]  - [   0.0012937200000000, -0.0000032400000000,  0.0000031500000000 ]  - [   0.0015954600000000, -0.0007600300000000,  0.0011326000000000 ]  - [  -0.0031592900000000, -0.0000049400000000,  0.0000001200000000 ]  - [   0.0015909100000000,  0.0007647700000000, -0.0011288500000000 ]  - [   0.0002776100000000,  0.0000084500000000,  0.0000048100000000 ]  - [  -0.0001429800000000, -0.0008271200000000, -0.0001896800000000 ]  - [  -0.0001413200000000,  0.0008269300000000,  0.0001945800000000 ]  - [   0.0005637500000000, -0.0001500300000000,  0.0093066500000000 ]  - [   0.0006133100000000,  0.0001120700000000, -0.0093266400000000 ]  - [  -0.0001913800000000, -0.0000788300000000, -0.0000019500000000 ]  - [   0.0000906900000000,  0.0003221700000000, -0.0000536800000000 ]  - [  -0.0000512500000000,  0.0002301900000000, -0.0000020500000000 ]  - [  -0.0000272200000000,  0.0000631200000000,  0.0000514500000000 ]  - [   0.0003628100000000, -0.0001210200000000,  0.0000296800000000 ]  - [  -0.0000903300000000, -0.0001259000000000, -0.0011341400000000 ]  - [  -0.0001737000000000, -0.0002181500000000,  0.0011240000000000 ]  - [   0.0005637500000000,  0.0001500300000000, -0.0093066500000000 ]  - [   0.0006133100000000, -0.0001120700000000,  0.0093266400000000 ]  - [  -0.0001913800000000,  0.0000788300000000,  0.0000019500000000 ]  - [  -0.0001737000000000,  0.0002181500000000, -0.0011240000000000 ]  - [   0.0003628100000000,  0.0001210200000000, -0.0000296800000000 ]  - [  -0.0000903300000000,  0.0001259000000000,  0.0011341400000000 ]  - [  -0.0000512500000000, -0.0002301900000000,  0.0000020500000000 ]  - [  -0.0000272200000000, -0.0000631200000000, -0.0000514500000000 ]  - [   0.0000906900000000, -0.0003221700000000,  0.0000536800000000 ]  - [   0.0001420100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000565800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000774500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000242800000000, -0.0000948000000000,  0.0000086600000000 ]  - [   0.0000750000000000, -0.0002300500000000, -0.0000083800000000 ]  - [  -0.0001032300000000, -0.0001832400000000, -0.0000008100000000 ]  - [   0.0000750000000000,  0.0002300500000000,  0.0000083800000000 ]  - [  -0.0001032300000000,  0.0001832400000000,  0.0000008100000000 ]  - [   0.0000242800000000,  0.0000948000000000, -0.0000086600000000 ]  - [   0.0205016600000000, -0.0047495500000000,  0.0049531600000000 ]  - [   0.0217991200000000,  0.0055133800000000, -0.0064631900000000 ]  - [  -0.0081571400000000, -0.0000091500000000, -0.0003442500000000 ]  - [  -0.0012588400000000,  0.0039886300000000,  0.0006579500000000 ]  - [   0.0027921900000000,  0.0000057700000000, -0.0003801500000000 ]  - [  -0.0012433100000000, -0.0039831600000000, -0.0013634600000000 ]  - [   0.0122644300000000,  0.0000826200000000, -0.0003040000000000 ]  - [  -0.0037751900000000,  0.0038085900000000,  0.0017781600000000 ]  - [  -0.0037594900000000, -0.0037688900000000, -0.0024916100000000 ]  - [   0.0205016600000000,  0.0047495500000000, -0.0049531600000000 ]  - [   0.0217991200000000, -0.0055133800000000,  0.0064631900000000 ]  - [  -0.0081571400000000,  0.0000091500000000,  0.0003442500000000 ]  - [  -0.0037594900000000,  0.0037688900000000,  0.0024916100000000 ]  - [   0.0122644300000000, -0.0000826200000000,  0.0003040000000000 ]  - [  -0.0037751900000000, -0.0038085900000000, -0.0017781600000000 ]  - [   0.0027921900000000, -0.0000057700000000,  0.0003801500000000 ]  - [  -0.0012433100000000,  0.0039831600000000,  0.0013634600000000 ]  - [  -0.0012588400000000, -0.0039886300000000, -0.0006579500000000 ]  - [   0.0004512900000000,  0.0000105100000000,  0.0034134800000000 ]  - [   0.0004429600000000, -0.0000094000000000, -0.0041083600000000 ]  - [  -0.0007163500000000, -0.0000033400000000, -0.0003561800000000 ]  - [  -0.0002574200000000,  0.0002282100000000,  0.0004374900000000 ]  - [   0.0004301900000000,  0.0000020700000000, -0.0003451800000000 ]  - [  -0.0002574200000000, -0.0002280100000000, -0.0011729000000000 ]  - [   0.0001377600000000,  0.0000020700000000, -0.0003783700000000 ]  - [  -0.0000692700000000,  0.0003744900000000, -0.0006406200000000 ]  - [  -0.0000733900000000, -0.0003705000000000, -0.0000712600000000 ]  - [   0.0007520100000000, -0.0000015500000000,  0.0003609100000000 ]  - [  -0.0003828100000000, -0.0001411300000000,  0.0000380100000000 ]  - [  -0.0003855600000000,  0.0001356100000000,  0.0006770500000000 ]  - [   0.0000757500000000,  0.0003616000000000,  0.0004873300000000 ]  - [   0.0000720600000000, -0.0003603100000000,  0.0002358300000000 ]  - [  -0.0001372400000000,  0.0000004400000000,  0.0003390500000000 ]  - [   0.0002770600000000,  0.0002871500000000,  0.0001749700000000 ]  - [  -0.0005467100000000,  0.0000015200000000,  0.0003383400000000 ]  - [   0.0002773000000000, -0.0002848500000000,  0.0005478700000000 ]  - [   0.0007520100000000,  0.0000015500000000, -0.0003609100000000 ]  - [  -0.0003828100000000,  0.0001411300000000, -0.0000380100000000 ]  - [  -0.0003855600000000, -0.0001356100000000, -0.0006770500000000 ]  - [   0.0002773000000000,  0.0002848500000000, -0.0005478700000000 ]  - [   0.0002770600000000, -0.0002871500000000, -0.0001749700000000 ]  - [  -0.0005467100000000, -0.0000015200000000, -0.0003383400000000 ]  - [   0.0000720600000000,  0.0003603100000000, -0.0002358300000000 ]  - [  -0.0001372400000000, -0.0000004400000000, -0.0003390500000000 ]  - [   0.0000757500000000, -0.0003616000000000, -0.0004873300000000 ]  - [   0.0004512900000000, -0.0000105100000000, -0.0034134800000000 ]  - [   0.0004429600000000,  0.0000094000000000,  0.0041083600000000 ]  - [  -0.0007163500000000,  0.0000033400000000,  0.0003561800000000 ]  - [  -0.0000733900000000,  0.0003705000000000,  0.0000712600000000 ]  - [   0.0001377600000000, -0.0000020700000000,  0.0003783700000000 ]  - [  -0.0000692700000000, -0.0003744900000000,  0.0006406200000000 ]  - [   0.0004301900000000, -0.0000020700000000,  0.0003451800000000 ]  - [  -0.0002574200000000,  0.0002280100000000,  0.0011729000000000 ]  - [  -0.0002574200000000, -0.0002282100000000, -0.0004374900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0727174500000000 ]  - [  -0.0000638500000000,  0.0053223200000000, -0.0136435300000000 ]  - [   0.0000638500000000,  0.0053223200000000, -0.0136435300000000 ]  - [  -0.0045773400000000, -0.0027164500000000, -0.0136435300000000 ]  - [   0.0045773400000000, -0.0027164500000000, -0.0136435300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045773700000000 ]  - [  -0.0046411900000000, -0.0026058700000000, -0.0136435300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045816200000000 ]  - [   0.0046411900000000, -0.0026058700000000, -0.0136435300000000 ]  - [  -0.0012029500000000,  0.0006945300000000,  0.0034544600000000 ]  - [   0.0012029500000000,  0.0006945300000000,  0.0034544600000000 ]  - [   0.0000000000000000,  0.0002221200000000,  0.0020917300000000 ]  - [  -0.0001923600000000, -0.0001110600000000,  0.0020917300000000 ]  - [   0.0000000000000000,  0.0013053600000000,  0.0030637500000000 ]  - [   0.0001923600000000, -0.0001110600000000,  0.0020917300000000 ]  - [   0.0000000000000000, -0.0013890500000000,  0.0034544600000000 ]  - [   0.0011304800000000, -0.0006526800000000,  0.0030637500000000 ]  - [  -0.0011304800000000, -0.0006526800000000,  0.0030637500000000 ]  - [   0.0011898100000000,  0.0006869400000000,  0.0034514800000000 ]  - [  -0.0011898100000000,  0.0006869400000000,  0.0034514800000000 ]  - [   0.0000000000000000,  0.0002263500000000,  0.0020981100000000 ]  - [   0.0011360400000000, -0.0006558900000000,  0.0030608500000000 ]  - [   0.0000000000000000, -0.0013738800000000,  0.0034514800000000 ]  - [  -0.0011360400000000, -0.0006558900000000,  0.0030608500000000 ]  - [   0.0000000000000000,  0.0013117800000000,  0.0030608500000000 ]  - [  -0.0001960200000000, -0.0001131700000000,  0.0020981100000000 ]  - [   0.0001960200000000, -0.0001131700000000,  0.0020981100000000 ]  - [   0.0003118600000000, -0.0001800500000000,  0.0049552900000000 ]  - [  -0.0003118600000000, -0.0001800500000000,  0.0049552900000000 ]  - [   0.0000000000000000, -0.0002902900000000, -0.0005019400000000 ]  - [   0.0002514000000000,  0.0001451500000000, -0.0005019400000000 ]  - [   0.0000000000000000, -0.0000444000000000, -0.0004892100000000 ]  - [  -0.0002514000000000,  0.0001451500000000, -0.0005019400000000 ]  - [   0.0000000000000000,  0.0003601100000000,  0.0049552900000000 ]  - [  -0.0000384500000000,  0.0000222000000000, -0.0004892100000000 ]  - [   0.0000384500000000,  0.0000222000000000, -0.0004892100000000 ]  - [  -0.0003818800000000, -0.0002204800000000,  0.0049612100000000 ]  - [   0.0003818800000000, -0.0002204800000000,  0.0049612100000000 ]  - [   0.0000000000000000, -0.0000486400000000, -0.0005069300000000 ]  - [  -0.0003168900000000,  0.0001829600000000, -0.0004963700000000 ]  - [   0.0000000000000000,  0.0004409500000000,  0.0049612100000000 ]  - [   0.0003168900000000,  0.0001829600000000, -0.0004963700000000 ]  - [   0.0000000000000000, -0.0003659200000000, -0.0004963700000000 ]  - [   0.0000421300000000,  0.0000243200000000, -0.0005069300000000 ]  - [  -0.0000421300000000,  0.0000243200000000, -0.0005069300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012834000000000 ]  - [  -0.0000841600000000,  0.0001923700000000,  0.0010889600000000 ]  - [   0.0000841600000000,  0.0001923700000000,  0.0010889600000000 ]  - [  -0.0001245200000000, -0.0001690700000000,  0.0010889600000000 ]  - [   0.0001245200000000, -0.0001690700000000,  0.0010889600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009939600000000 ]  - [  -0.0002086800000000, -0.0000233000000000,  0.0010889600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009960000000000 ]  - [   0.0002086800000000, -0.0000233000000000,  0.0010889600000000 ]  - [   0.0113277300000000, -0.0065400700000000,  0.0159315000000000 ]  - [  -0.0113277300000000, -0.0065400700000000,  0.0159315000000000 ]  - [   0.0000000000000000, -0.0006659100000000,  0.0034102700000000 ]  - [   0.0005767000000000,  0.0003329600000000,  0.0034102700000000 ]  - [   0.0000000000000000,  0.0005810700000000,  0.0037493900000000 ]  - [  -0.0005767000000000,  0.0003329600000000,  0.0034102700000000 ]  - [   0.0000000000000000,  0.0130801400000000,  0.0159315000000000 ]  - [   0.0005032200000000, -0.0002905400000000,  0.0037493900000000 ]  - [  -0.0005032200000000, -0.0002905400000000,  0.0037493900000000 ]  - [  -0.0117585000000000, -0.0067887700000000,  0.0168034300000000 ]  - [   0.0117585000000000, -0.0067887700000000,  0.0168034300000000 ]  - [   0.0000000000000000, -0.0006759500000000,  0.0042109200000000 ]  - [   0.0004973500000000, -0.0002871500000000,  0.0045490900000000 ]  - [   0.0000000000000000,  0.0135775400000000,  0.0168034300000000 ]  - [  -0.0004973500000000, -0.0002871500000000,  0.0045490900000000 ]  - [   0.0000000000000000,  0.0005743000000000,  0.0045490900000000 ]  - [   0.0005853900000000,  0.0003379700000000,  0.0042109200000000 ]  - [  -0.0005853900000000,  0.0003379700000000,  0.0042109200000000 ]  - [  -0.0000870300000000, -0.0000502500000000, -0.0035203500000000 ]  - [   0.0000870300000000, -0.0000502500000000, -0.0035203500000000 ]  - [   0.0000000000000000, -0.0001315300000000, -0.0015397900000000 ]  - [   0.0004236300000000, -0.0002445800000000, -0.0014383200000000 ]  - [   0.0000000000000000,  0.0001004900000000, -0.0035203500000000 ]  - [  -0.0004236300000000, -0.0002445800000000, -0.0014383200000000 ]  - [   0.0000000000000000,  0.0004891600000000, -0.0014383200000000 ]  - [   0.0001139100000000,  0.0000657700000000, -0.0015397900000000 ]  - [  -0.0001139100000000,  0.0000657700000000, -0.0015397900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020088500000000 ]  - [  -0.0003993700000000, -0.0000536900000000, -0.0015754800000000 ]  - [   0.0003993700000000, -0.0000536900000000, -0.0015754800000000 ]  - [   0.0002461800000000, -0.0003190200000000, -0.0015754800000000 ]  - [  -0.0002461800000000, -0.0003190200000000, -0.0015754800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012903000000000 ]  - [  -0.0001531900000000,  0.0003727100000000, -0.0015754800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014984200000000 ]  - [   0.0001531900000000,  0.0003727100000000, -0.0015754800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028034000000000 ]  - [   0.0003926400000000, -0.0000509000000000, -0.0023539400000000 ]  - [  -0.0003926400000000, -0.0000509000000000, -0.0023539400000000 ]  - [  -0.0001522400000000,  0.0003654900000000, -0.0023539400000000 ]  - [   0.0001522400000000,  0.0003654900000000, -0.0023539400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022522600000000 ]  - [   0.0002404000000000, -0.0003145900000000, -0.0023539400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020501100000000 ]  - [  -0.0002404000000000, -0.0003145900000000, -0.0023539400000000 ]  - [   0.0000806200000000, -0.0000465500000000, -0.0027445800000000 ]  - [  -0.0000806200000000, -0.0000465500000000, -0.0027445800000000 ]  - [   0.0000000000000000, -0.0001291900000000, -0.0007545900000000 ]  - [   0.0001118800000000,  0.0000645900000000, -0.0007545900000000 ]  - [   0.0000000000000000,  0.0004809600000000, -0.0006626000000000 ]  - [  -0.0001118800000000,  0.0000645900000000, -0.0007545900000000 ]  - [   0.0000000000000000,  0.0000930900000000, -0.0027445800000000 ]  - [   0.0004165200000000, -0.0002404800000000, -0.0006626000000000 ]  - [  -0.0004165200000000, -0.0002404800000000, -0.0006626000000000 ]- atom:   28  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0005470200000000, -0.0001597000000000,  0.0002328800000000 ]  - [  -0.0001922500000000, -0.0000025200000000,  0.0000106800000000 ]  - [   0.0006250000000000,  0.0001996800000000, -0.0002396500000000 ]  - [   0.0002792500000000, -0.0000316500000000, -0.0000004500000000 ]  - [  -0.0000990600000000, -0.0000933900000000,  0.0001876600000000 ]  - [  -0.0000875900000000,  0.0000918100000000, -0.0001676700000000 ]  - [  -0.0000315300000000,  0.0000929700000000,  0.0000450700000000 ]  - [  -0.0000357200000000, -0.0000953100000000, -0.0000283400000000 ]  - [   0.0000715200000000,  0.0000059700000000,  0.0000086900000000 ]  - [   0.0001074900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000533200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000565800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000165800000000,  0.0000413300000000,  0.0000105400000000 ]  - [   0.0000196700000000, -0.0000428800000000, -0.0000118500000000 ]  - [  -0.0000492700000000, -0.0000020600000000,  0.0000007100000000 ]  - [   0.0000196700000000,  0.0000428800000000,  0.0000118500000000 ]  - [  -0.0000492700000000,  0.0000020600000000, -0.0000007100000000 ]  - [   0.0000165800000000, -0.0000413300000000, -0.0000105400000000 ]  - [   0.0002792500000000,  0.0000316500000000,  0.0000004500000000 ]  - [  -0.0000990600000000,  0.0000933900000000, -0.0001876600000000 ]  - [  -0.0000875900000000, -0.0000918100000000,  0.0001676700000000 ]  - [   0.0006250000000000, -0.0001996800000000,  0.0002396500000000 ]  - [   0.0005470200000000,  0.0001597000000000, -0.0002328800000000 ]  - [  -0.0001922500000000,  0.0000025200000000, -0.0000106800000000 ]  - [  -0.0000357200000000,  0.0000953100000000,  0.0000283400000000 ]  - [   0.0000715200000000, -0.0000059700000000, -0.0000086900000000 ]  - [  -0.0000315300000000, -0.0000929700000000, -0.0000450700000000 ]  - [  -0.0172356300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0038201400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0031868000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004531100000000,  0.0017653200000000,  0.0001668700000000 ]  - [  -0.0008034700000000, -0.0015519000000000, -0.0001697200000000 ]  - [   0.0000336900000000,  0.0003727400000000,  0.0000003900000000 ]  - [  -0.0008034700000000,  0.0015519000000000,  0.0001697200000000 ]  - [   0.0000336900000000, -0.0003727400000000, -0.0000003900000000 ]  - [  -0.0004531100000000, -0.0017653200000000, -0.0001668700000000 ]  - [  -0.0000287600000000,  0.0001532900000000, -0.0000036800000000 ]  - [   0.0003926800000000,  0.0000863200000000, -0.0000667500000000 ]  - [  -0.0002724600000000,  0.0001344900000000,  0.0000631700000000 ]  - [  -0.0000236200000000,  0.0000656900000000,  0.0001011700000000 ]  - [   0.0001502200000000,  0.0001716100000000, -0.0001076600000000 ]  - [  -0.0000076500000000, -0.0002159300000000, -0.0000019400000000 ]  - [   0.0001977700000000, -0.0002035800000000, -0.0000014800000000 ]  - [   0.0000176200000000,  0.0000138000000000, -0.0000014900000000 ]  - [  -0.0002119500000000, -0.0002055400000000, -0.0000002200000000 ]  - [   0.0001502200000000, -0.0001716100000000,  0.0001076600000000 ]  - [  -0.0000076500000000,  0.0002159300000000,  0.0000019400000000 ]  - [  -0.0000236200000000, -0.0000656900000000, -0.0001011700000000 ]  - [  -0.0000287600000000, -0.0001532900000000,  0.0000036800000000 ]  - [   0.0003926800000000, -0.0000863200000000,  0.0000667500000000 ]  - [  -0.0002724600000000, -0.0001344900000000, -0.0000631700000000 ]  - [  -0.0002119500000000,  0.0002055400000000,  0.0000002200000000 ]  - [   0.0001977700000000,  0.0002035800000000,  0.0000014800000000 ]  - [   0.0000176200000000, -0.0000138000000000,  0.0000014900000000 ]  - [   0.0073786500000000, -0.0000118600000000, -0.0006447200000000 ]  - [   0.0010968700000000,  0.0001841100000000,  0.0004341700000000 ]  - [   0.0010724100000000, -0.0001808000000000, -0.0012157800000000 ]  - [   0.0001851300000000, -0.0003797300000000, -0.0008400200000000 ]  - [   0.0001970400000000,  0.0003849700000000,  0.0000631700000000 ]  - [   0.0000209100000000, -0.0000008200000000, -0.0003911500000000 ]  - [   0.0001518500000000, -0.0006773700000000, -0.0000546400000000 ]  - [   0.0000445800000000,  0.0000031700000000, -0.0003885000000000 ]  - [   0.0001442800000000,  0.0006691200000000, -0.0007214900000000 ]  - [  -0.0001997200000000, -0.0000146800000000,  0.0003797800000000 ]  - [   0.0004270700000000, -0.0002179200000000,  0.0007947500000000 ]  - [   0.0004296100000000,  0.0002134600000000,  0.0000023500000000 ]  - [   0.0005323700000000, -0.0004241800000000, -0.0001003500000000 ]  - [   0.0005546800000000,  0.0004327700000000,  0.0008863800000000 ]  - [   0.0000736100000000,  0.0000020400000000,  0.0003668100000000 ]  - [  -0.0000058000000000, -0.0000472400000000,  0.0004016300000000 ]  - [   0.0000532600000000,  0.0000049500000000,  0.0003872200000000 ]  - [  -0.0000058800000000,  0.0000450700000000,  0.0003624000000000 ]  - [  -0.0000205700000000,  0.0000012900000000, -0.0003689600000000 ]  - [  -0.0000108800000000, -0.0000058100000000, -0.0003729500000000 ]  - [  -0.0000018500000000,  0.0000021800000000, -0.0004221500000000 ]  - [  -0.0000315800000000,  0.0000067500000000, -0.0004512700000000 ]  - [  -0.0000326900000000, -0.0000073600000000, -0.0003299800000000 ]  - [   0.0000243200000000,  0.0000044200000000, -0.0003674100000000 ]  - [   0.0000027100000000, -0.0000121600000000, -0.0003939200000000 ]  - [  -0.0000134400000000,  0.0000000200000000, -0.0003833100000000 ]  - [   0.0000009800000000,  0.0000135600000000, -0.0003710900000000 ]  - [  -0.0000326900000000,  0.0000073600000000,  0.0003299800000000 ]  - [   0.0000243200000000, -0.0000044200000000,  0.0003674100000000 ]  - [  -0.0000315800000000, -0.0000067500000000,  0.0004512700000000 ]  - [  -0.0000205700000000, -0.0000012900000000,  0.0003689600000000 ]  - [  -0.0000108800000000,  0.0000058100000000,  0.0003729500000000 ]  - [  -0.0000018500000000, -0.0000021800000000,  0.0004221500000000 ]  - [   0.0000009800000000, -0.0000135600000000,  0.0003710900000000 ]  - [   0.0000027100000000,  0.0000121600000000,  0.0003939200000000 ]  - [  -0.0000134400000000, -0.0000000200000000,  0.0003833100000000 ]  - [   0.0005546800000000, -0.0004327700000000, -0.0008863800000000 ]  - [   0.0000736100000000, -0.0000020400000000, -0.0003668100000000 ]  - [   0.0005323700000000,  0.0004241800000000,  0.0001003500000000 ]  - [  -0.0001997200000000,  0.0000146800000000, -0.0003797800000000 ]  - [   0.0004270700000000,  0.0002179200000000, -0.0007947500000000 ]  - [   0.0004296100000000, -0.0002134600000000, -0.0000023500000000 ]  - [  -0.0000058800000000, -0.0000450700000000, -0.0003624000000000 ]  - [  -0.0000058000000000,  0.0000472400000000, -0.0004016300000000 ]  - [   0.0000532600000000, -0.0000049500000000, -0.0003872200000000 ]  - [   0.0073786500000000,  0.0000118600000000,  0.0006447200000000 ]  - [   0.0010968700000000, -0.0001841100000000, -0.0004341700000000 ]  - [   0.0010724100000000,  0.0001808000000000,  0.0012157800000000 ]  - [   0.0001442800000000, -0.0006691200000000,  0.0007214900000000 ]  - [   0.0001518500000000,  0.0006773700000000,  0.0000546400000000 ]  - [   0.0000445800000000, -0.0000031700000000,  0.0003885000000000 ]  - [   0.0001970400000000, -0.0003849700000000, -0.0000631700000000 ]  - [   0.0000209100000000,  0.0000008200000000,  0.0003911500000000 ]  - [   0.0001851300000000,  0.0003797300000000,  0.0008400200000000 ]- atom:   28  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0093399700000000, -0.0053924400000000,  0.0049792900000000 ]  - [   0.0000000000000000,  0.0000592500000000, -0.0005163300000000 ]  - [  -0.0093399700000000, -0.0053924400000000,  0.0049792900000000 ]  - [   0.0000000000000000,  0.0107848700000000,  0.0049792900000000 ]  - [   0.0011256600000000,  0.0006499000000000, -0.0005057100000000 ]  - [  -0.0011256600000000,  0.0006499000000000, -0.0005057100000000 ]  - [  -0.0000513200000000, -0.0000296300000000, -0.0005163300000000 ]  - [   0.0000513200000000, -0.0000296300000000, -0.0005163300000000 ]  - [   0.0000000000000000, -0.0012998000000000, -0.0005057100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012618200000000 ]  - [   0.0000008800000000, -0.0000084400000000,  0.0010701100000000 ]  - [  -0.0000008800000000, -0.0000084400000000,  0.0010701100000000 ]  - [   0.0000068700000000,  0.0000049800000000,  0.0010701100000000 ]  - [  -0.0000068700000000,  0.0000049800000000,  0.0010701100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009770000000000 ]  - [   0.0000077500000000,  0.0000034600000000,  0.0010701100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009714500000000 ]  - [  -0.0000077500000000,  0.0000034600000000,  0.0010701100000000 ]  - [   0.0000000000000000,  0.0107310500000000,  0.0049088500000000 ]  - [  -0.0011333500000000,  0.0006543400000000, -0.0005037500000000 ]  - [   0.0011333500000000,  0.0006543400000000, -0.0005037500000000 ]  - [   0.0092933600000000, -0.0053655200000000,  0.0049088500000000 ]  - [  -0.0092933600000000, -0.0053655200000000,  0.0049088500000000 ]  - [   0.0000000000000000,  0.0000642900000000, -0.0005171600000000 ]  - [  -0.0000556800000000, -0.0000321500000000, -0.0005171600000000 ]  - [   0.0000000000000000, -0.0013086800000000, -0.0005037500000000 ]  - [   0.0000556800000000, -0.0000321500000000, -0.0005171600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3065716100000000 ]  - [  -0.0000721900000000, -0.0004007900000000, -0.0007088900000000 ]  - [   0.0000721900000000, -0.0004007900000000, -0.0007088900000000 ]  - [   0.0003831900000000,  0.0001378800000000, -0.0007088900000000 ]  - [  -0.0003831900000000,  0.0001378800000000, -0.0007088900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004855900000000 ]  - [   0.0003110000000000,  0.0002629100000000, -0.0007088900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004862400000000 ]  - [  -0.0003110000000000,  0.0002629100000000, -0.0007088900000000 ]  - [   0.0000000000000000, -0.0000373000000000,  0.0006783100000000 ]  - [   0.0000718400000000, -0.0000414800000000,  0.0003829100000000 ]  - [  -0.0000718400000000, -0.0000414800000000,  0.0003829100000000 ]  - [  -0.0000323000000000,  0.0000186500000000,  0.0006783100000000 ]  - [   0.0000323000000000,  0.0000186500000000,  0.0006783100000000 ]  - [   0.0000000000000000,  0.0000035800000000,  0.0002183000000000 ]  - [  -0.0000031000000000, -0.0000017900000000,  0.0002183000000000 ]  - [   0.0000000000000000,  0.0000829600000000,  0.0003829100000000 ]  - [   0.0000031000000000, -0.0000017900000000,  0.0002183000000000 ]  - [   0.0000265700000000, -0.0000153400000000,  0.0006791000000000 ]  - [   0.0000000000000000,  0.0002459300000000,  0.0002212600000000 ]  - [  -0.0000265700000000, -0.0000153400000000,  0.0006791000000000 ]  - [   0.0000000000000000,  0.0000306800000000,  0.0006791000000000 ]  - [   0.0002027500000000,  0.0001170600000000,  0.0003865200000000 ]  - [  -0.0002027500000000,  0.0001170600000000,  0.0003865200000000 ]  - [  -0.0002129800000000, -0.0001229600000000,  0.0002212600000000 ]  - [   0.0002129800000000, -0.0001229600000000,  0.0002212600000000 ]  - [   0.0000000000000000, -0.0002341200000000,  0.0003865200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1449359000000000 ]  - [  -0.0006787800000000, -0.0001289100000000,  0.0009682500000000 ]  - [   0.0006787800000000, -0.0001289100000000,  0.0009682500000000 ]  - [   0.0004510300000000, -0.0005233900000000,  0.0009682500000000 ]  - [  -0.0004510300000000, -0.0005233900000000,  0.0009682500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004386900000000 ]  - [  -0.0002277500000000,  0.0006523000000000,  0.0009682500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003145100000000 ]  - [   0.0002277500000000,  0.0006523000000000,  0.0009682500000000 ]  - [   0.0000000000000000,  0.0018008700000000, -0.0014674800000000 ]  - [  -0.0013446300000000,  0.0007763200000000, -0.0003838300000000 ]  - [   0.0013446300000000,  0.0007763200000000, -0.0003838300000000 ]  - [   0.0015596000000000, -0.0009004300000000, -0.0014674800000000 ]  - [  -0.0015596000000000, -0.0009004300000000, -0.0014674800000000 ]  - [   0.0000000000000000, -0.0000423500000000,  0.0002838100000000 ]  - [   0.0000366800000000,  0.0000211800000000,  0.0002838100000000 ]  - [   0.0000000000000000, -0.0015526400000000, -0.0003838300000000 ]  - [  -0.0000366800000000,  0.0000211800000000,  0.0002838100000000 ]  - [   0.0000000000000000, -0.0000226100000000, -0.0012540300000000 ]  - [   0.0000203000000000, -0.0000117200000000, -0.0011004600000000 ]  - [  -0.0000203000000000, -0.0000117200000000, -0.0011004600000000 ]  - [  -0.0000195800000000,  0.0000113100000000, -0.0012540300000000 ]  - [   0.0000195800000000,  0.0000113100000000, -0.0012540300000000 ]  - [   0.0000000000000000, -0.0000145000000000, -0.0010273300000000 ]  - [   0.0000125600000000,  0.0000072500000000, -0.0010273300000000 ]  - [   0.0000000000000000,  0.0000234400000000, -0.0011004600000000 ]  - [  -0.0000125600000000,  0.0000072500000000, -0.0010273300000000 ]  - [  -0.0000218600000000,  0.0000126200000000, -0.0005381300000000 ]  - [   0.0000000000000000, -0.0000151800000000, -0.0003101000000000 ]  - [   0.0000218600000000,  0.0000126200000000, -0.0005381300000000 ]  - [   0.0000000000000000, -0.0000252400000000, -0.0005381300000000 ]  - [  -0.0000233000000000, -0.0000134500000000, -0.0003651300000000 ]  - [   0.0000233000000000, -0.0000134500000000, -0.0003651300000000 ]  - [   0.0000131400000000,  0.0000075900000000, -0.0003101000000000 ]  - [  -0.0000131400000000,  0.0000075900000000, -0.0003101000000000 ]  - [   0.0000000000000000,  0.0000269100000000, -0.0003651300000000 ]  - [   0.0015662800000000, -0.0009042900000000, -0.0021826700000000 ]  - [   0.0000000000000000, -0.0000437900000000, -0.0004365600000000 ]  - [  -0.0015662800000000, -0.0009042900000000, -0.0021826700000000 ]  - [   0.0000000000000000,  0.0018085800000000, -0.0021826700000000 ]  - [   0.0013390800000000,  0.0007731200000000, -0.0011201200000000 ]  - [  -0.0013390800000000,  0.0007731200000000, -0.0011201200000000 ]  - [   0.0000379300000000,  0.0000219000000000, -0.0004365600000000 ]  - [  -0.0000379300000000,  0.0000219000000000, -0.0004365600000000 ]  - [   0.0000000000000000, -0.0015462300000000, -0.0011201200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1368104600000000 ]  - [   0.0006804400000000, -0.0001295000000000,  0.0016901100000000 ]  - [  -0.0006804400000000, -0.0001295000000000,  0.0016901100000000 ]  - [  -0.0002280700000000,  0.0006540300000000,  0.0016901100000000 ]  - [   0.0002280700000000,  0.0006540300000000,  0.0016901100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010310100000000 ]  - [   0.0004523700000000, -0.0005245300000000,  0.0016901100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011564700000000 ]  - [  -0.0004523700000000, -0.0005245300000000,  0.0016901100000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0217130100000000, -0.0055451900000000,  0.0120155600000000 ]  - [  -0.0081556500000000,  0.0000030800000000,  0.0000034800000000 ]  - [   0.0205773900000000,  0.0047186700000000, -0.0110810300000000 ]  - [   0.0122633900000000, -0.0000180600000000, -0.0000056900000000 ]  - [  -0.0037693600000000, -0.0038063500000000, -0.0004980500000000 ]  - [  -0.0037716000000000,  0.0037652800000000,  0.0005023600000000 ]  - [  -0.0012598700000000,  0.0040078300000000,  0.0005880500000000 ]  - [  -0.0012454600000000, -0.0039657700000000, -0.0005754700000000 ]  - [   0.0027890900000000,  0.0000038600000000,  0.0000075000000000 ]  - [   0.0007498000000000,  0.0000022800000000, -0.0000082600000000 ]  - [  -0.0003816600000000, -0.0000945200000000, -0.0004046400000000 ]  - [  -0.0003895100000000,  0.0000962200000000,  0.0003873900000000 ]  - [   0.0000693500000000,  0.0004018300000000,  0.0002350500000000 ]  - [   0.0000783800000000, -0.0004081200000000, -0.0002510800000000 ]  - [  -0.0001416500000000, -0.0000043800000000, -0.0000089100000000 ]  - [   0.0002798100000000,  0.0002429300000000, -0.0001613800000000 ]  - [  -0.0005525800000000,  0.0000066700000000, -0.0000081100000000 ]  - [   0.0002750100000000, -0.0002428800000000,  0.0001438200000000 ]  - [   0.0004294300000000, -0.0000201200000000, -0.0000112100000000 ]  - [  -0.0002568600000000,  0.0002275600000000,  0.0004209300000000 ]  - [  -0.0002627200000000, -0.0002275700000000, -0.0004194500000000 ]  - [   0.0004313600000000, -0.0000064500000000,  0.0000716500000000 ]  - [   0.0004632700000000,  0.0000170000000000, -0.0000930900000000 ]  - [  -0.0007230600000000, -0.0000009800000000,  0.0000029000000000 ]  - [  -0.0000781900000000,  0.0003786500000000,  0.0001116200000000 ]  - [   0.0001368900000000,  0.0000056800000000, -0.0000019700000000 ]  - [  -0.0000682200000000, -0.0003743200000000, -0.0001123000000000 ]  - [   0.0073739300000000,  0.0000594100000000,  0.0004028700000000 ]  - [   0.0008207900000000, -0.0000226900000000,  0.0006881200000000 ]  - [   0.0013601000000000, -0.0002909000000000, -0.0006697000000000 ]  - [   0.0005314800000000, -0.0001464100000000, -0.0002257200000000 ]  - [  -0.0002356000000000,  0.0005760300000000,  0.0002255200000000 ]  - [   0.0000507400000000,  0.0003079600000000, -0.0000001600000000 ]  - [   0.0002184800000000, -0.0007128000000000,  0.0004572500000000 ]  - [   0.0000280700000000, -0.0004358700000000, -0.0000004000000000 ]  - [   0.0001635200000000,  0.0006909800000000, -0.0004493100000000 ]  - [  -0.0001969300000000,  0.0000012900000000, -0.0000047400000000 ]  - [   0.0007103400000000, -0.0002096300000000, -0.0013486000000000 ]  - [   0.0001513900000000,  0.0002119100000000,  0.0013336700000000 ]  - [   0.0004109000000000, -0.0001831700000000,  0.0015596300000000 ]  - [   0.0006919700000000,  0.0006805900000000, -0.0015653800000000 ]  - [   0.0000677500000000,  0.0000044200000000, -0.0000034500000000 ]  - [   0.0001320700000000, -0.0002903300000000,  0.0000374200000000 ]  - [   0.0000652700000000, -0.0000072300000000,  0.0000061200000000 ]  - [  -0.0001473600000000, -0.0002046600000000, -0.0000380900000000 ]  - [   0.0000045500000000,  0.0000152300000000, -0.0000202800000000 ]  - [   0.0000218200000000,  0.0004370500000000,  0.0000013100000000 ]  - [  -0.0000577600000000,  0.0000084500000000,  0.0000205200000000 ]  - [  -0.0000191900000000, -0.0003073500000000,  0.0000005000000000 ]  - [   0.0003803500000000, -0.0002186300000000, -0.0000205800000000 ]  - [  -0.0003861700000000, -0.0002196900000000,  0.0000226400000000 ]  - [  -0.0002697700000000,  0.0001474000000000,  0.0000132300000000 ]  - [   0.0002706000000000,  0.0001693800000000, -0.0000124600000000 ]  - [  -0.0000022900000000, -0.0000312900000000,  0.0000001200000000 ]  - [  -0.0842258800000000,  0.0008791800000000, -0.0017564100000000 ]  - [   0.0064880800000000,  0.0012701200000000, -0.0013860900000000 ]  - [   0.0064105000000000, -0.0012535900000000,  0.0006232100000000 ]  - [  -0.0000802900000000, -0.0025171800000000, -0.0005359300000000 ]  - [  -0.0000957400000000,  0.0025083100000000, -0.0002407600000000 ]  - [   0.0011323800000000,  0.0000053600000000, -0.0003759500000000 ]  - [  -0.0000919800000000, -0.0050570400000000, -0.0015730200000000 ]  - [   0.0011323600000000, -0.0000003300000000, -0.0003827500000000 ]  - [  -0.0000853100000000,  0.0050142100000000,  0.0007677900000000 ]  - [  -0.0079912500000000, -0.0000082400000000,  0.0003562600000000 ]  - [   0.0116034000000000, -0.0059825400000000,  0.0051941300000000 ]  - [   0.0115002400000000,  0.0059281600000000, -0.0043844900000000 ]  - [   0.0027574700000000, -0.0061646000000000, -0.0090493400000000 ]  - [   0.0027406400000000,  0.0062384200000000,  0.0098928600000000 ]  - [   0.0017886900000000,  0.0000062300000000,  0.0003919400000000 ]  - [  -0.0001320600000000, -0.0011065100000000,  0.0003864900000000 ]  - [   0.0012379700000000, -0.0000545300000000,  0.0003567500000000 ]  - [  -0.0001309300000000,  0.0011086800000000,  0.0003861500000000 ]  - [  -0.0001106200000000,  0.0000000800000000, -0.0003616900000000 ]  - [  -0.0000022200000000, -0.0000495700000000,  0.0002694600000000 ]  - [   0.0000039300000000,  0.0000448800000000, -0.0010292100000000 ]  - [  -0.0002199100000000,  0.0000635400000000, -0.0011961100000000 ]  - [  -0.0002284600000000, -0.0000680800000000,  0.0004360600000000 ]  - [   0.0002024900000000,  0.0000004500000000, -0.0003872500000000 ]  - [   0.0000338200000000, -0.0000953200000000, -0.0004310100000000 ]  - [  -0.0000808300000000, -0.0000003100000000, -0.0003807900000000 ]  - [   0.0000345900000000,  0.0001007700000000, -0.0003373200000000 ]  - [  -0.0001092300000000, -0.0000240000000000,  0.0004720700000000 ]  - [   0.0002117800000000, -0.0000080500000000,  0.0003723100000000 ]  - [  -0.0001083800000000,  0.0000237800000000,  0.0002894800000000 ]  - [  -0.0001508000000000, -0.0000031200000000,  0.0003627800000000 ]  - [   0.0000690600000000,  0.0000887000000000,  0.0004645500000000 ]  - [   0.0000804600000000, -0.0000800300000000,  0.0002884500000000 ]  - [   0.0000287500000000, -0.0001017200000000,  0.0003691200000000 ]  - [   0.0000331000000000,  0.0001075600000000,  0.0003588100000000 ]  - [  -0.0000720400000000,  0.0000008700000000,  0.0003744200000000 ]  - [  -0.0002240000000000,  0.0000689400000000, -0.0003452600000000 ]  - [   0.0002029000000000, -0.0000056500000000, -0.0003708500000000 ]  - [  -0.0002244700000000, -0.0000617000000000, -0.0004038600000000 ]  - [  -0.0001100100000000, -0.0000043000000000, -0.0003562900000000 ]  - [  -0.0000086300000000,  0.0000491100000000, -0.0003353700000000 ]  - [   0.0000087500000000, -0.0000469700000000, -0.0004079600000000 ]  - [   0.0000325700000000, -0.0000974100000000, -0.0004171500000000 ]  - [   0.0000361000000000,  0.0000957900000000, -0.0003059700000000 ]  - [  -0.0000828100000000, -0.0000011700000000, -0.0003705100000000 ]  - [  -0.0042041400000000, -0.0000024900000000,  0.0004095700000000 ]  - [  -0.0001183200000000,  0.0000446200000000, -0.0001884100000000 ]  - [  -0.0001034800000000, -0.0000463800000000,  0.0009276300000000 ]  - [  -0.0000404200000000, -0.0000075500000000,  0.0005398800000000 ]  - [  -0.0000327400000000, -0.0000006400000000,  0.0002371500000000 ]  - [   0.0000113900000000,  0.0000053000000000,  0.0003712300000000 ]  - [  -0.0001169400000000,  0.0000437600000000, -0.0000027100000000 ]  - [   0.0001768900000000,  0.0000029300000000,  0.0003780700000000 ]  - [  -0.0001152700000000, -0.0000430100000000,  0.0007761500000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0059302000000000, -0.0034238000000000,  0.0164149800000000 ]  - [   0.0000000000000000, -0.0011710500000000,  0.0038093400000000 ]  - [  -0.0059302000000000, -0.0034238000000000,  0.0164149800000000 ]  - [   0.0000000000000000,  0.0068476000000000,  0.0164149800000000 ]  - [  -0.0021198700000000, -0.0012239100000000,  0.0041642400000000 ]  - [   0.0021198700000000, -0.0012239100000000,  0.0041642400000000 ]  - [   0.0010141600000000,  0.0005855300000000,  0.0038093400000000 ]  - [  -0.0010141600000000,  0.0005855300000000,  0.0038093400000000 ]  - [   0.0000000000000000,  0.0024478200000000,  0.0041642400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023983700000000 ]  - [  -0.0003106100000000,  0.0000419300000000, -0.0019623500000000 ]  - [   0.0003106100000000,  0.0000419300000000, -0.0019623500000000 ]  - [   0.0001189900000000, -0.0002899600000000, -0.0019623500000000 ]  - [  -0.0001189900000000, -0.0002899600000000, -0.0019623500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016788900000000 ]  - [  -0.0001916200000000,  0.0002480300000000, -0.0019623500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018731000000000 ]  - [   0.0001916200000000,  0.0002480300000000, -0.0019623500000000 ]  - [   0.0000000000000000, -0.0043213000000000, -0.0031439000000000 ]  - [   0.0008102000000000, -0.0004677700000000, -0.0010636400000000 ]  - [  -0.0008102000000000, -0.0004677700000000, -0.0010636400000000 ]  - [  -0.0037423500000000,  0.0021606500000000, -0.0031439000000000 ]  - [   0.0037423500000000,  0.0021606500000000, -0.0031439000000000 ]  - [   0.0000000000000000,  0.0003319100000000, -0.0011446100000000 ]  - [  -0.0002874400000000, -0.0001659500000000, -0.0011446100000000 ]  - [   0.0000000000000000,  0.0009355400000000, -0.0010636400000000 ]  - [   0.0002874400000000, -0.0001659500000000, -0.0011446100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1364650800000000 ]  - [  -0.0008825100000000, -0.0001383500000000,  0.0013438200000000 ]  - [   0.0008825100000000, -0.0001383500000000,  0.0013438200000000 ]  - [   0.0005610700000000, -0.0006951000000000,  0.0013438200000000 ]  - [  -0.0005610700000000, -0.0006951000000000,  0.0013438200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006860100000000 ]  - [  -0.0003214400000000,  0.0008334500000000,  0.0013438200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008106500000000 ]  - [   0.0003214400000000,  0.0008334500000000,  0.0013438200000000 ]  - [   0.0000000000000000, -0.0007371100000000, -0.0018143900000000 ]  - [   0.0005221200000000, -0.0003014500000000, -0.0007332100000000 ]  - [  -0.0005221200000000, -0.0003014500000000, -0.0007332100000000 ]  - [  -0.0006383600000000,  0.0003685600000000, -0.0018143900000000 ]  - [   0.0006383600000000,  0.0003685600000000, -0.0018143900000000 ]  - [   0.0000000000000000, -0.0000142500000000, -0.0000733100000000 ]  - [   0.0000123400000000,  0.0000071200000000, -0.0000733100000000 ]  - [   0.0000000000000000,  0.0006028900000000, -0.0007332100000000 ]  - [  -0.0000123400000000,  0.0000071200000000, -0.0000733100000000 ]  - [  -0.0001310300000000,  0.0000756500000000, -0.0008815500000000 ]  - [   0.0000000000000000,  0.0002543600000000, -0.0006447600000000 ]  - [   0.0001310300000000,  0.0000756500000000, -0.0008815500000000 ]  - [   0.0000000000000000, -0.0001513000000000, -0.0008815500000000 ]  - [   0.0001017100000000,  0.0000587200000000, -0.0007156100000000 ]  - [  -0.0001017100000000,  0.0000587200000000, -0.0007156100000000 ]  - [  -0.0002202900000000, -0.0001271800000000, -0.0006447600000000 ]  - [   0.0002202900000000, -0.0001271800000000, -0.0006447600000000 ]  - [   0.0000000000000000, -0.0001174400000000, -0.0007156100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2135882800000000 ]  - [   0.0010146700000000,  0.0007650900000000, -0.0049804900000000 ]  - [  -0.0010146700000000,  0.0007650900000000, -0.0049804900000000 ]  - [  -0.0011699300000000,  0.0004961900000000, -0.0049804900000000 ]  - [   0.0011699300000000,  0.0004961900000000, -0.0049804900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029680000000000 ]  - [  -0.0001552500000000, -0.0012612800000000, -0.0049804900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029809600000000 ]  - [   0.0001552500000000, -0.0012612800000000, -0.0049804900000000 ]  - [   0.0000000000000000, -0.0110168500000000,  0.0070286400000000 ]  - [   0.0047754400000000, -0.0027571000000000,  0.0027698800000000 ]  - [  -0.0047754400000000, -0.0027571000000000,  0.0027698800000000 ]  - [  -0.0095408700000000,  0.0055084200000000,  0.0070286400000000 ]  - [   0.0095408700000000,  0.0055084200000000,  0.0070286400000000 ]  - [   0.0000000000000000, -0.0000077500000000, -0.0008566500000000 ]  - [   0.0000067200000000,  0.0000038800000000, -0.0008566500000000 ]  - [   0.0000000000000000,  0.0055142000000000,  0.0027698800000000 ]  - [  -0.0000067200000000,  0.0000038800000000, -0.0008566500000000 ]  - [   0.0000000000000000,  0.0000284900000000,  0.0014623100000000 ]  - [  -0.0000385800000000,  0.0000222700000000,  0.0009112600000000 ]  - [   0.0000385800000000,  0.0000222700000000,  0.0009112600000000 ]  - [   0.0000246700000000, -0.0000142400000000,  0.0014623100000000 ]  - [  -0.0000246700000000, -0.0000142400000000,  0.0014623100000000 ]  - [   0.0000000000000000,  0.0000590800000000,  0.0006258000000000 ]  - [  -0.0000511600000000, -0.0000295400000000,  0.0006258000000000 ]  - [   0.0000000000000000, -0.0000445500000000,  0.0009112600000000 ]  - [   0.0000511600000000, -0.0000295400000000,  0.0006258000000000 ]  - [   0.0000973100000000, -0.0000561800000000,  0.0018562300000000 ]  - [   0.0000000000000000, -0.0000082300000000,  0.0016461100000000 ]  - [  -0.0000973100000000, -0.0000561800000000,  0.0018562300000000 ]  - [   0.0000000000000000,  0.0001123600000000,  0.0018562300000000 ]  - [   0.0000792900000000,  0.0000457800000000,  0.0016785600000000 ]  - [  -0.0000792900000000,  0.0000457800000000,  0.0016785600000000 ]  - [   0.0000071200000000,  0.0000041100000000,  0.0016461100000000 ]  - [  -0.0000071200000000,  0.0000041100000000,  0.0016461100000000 ]  - [   0.0000000000000000, -0.0000915500000000,  0.0016785600000000 ]  - [  -0.0008094100000000,  0.0004673200000000,  0.0014460100000000 ]  - [   0.0000000000000000,  0.0000554600000000,  0.0006284800000000 ]  - [   0.0008094100000000,  0.0004673200000000,  0.0014460100000000 ]  - [   0.0000000000000000, -0.0009346300000000,  0.0014460100000000 ]  - [  -0.0006497500000000, -0.0003751300000000,  0.0009146100000000 ]  - [   0.0006497500000000, -0.0003751300000000,  0.0009146100000000 ]  - [  -0.0000480300000000, -0.0000277300000000,  0.0006284800000000 ]  - [   0.0000480300000000, -0.0000277300000000,  0.0006284800000000 ]  - [   0.0000000000000000,  0.0007502600000000,  0.0009146100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0126918500000000 ]  - [  -0.0005528600000000,  0.0001352300000000,  0.0007819900000000 ]  - [   0.0005528600000000,  0.0001352300000000,  0.0007819900000000 ]  - [   0.0001593200000000, -0.0005464000000000,  0.0007819900000000 ]  - [  -0.0001593200000000, -0.0005464000000000,  0.0007819900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004704600000000 ]  - [  -0.0003935400000000,  0.0004111700000000,  0.0007819900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004111900000000 ]  - [   0.0003935400000000,  0.0004111700000000,  0.0007819900000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0054650200000000,  0.0031552300000000, -0.0163661000000000 ]  - [   0.0000000000000000,  0.0011988700000000, -0.0037911900000000 ]  - [   0.0054650200000000,  0.0031552300000000, -0.0163661000000000 ]  - [   0.0000000000000000, -0.0063104600000000, -0.0163661000000000 ]  - [   0.0021766600000000,  0.0012567000000000, -0.0041532200000000 ]  - [  -0.0021766600000000,  0.0012567000000000, -0.0041532200000000 ]  - [  -0.0010382500000000, -0.0005994300000000, -0.0037911900000000 ]  - [   0.0010382500000000, -0.0005994300000000, -0.0037911900000000 ]  - [   0.0000000000000000, -0.0025133900000000, -0.0041532200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024341900000000 ]  - [   0.0003310700000000, -0.0000571000000000,  0.0019710200000000 ]  - [  -0.0003310700000000, -0.0000571000000000,  0.0019710200000000 ]  - [  -0.0001160800000000,  0.0003152700000000,  0.0019710200000000 ]  - [   0.0001160800000000,  0.0003152700000000,  0.0019710200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016648500000000 ]  - [   0.0002149900000000, -0.0002581700000000,  0.0019710200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018727600000000 ]  - [  -0.0002149900000000, -0.0002581700000000,  0.0019710200000000 ]  - [   0.0000000000000000,  0.0043426600000000,  0.0031206200000000 ]  - [  -0.0008556700000000,  0.0004940200000000,  0.0010424100000000 ]  - [   0.0008556700000000,  0.0004940200000000,  0.0010424100000000 ]  - [   0.0037608600000000, -0.0021713300000000,  0.0031206200000000 ]  - [  -0.0037608600000000, -0.0021713300000000,  0.0031206200000000 ]  - [   0.0000000000000000, -0.0003002200000000,  0.0011326500000000 ]  - [   0.0002600000000000,  0.0001501100000000,  0.0011326500000000 ]  - [   0.0000000000000000, -0.0009880400000000,  0.0010424100000000 ]  - [  -0.0002600000000000,  0.0001501100000000,  0.0011326500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1452758500000000 ]  - [   0.0007174400000000, -0.0002796000000000, -0.0013331000000000 ]  - [  -0.0007174400000000, -0.0002796000000000, -0.0013331000000000 ]  - [  -0.0001165800000000,  0.0007611200000000, -0.0013331000000000 ]  - [   0.0001165800000000,  0.0007611200000000, -0.0013331000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006713700000000 ]  - [   0.0006008600000000, -0.0004815200000000, -0.0013331000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007848200000000 ]  - [  -0.0006008600000000, -0.0004815200000000, -0.0013331000000000 ]  - [   0.0000000000000000,  0.0004260100000000,  0.0018132000000000 ]  - [  -0.0002546800000000,  0.0001470400000000,  0.0007513100000000 ]  - [   0.0002546800000000,  0.0001470400000000,  0.0007513100000000 ]  - [   0.0003689400000000, -0.0002130100000000,  0.0018132000000000 ]  - [  -0.0003689400000000, -0.0002130100000000,  0.0018132000000000 ]  - [   0.0000000000000000,  0.0000149600000000,  0.0000628400000000 ]  - [  -0.0000129500000000, -0.0000074800000000,  0.0000628400000000 ]  - [   0.0000000000000000, -0.0002940800000000,  0.0007513100000000 ]  - [   0.0000129500000000, -0.0000074800000000,  0.0000628400000000 ]  - [  -0.0000142600000000,  0.0000082300000000,  0.0008915500000000 ]  - [   0.0000000000000000,  0.0002301900000000,  0.0006313900000000 ]  - [   0.0000142600000000,  0.0000082300000000,  0.0008915500000000 ]  - [   0.0000000000000000, -0.0000164600000000,  0.0008915500000000 ]  - [   0.0001733700000000,  0.0001000900000000,  0.0007438400000000 ]  - [  -0.0001733700000000,  0.0001000900000000,  0.0007438400000000 ]  - [  -0.0001993500000000, -0.0001151000000000,  0.0006313900000000 ]  - [   0.0001993500000000, -0.0001151000000000,  0.0006313900000000 ]  - [   0.0000000000000000, -0.0002001900000000,  0.0007438400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2215746700000000 ]  - [  -0.0010065300000000, -0.0007595300000000,  0.0043162800000000 ]  - [   0.0010065300000000, -0.0007595300000000,  0.0043162800000000 ]  - [   0.0011610400000000, -0.0004919200000000,  0.0043162800000000 ]  - [  -0.0011610400000000, -0.0004919200000000,  0.0043162800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022542300000000 ]  - [   0.0001545100000000,  0.0012514500000000,  0.0043162800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022741100000000 ]  - [  -0.0001545100000000,  0.0012514500000000,  0.0043162800000000 ]  - [   0.0000000000000000,  0.0108600700000000, -0.0062654900000000 ]  - [  -0.0048031700000000,  0.0027731100000000, -0.0020342100000000 ]  - [   0.0048031700000000,  0.0027731100000000, -0.0020342100000000 ]  - [   0.0094050900000000, -0.0054300300000000, -0.0062654900000000 ]  - [  -0.0094050900000000, -0.0054300300000000, -0.0062654900000000 ]  - [   0.0000000000000000, -0.0000009800000000,  0.0015874800000000 ]  - [   0.0000008500000000,  0.0000004900000000,  0.0015874800000000 ]  - [   0.0000000000000000, -0.0055462300000000, -0.0020342100000000 ]  - [  -0.0000008500000000,  0.0000004900000000,  0.0015874800000000 ]  - [   0.0000000000000000, -0.0000198800000000, -0.0021413400000000 ]  - [   0.0000495800000000, -0.0000286200000000, -0.0016381800000000 ]  - [  -0.0000495800000000, -0.0000286200000000, -0.0016381800000000 ]  - [  -0.0000172100000000,  0.0000099400000000, -0.0021413400000000 ]  - [   0.0000172100000000,  0.0000099400000000, -0.0021413400000000 ]  - [   0.0000000000000000, -0.0000765500000000, -0.0013482300000000 ]  - [   0.0000662900000000,  0.0000382700000000, -0.0013482300000000 ]  - [   0.0000000000000000,  0.0000572500000000, -0.0016381800000000 ]  - [  -0.0000662900000000,  0.0000382700000000, -0.0013482300000000 ]  - [  -0.0001013300000000,  0.0000585000000000, -0.0011435200000000 ]  - [   0.0000000000000000, -0.0000091300000000, -0.0009029800000000 ]  - [   0.0001013300000000,  0.0000585000000000, -0.0011435200000000 ]  - [   0.0000000000000000, -0.0001170000000000, -0.0011435200000000 ]  - [  -0.0000967100000000, -0.0000558300000000, -0.0009911600000000 ]  - [   0.0000967100000000, -0.0000558300000000, -0.0009911600000000 ]  - [   0.0000079000000000,  0.0000045600000000, -0.0009029800000000 ]  - [  -0.0000079000000000,  0.0000045600000000, -0.0009029800000000 ]  - [   0.0000000000000000,  0.0001116700000000, -0.0009911600000000 ]  - [   0.0008133600000000, -0.0004695900000000, -0.0021855200000000 ]  - [   0.0000000000000000, -0.0000610400000000, -0.0013688500000000 ]  - [  -0.0008133600000000, -0.0004695900000000, -0.0021855200000000 ]  - [   0.0000000000000000,  0.0009391900000000, -0.0021855200000000 ]  - [   0.0006486300000000,  0.0003744900000000, -0.0016344000000000 ]  - [  -0.0006486300000000,  0.0003744900000000, -0.0016344000000000 ]  - [   0.0000528600000000,  0.0000305200000000, -0.0013688500000000 ]  - [  -0.0000528600000000,  0.0000305200000000, -0.0013688500000000 ]  - [   0.0000000000000000, -0.0007489800000000, -0.0016344000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0123379700000000 ]  - [   0.0005517300000000, -0.0001367500000000, -0.0001162400000000 ]  - [  -0.0005517300000000, -0.0001367500000000, -0.0001162400000000 ]  - [  -0.0001574300000000,  0.0005461900000000, -0.0001162400000000 ]  - [   0.0001574300000000,  0.0005461900000000, -0.0001162400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002364800000000 ]  - [   0.0003943000000000, -0.0004094300000000, -0.0001162400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002922800000000 ]  - [  -0.0003943000000000, -0.0004094300000000, -0.0001162400000000 ]