# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/38baca49-b644-4832-9c6b-9fbe19a198b0/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 Tm3Sb5O12 / I-43m (217) / materials id 768450](https://mdr.nims.go.jp/datasets/69dc3405-d8f7-4380-bbfa-1c6cce71ff49)

## 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:  - [    -5.303798715000000,     5.303798715000000,     5.303798715000000 ] # a  - [     5.303798715000000,    -5.303798715000000,     5.303798715000000 ] # b  - [     5.303798715000000,     5.303798715000000,    -5.303798715000000 ] # c  points:  - symbol: Tm # 1    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 168.934210  - symbol: Tm # 2    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 168.934210  - symbol: Tm # 3    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 168.934210  - symbol: Tm # 4    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 168.934210  - symbol: Tm # 5    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 168.934210  - symbol: Tm # 6    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 168.934210  - symbol: Sb # 7    coordinates: [  0.521958720000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 8    coordinates: [  0.279880670000000,  0.000000000000000,  0.279880670000000 ]    mass: 121.760000  - symbol: Sb # 9    coordinates: [  0.279880670000000,  0.279880670000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 10    coordinates: [  0.720119330000000,  0.000000000000000,  0.720119330000000 ]    mass: 121.760000  - symbol: Sb # 11    coordinates: [  0.720119330000000,  0.720119330000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 12    coordinates: [  0.000000000000000,  0.521958720000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.521958720000000 ]    mass: 121.760000  - symbol: Sb # 14    coordinates: [  0.478041280000000,  0.478041280000000,  0.478041280000000 ]    mass: 121.760000  - symbol: Sb # 15    coordinates: [  0.000000000000000,  0.279880670000000,  0.279880670000000 ]    mass: 121.760000  - symbol: Sb # 16    coordinates: [  0.000000000000000,  0.720119330000000,  0.720119330000000 ]    mass: 121.760000  - symbol: O  # 17    coordinates: [  0.481592840000000,  0.000000000000000,  0.203814480000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.481592840000000,  0.203814480000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.706127370000000,  0.500441550000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.706127370000000,  0.000000000000000,  0.500441550000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.794314180000000,  0.293872630000000,  0.293872630000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.499558450000000,  0.499558450000000,  0.205685820000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.499558450000000,  0.205685820000000,  0.499558450000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.500441550000000,  0.706127370000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.500441550000000,  0.000000000000000,  0.706127370000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.722221640000000,  0.518407160000000,  0.518407160000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.796185520000000,  0.277778360000000,  0.796185520000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.796185520000000,  0.796185520000000,  0.277778360000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.203814480000000,  0.481592840000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.203814480000000,  0.000000000000000,  0.481592840000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.518407160000000,  0.722221640000000,  0.518407160000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.518407160000000,  0.518407160000000,  0.722221640000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.481592840000000,  0.203814480000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.203814480000000,  0.481592840000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.293872630000000,  0.794314180000000,  0.293872630000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.293872630000000,  0.293872630000000,  0.794314180000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.205685820000000,  0.499558450000000,  0.499558450000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.000000000000000,  0.706127370000000,  0.500441550000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.000000000000000,  0.500441550000000,  0.706127370000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.277778360000000,  0.796185520000000,  0.796185520000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.094272054213882,     0.094272054213882 ] # a*  - [     0.094272054213882,     0.000000000000000,     0.094272054213882 ] # b*  - [     0.094272054213882,     0.094272054213882,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    10.607597430000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.607597430000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.607597430000000 ] # c  points:  - symbol: Tm # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 168.934210    reduced_to: 1  - symbol: Tm # 2    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 2  - symbol: Tm # 3    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 3  - symbol: Tm # 4    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 4  - symbol: Tm # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 168.934210    reduced_to: 5  - symbol: Tm # 6    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 6  - symbol: Tm # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 168.934210    reduced_to: 1  - symbol: Tm # 8    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 2  - symbol: Tm # 9    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 3  - symbol: Tm # 10    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 4  - symbol: Tm # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 168.934210    reduced_to: 5  - symbol: Tm # 12    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 6  - symbol: Sb # 13    coordinates: [  0.739020640000000,  0.260979360000000,  0.260979360000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.000000000000000,  0.279880670000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.279880670000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 16    coordinates: [  0.000000000000000,  0.720119330000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.720119330000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 18    coordinates: [  0.260979360000000,  0.739020640000000,  0.260979360000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 19    coordinates: [  0.260979360000000,  0.260979360000000,  0.739020640000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 20    coordinates: [  0.239020640000000,  0.239020640000000,  0.239020640000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 21    coordinates: [  0.279880670000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 22    coordinates: [  0.720119330000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 23    coordinates: [  0.239020640000000,  0.760979360000000,  0.760979360000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 24    coordinates: [  0.500000000000000,  0.779880670000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 25    coordinates: [  0.500000000000000,  0.500000000000000,  0.779880670000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 26    coordinates: [  0.500000000000000,  0.220119330000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.220119330000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 28    coordinates: [  0.760979360000000,  0.239020640000000,  0.760979360000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 29    coordinates: [  0.760979360000000,  0.760979360000000,  0.239020640000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 30    coordinates: [  0.739020640000000,  0.739020640000000,  0.739020640000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 31    coordinates: [  0.779880670000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 32    coordinates: [  0.220119330000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: O  # 33    coordinates: [  0.861110820000000,  0.342703660000000,  0.138889180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.861110820000000,  0.138889180000000,  0.342703660000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.897157090000000,  0.102842910000000,  0.603284460000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.897157090000000,  0.603284460000000,  0.102842910000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.896715540000000,  0.397157090000000,  0.397157090000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.102842910000000,  0.102842910000000,  0.396715540000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.102842910000000,  0.396715540000000,  0.102842910000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.102842910000000,  0.897157090000000,  0.603284460000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.102842910000000,  0.603284460000000,  0.897157090000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.157296340000000,  0.361110820000000,  0.361110820000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.138889180000000,  0.657296340000000,  0.138889180000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.138889180000000,  0.138889180000000,  0.657296340000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.138889180000000,  0.861110820000000,  0.342703660000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.138889180000000,  0.342703660000000,  0.861110820000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.361110820000000,  0.157296340000000,  0.361110820000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.361110820000000,  0.361110820000000,  0.157296340000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.342703660000000,  0.861110820000000,  0.138889180000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.342703660000000,  0.138889180000000,  0.861110820000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.397157090000000,  0.896715540000000,  0.397157090000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.397157090000000,  0.397157090000000,  0.896715540000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.396715540000000,  0.102842910000000,  0.102842910000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.603284460000000,  0.897157090000000,  0.102842910000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.603284460000000,  0.102842910000000,  0.897157090000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.657296340000000,  0.138889180000000,  0.138889180000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.361110820000000,  0.842703660000000,  0.638889180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.361110820000000,  0.638889180000000,  0.842703660000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.397157090000000,  0.602842910000000,  0.103284460000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.397157090000000,  0.103284460000000,  0.602842910000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.396715540000000,  0.897157090000000,  0.897157090000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.602842910000000,  0.602842910000000,  0.896715540000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.602842910000000,  0.896715540000000,  0.602842910000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.602842910000000,  0.397157090000000,  0.103284460000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.602842910000000,  0.103284460000000,  0.397157090000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.657296340000000,  0.861110820000000,  0.861110820000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.638889180000000,  0.157296340000000,  0.638889180000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.638889180000000,  0.638889180000000,  0.157296340000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.638889180000000,  0.361110820000000,  0.842703660000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.638889180000000,  0.842703660000000,  0.361110820000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.861110820000000,  0.657296340000000,  0.861110820000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.861110820000000,  0.861110820000000,  0.657296340000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.842703660000000,  0.361110820000000,  0.638889180000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.842703660000000,  0.638889180000000,  0.361110820000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.897157090000000,  0.396715540000000,  0.897157090000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.897157090000000,  0.897157090000000,  0.396715540000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.896715540000000,  0.602842910000000,  0.602842910000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.103284460000000,  0.397157090000000,  0.602842910000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.103284460000000,  0.602842910000000,  0.397157090000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.157296340000000,  0.638889180000000,  0.638889180000000 ]    mass: 15.999400    reduced_to: 56supercell:  lattice:  - [    10.607597430000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.607597430000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.607597430000000 ] # c  points:  - symbol: Tm # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 168.934210    reduced_to: 1  - symbol: Tm # 2    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 2  - symbol: Tm # 3    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 3  - symbol: Tm # 4    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 4  - symbol: Tm # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 168.934210    reduced_to: 5  - symbol: Tm # 6    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 6  - symbol: Tm # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 168.934210    reduced_to: 1  - symbol: Tm # 8    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 2  - symbol: Tm # 9    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 3  - symbol: Tm # 10    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 4  - symbol: Tm # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 168.934210    reduced_to: 5  - symbol: Tm # 12    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 6  - symbol: Sb # 13    coordinates: [  0.739020640000000,  0.260979360000000,  0.260979360000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.000000000000000,  0.279880670000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.279880670000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 16    coordinates: [  0.000000000000000,  0.720119330000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.720119330000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 18    coordinates: [  0.260979360000000,  0.739020640000000,  0.260979360000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 19    coordinates: [  0.260979360000000,  0.260979360000000,  0.739020640000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 20    coordinates: [  0.239020640000000,  0.239020640000000,  0.239020640000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 21    coordinates: [  0.279880670000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 22    coordinates: [  0.720119330000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: Sb # 23    coordinates: [  0.239020640000000,  0.760979360000000,  0.760979360000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 24    coordinates: [  0.500000000000000,  0.779880670000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 14  - symbol: Sb # 25    coordinates: [  0.500000000000000,  0.500000000000000,  0.779880670000000 ]    mass: 121.760000    reduced_to: 15  - symbol: Sb # 26    coordinates: [  0.500000000000000,  0.220119330000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 16  - symbol: Sb # 27    coordinates: [  0.500000000000000,  0.500000000000000,  0.220119330000000 ]    mass: 121.760000    reduced_to: 17  - symbol: Sb # 28    coordinates: [  0.760979360000000,  0.239020640000000,  0.760979360000000 ]    mass: 121.760000    reduced_to: 18  - symbol: Sb # 29    coordinates: [  0.760979360000000,  0.760979360000000,  0.239020640000000 ]    mass: 121.760000    reduced_to: 19  - symbol: Sb # 30    coordinates: [  0.739020640000000,  0.739020640000000,  0.739020640000000 ]    mass: 121.760000    reduced_to: 20  - symbol: Sb # 31    coordinates: [  0.779880670000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 21  - symbol: Sb # 32    coordinates: [  0.220119330000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 22  - symbol: O  # 33    coordinates: [  0.861110820000000,  0.342703660000000,  0.138889180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.861110820000000,  0.138889180000000,  0.342703660000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.897157090000000,  0.102842910000000,  0.603284460000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.897157090000000,  0.603284460000000,  0.102842910000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.896715540000000,  0.397157090000000,  0.397157090000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.102842910000000,  0.102842910000000,  0.396715540000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.102842910000000,  0.396715540000000,  0.102842910000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.102842910000000,  0.897157090000000,  0.603284460000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.102842910000000,  0.603284460000000,  0.897157090000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.157296340000000,  0.361110820000000,  0.361110820000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.138889180000000,  0.657296340000000,  0.138889180000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.138889180000000,  0.138889180000000,  0.657296340000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.138889180000000,  0.861110820000000,  0.342703660000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.138889180000000,  0.342703660000000,  0.861110820000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.361110820000000,  0.157296340000000,  0.361110820000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.361110820000000,  0.361110820000000,  0.157296340000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.342703660000000,  0.861110820000000,  0.138889180000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.342703660000000,  0.138889180000000,  0.861110820000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.397157090000000,  0.896715540000000,  0.397157090000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.397157090000000,  0.397157090000000,  0.896715540000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.396715540000000,  0.102842910000000,  0.102842910000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.603284460000000,  0.897157090000000,  0.102842910000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.603284460000000,  0.102842910000000,  0.897157090000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.657296340000000,  0.138889180000000,  0.138889180000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.361110820000000,  0.842703660000000,  0.638889180000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.361110820000000,  0.638889180000000,  0.842703660000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.397157090000000,  0.602842910000000,  0.103284460000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.397157090000000,  0.103284460000000,  0.602842910000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.396715540000000,  0.897157090000000,  0.897157090000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.602842910000000,  0.602842910000000,  0.896715540000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.602842910000000,  0.896715540000000,  0.602842910000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.602842910000000,  0.397157090000000,  0.103284460000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.602842910000000,  0.103284460000000,  0.397157090000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.657296340000000,  0.861110820000000,  0.861110820000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.638889180000000,  0.157296340000000,  0.638889180000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.638889180000000,  0.638889180000000,  0.157296340000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.638889180000000,  0.361110820000000,  0.842703660000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.638889180000000,  0.842703660000000,  0.361110820000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.861110820000000,  0.657296340000000,  0.861110820000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.861110820000000,  0.861110820000000,  0.657296340000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.842703660000000,  0.361110820000000,  0.638889180000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.842703660000000,  0.638889180000000,  0.361110820000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.897157090000000,  0.396715540000000,  0.897157090000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.897157090000000,  0.897157090000000,  0.396715540000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.896715540000000,  0.602842910000000,  0.602842910000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.103284460000000,  0.397157090000000,  0.602842910000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.103284460000000,  0.602842910000000,  0.397157090000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.157296340000000,  0.638889180000000,  0.638889180000000 ]    mass: 15.999400    reduced_to: 56displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1193724500000000,  0.0000010400000000, -0.0001049000000000 ]  - [  -0.0111762000000000,  0.0017024700000000, -0.0004851000000000 ]  - [   0.0088081700000000,  0.0004639000000000, -0.0116060800000000 ]  - [   0.0002680900000000, -0.0002445900000000,  0.0015562300000000 ]  - [   0.0043161600000000, -0.0004062400000000,  0.0000003800000000 ]  - [   0.0036254000000000, -0.0002296400000000, -0.0002521000000000 ]  - [   0.0014924500000000, -0.0000012600000000, -0.0000009100000000 ]  - [   0.0036193600000000, -0.0002237300000000,  0.0002379700000000 ]  - [   0.0002704300000000, -0.0002471000000000, -0.0015445200000000 ]  - [   0.0087902400000000,  0.0004887800000000,  0.0114967400000000 ]  - [  -0.0042627700000000,  0.0005979200000000, -0.0000012000000000 ]  - [  -0.0111462400000000,  0.0016703400000000,  0.0004683800000000 ]  - [   0.0120900800000000,  0.0129264400000000, -0.0015986900000000 ]  - [  -0.0163679000000000, -0.0035370400000000,  0.0009120300000000 ]  - [  -0.0060965800000000,  0.0013738200000000, -0.0000311800000000 ]  - [  -0.0164248300000000, -0.0035298600000000, -0.0008749600000000 ]  - [  -0.0015517900000000, -0.0000123100000000,  0.0000287900000000 ]  - [   0.0121676800000000,  0.0129813200000000,  0.0016567000000000 ]  - [   0.0006347300000000, -0.0013270600000000,  0.0005419700000000 ]  - [   0.0113318400000000, -0.0145626500000000, -0.0035860700000000 ]  - [  -0.0000680900000000,  0.0005450800000000, -0.0020150800000000 ]  - [  -0.0000070000000000,  0.0005469900000000,  0.0020074100000000 ]  - [   0.0012737400000000,  0.0015168600000000,  0.0009099800000000 ]  - [   0.0038526000000000,  0.0001024200000000, -0.0007323800000000 ]  - [   0.0024121200000000,  0.0001338500000000, -0.0000298600000000 ]  - [   0.0038502500000000,  0.0001604100000000,  0.0007387900000000 ]  - [   0.0085197400000000,  0.0017312100000000,  0.0000287700000000 ]  - [   0.0013212400000000,  0.0014852700000000, -0.0008724200000000 ]  - [   0.0113459000000000, -0.0144215500000000,  0.0035172200000000 ]  - [   0.0006037500000000, -0.0013729300000000, -0.0005790700000000 ]  - [   0.0084704700000000,  0.0011981400000000, -0.0204026300000000 ]  - [   0.0085670700000000,  0.0012545600000000,  0.0205433300000000 ]  - [   0.0046258400000000, -0.0085787700000000, -0.0070027100000000 ]  - [   0.0018171500000000, -0.0038765800000000,  0.0006010700000000 ]  - [   0.0007787400000000, -0.0000654400000000,  0.0004748700000000 ]  - [   0.0227507800000000, -0.0060106800000000,  0.0132523600000000 ]  - [   0.0175939300000000,  0.0098977700000000, -0.0139801300000000 ]  - [   0.0029071500000000,  0.0015724900000000, -0.0005748400000000 ]  - [   0.0231221400000000, -0.0064753300000000, -0.0139401400000000 ]  - [   0.0007396700000000, -0.0000270400000000, -0.0004715700000000 ]  - [   0.0034642300000000, -0.0017900400000000,  0.0010856000000000 ]  - [  -0.0002139600000000,  0.0077414000000000, -0.0051395900000000 ]  - [   0.0047786200000000, -0.0085416400000000,  0.0068659800000000 ]  - [   0.0010795500000000,  0.0006845000000000,  0.0000920500000000 ]  - [   0.0017734900000000, -0.0038298900000000, -0.0005379600000000 ]  - [   0.0009694800000000,  0.0020164600000000,  0.0011636900000000 ]  - [  -0.0038880500000000,  0.0016749700000000, -0.0021561100000000 ]  - [  -0.0050234800000000, -0.0001657900000000,  0.0007727800000000 ]  - [  -0.0020381900000000, -0.0029712300000000,  0.0019863600000000 ]  - [  -0.0005304400000000,  0.0001829000000000,  0.0000515100000000 ]  - [  -0.0022979200000000, -0.0007078600000000, -0.0011083800000000 ]  - [  -0.0019787600000000,  0.0003826000000000,  0.0013216000000000 ]  - [  -0.0025551200000000,  0.0005996800000000,  0.0009842300000000 ]  - [  -0.0025451300000000,  0.0006300400000000, -0.0010173300000000 ]  - [  -0.0012712500000000,  0.0002145200000000, -0.0005319700000000 ]  - [  -0.0021145200000000, -0.0030224100000000, -0.0020322600000000 ]  - [  -0.0009515800000000,  0.0000888000000000,  0.0003849200000000 ]  - [  -0.0011374700000000, -0.0000653400000000,  0.0005747800000000 ]  - [  -0.0041678100000000,  0.0001085200000000, -0.0004410100000000 ]  - [  -0.0010312000000000, -0.0001980800000000, -0.0002635900000000 ]  - [  -0.0012751000000000,  0.0002528500000000,  0.0005748800000000 ]  - [  -0.0020174300000000,  0.0003450300000000, -0.0013238500000000 ]  - [  -0.0010719000000000, -0.0002034400000000,  0.0002218000000000 ]  - [  -0.0042099900000000,  0.0001550600000000,  0.0004550800000000 ]  - [  -0.0023319900000000, -0.0006946300000000,  0.0011406500000000 ]  - [  -0.0006001600000000,  0.0002347500000000,  0.0000011700000000 ]  - [  -0.0010040900000000,  0.0000192700000000, -0.0004363800000000 ]  - [  -0.0050679400000000, -0.0002395600000000, -0.0008241800000000 ]  - [  -0.0011909900000000, -0.0000175500000000, -0.0005054300000000 ]  - [  -0.0039477800000000,  0.0017475200000000,  0.0022062500000000 ]  - [   0.0010166000000000,  0.0019552500000000, -0.0011376400000000 ]  - [   0.0011277500000000,  0.0007351300000000, -0.0001600200000000 ]  - [   0.0013529200000000, -0.0029090100000000,  0.0045384900000000 ]  - [  -0.0003936600000000,  0.0078334000000000,  0.0053049000000000 ]  - [   0.0034963300000000, -0.0017975700000000, -0.0010449400000000 ]  - [   0.0029471000000000,  0.0016066000000000,  0.0005644700000000 ]  - [   0.0040115000000000,  0.0016858200000000,  0.0036715500000000 ]  - [   0.0040186400000000,  0.0017225600000000, -0.0037193400000000 ]  - [   0.0180331100000000,  0.0102906200000000,  0.0146945000000000 ]  - [   0.0012935500000000, -0.0029554500000000, -0.0045637100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.1768751900000000 ]  - [   0.0016951800000000, -0.0155994200000000,  0.0088093100000000 ]  - [  -0.0154911900000000, -0.0016785400000000,  0.0087857100000000 ]  - [   0.0008747600000000, -0.0002242600000000,  0.0002664600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015195200000000 ]  - [   0.0002280200000000,  0.0008726400000000,  0.0002739000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008900400000000 ]  - [  -0.0002280200000000, -0.0008726400000000,  0.0002739000000000 ]  - [  -0.0008747600000000,  0.0002242600000000,  0.0002664600000000 ]  - [   0.0154911900000000,  0.0016785400000000,  0.0087857100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0128054800000000 ]  - [  -0.0016951800000000,  0.0155994200000000,  0.0088093100000000 ]  - [   0.0008311700000000, -0.0009057100000000, -0.0162834600000000 ]  - [   0.0026124900000000,  0.0150819400000000,  0.0187970300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024836600000000 ]  - [  -0.0026124900000000, -0.0150819400000000,  0.0187970300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025783800000000 ]  - [  -0.0008311700000000,  0.0009057100000000, -0.0162834600000000 ]  - [  -0.0001447100000000,  0.0006937300000000,  0.0050808400000000 ]  - [  -0.0009795400000000, -0.0008248900000000, -0.0162900300000000 ]  - [  -0.0012770800000000, -0.0002727100000000,  0.0002146100000000 ]  - [   0.0012770800000000,  0.0002727100000000,  0.0002146100000000 ]  - [   0.0006600400000000,  0.0001928000000000,  0.0051187500000000 ]  - [  -0.0002659300000000,  0.0012232400000000,  0.0002068600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025239700000000 ]  - [   0.0002659300000000, -0.0012232400000000,  0.0002068600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024328700000000 ]  - [  -0.0006600400000000, -0.0001928000000000,  0.0051187500000000 ]  - [   0.0009795400000000,  0.0008248900000000, -0.0162900300000000 ]  - [   0.0001447100000000, -0.0006937300000000,  0.0050808400000000 ]  - [  -0.0153419900000000,  0.0026534400000000,  0.0188650600000000 ]  - [   0.0153419900000000, -0.0026534400000000,  0.0188650600000000 ]  - [  -0.0094956500000000, -0.0097925600000000,  0.0075382000000000 ]  - [   0.0011188100000000,  0.0013806200000000,  0.0031072700000000 ]  - [   0.0009949200000000,  0.0016888600000000, -0.0020804400000000 ]  - [   0.0145238300000000, -0.0086165500000000,  0.0267031800000000 ]  - [  -0.0095702900000000, -0.0154610100000000,  0.0278835600000000 ]  - [  -0.0008873300000000,  0.0021145800000000,  0.0024193300000000 ]  - [  -0.0145238300000000,  0.0086165500000000,  0.0267031800000000 ]  - [  -0.0009949200000000, -0.0016888600000000, -0.0020804400000000 ]  - [   0.0017799900000000,  0.0002989500000000, -0.0065812500000000 ]  - [  -0.0097531000000000,  0.0094553600000000,  0.0078299700000000 ]  - [   0.0094956500000000,  0.0097925600000000,  0.0075382000000000 ]  - [  -0.0007383600000000,  0.0006738400000000, -0.0020740400000000 ]  - [  -0.0011188100000000, -0.0013806200000000,  0.0031072700000000 ]  - [   0.0032546800000000, -0.0003966000000000, -0.0070045500000000 ]  - [   0.0007088100000000,  0.0014434600000000,  0.0028877000000000 ]  - [   0.0014297700000000, -0.0010650200000000,  0.0030262400000000 ]  - [   0.0015276000000000, -0.0006444900000000,  0.0028351300000000 ]  - [   0.0002565400000000,  0.0004961800000000, -0.0013421000000000 ]  - [   0.0000852200000000,  0.0000332200000000,  0.0002363900000000 ]  - [   0.0017253400000000, -0.0009521500000000, -0.0020922300000000 ]  - [  -0.0000485100000000,  0.0000486500000000,  0.0001946000000000 ]  - [   0.0000485100000000, -0.0000486500000000,  0.0001946000000000 ]  - [  -0.0000103500000000, -0.0001029500000000, -0.0002051300000000 ]  - [  -0.0015276000000000,  0.0006444900000000,  0.0028351300000000 ]  - [   0.0005420500000000, -0.0001846200000000, -0.0013871100000000 ]  - [   0.0007197600000000,  0.0006849400000000, -0.0020017000000000 ]  - [   0.0021593200000000,  0.0008410600000000,  0.0024227900000000 ]  - [  -0.0000624100000000,  0.0000195500000000, -0.0002409200000000 ]  - [   0.0000103500000000,  0.0001029500000000, -0.0002051300000000 ]  - [  -0.0017253400000000,  0.0009521500000000, -0.0020922300000000 ]  - [   0.0000624100000000, -0.0000195500000000, -0.0002409200000000 ]  - [  -0.0021593200000000, -0.0008410600000000,  0.0024227900000000 ]  - [  -0.0000852200000000, -0.0000332200000000,  0.0002363900000000 ]  - [  -0.0002565400000000, -0.0004961800000000, -0.0013421000000000 ]  - [  -0.0005420500000000,  0.0001846200000000, -0.0013871100000000 ]  - [  -0.0014297700000000,  0.0010650200000000,  0.0030262400000000 ]  - [  -0.0007197600000000, -0.0006849400000000, -0.0020017000000000 ]  - [  -0.0007088100000000, -0.0014434600000000,  0.0028877000000000 ]  - [  -0.0032546800000000,  0.0003966000000000, -0.0070045500000000 ]  - [   0.0007383600000000, -0.0006738400000000, -0.0020740400000000 ]  - [   0.0004834900000000,  0.0033086600000000, -0.0070378000000000 ]  - [   0.0097531000000000, -0.0094553600000000,  0.0078299700000000 ]  - [  -0.0017799900000000, -0.0002989500000000, -0.0065812500000000 ]  - [   0.0008873300000000, -0.0021145800000000,  0.0024193300000000 ]  - [   0.0003220000000000, -0.0018388400000000, -0.0066254400000000 ]  - [  -0.0003220000000000,  0.0018388400000000, -0.0066254400000000 ]  - [   0.0095702900000000,  0.0154610100000000,  0.0278835600000000 ]  - [  -0.0004834900000000, -0.0033086600000000, -0.0070378000000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0121591400000000,  0.0145536700000000,  0.0007984800000000 ]  - [   0.0121591400000000,  0.0007984800000000,  0.0145536700000000 ]  - [   0.0050957000000000,  0.0008930900000000,  0.0005570800000000 ]  - [   0.0050957000000000,  0.0005570800000000,  0.0008930900000000 ]  - [   0.0113391900000000,  0.0129124800000000,  0.0009026200000000 ]  - [   0.0113391900000000,  0.0009026200000000,  0.0129124800000000 ]  - [   0.0013036600000000,  0.0013519700000000,  0.0006864500000000 ]  - [   0.0013036600000000,  0.0006864500000000,  0.0013519700000000 ]  - [  -0.0162680400000000, -0.0016222900000000,  0.0035415200000000 ]  - [  -0.0162680400000000,  0.0035415200000000, -0.0016222900000000 ]  - [   0.0006212800000000,  0.0014999700000000, -0.0001624300000000 ]  - [   0.0006212800000000, -0.0001624300000000,  0.0014999700000000 ]  - [  -0.1866696800000000,  0.0065137100000000,  0.0065137100000000 ]  - [   0.0152937900000000,  0.0005956600000000, -0.0158506000000000 ]  - [   0.0152937900000000, -0.0158506000000000,  0.0005956600000000 ]  - [   0.0003390200000000,  0.0008429500000000, -0.0012106800000000 ]  - [   0.0003390200000000, -0.0012106800000000,  0.0008429500000000 ]  - [   0.0043913800000000, -0.0003046900000000, -0.0020364900000000 ]  - [   0.0043913800000000, -0.0020364900000000, -0.0003046900000000 ]  - [   0.0089369500000000, -0.0012048500000000, -0.0012048500000000 ]  - [   0.0026907800000000,  0.0007649600000000,  0.0007649600000000 ]  - [  -0.0033073900000000,  0.0125290600000000,  0.0125290600000000 ]  - [   0.0020972000000000,  0.0007494900000000,  0.0007494900000000 ]  - [   0.0001200800000000,  0.0010414800000000, -0.0007701400000000 ]  - [   0.0001200800000000, -0.0007701400000000,  0.0010414800000000 ]  - [   0.0107399700000000, -0.0038031500000000, -0.0125596100000000 ]  - [   0.0107399700000000, -0.0125596100000000, -0.0038031500000000 ]  - [  -0.0060785700000000, -0.0032818100000000,  0.0012097700000000 ]  - [  -0.0060785700000000,  0.0012097700000000, -0.0032818100000000 ]  - [  -0.0036286100000000,  0.0020397700000000,  0.0020397700000000 ]  - [  -0.0097297700000000,  0.0056466700000000,  0.0056466700000000 ]  - [   0.0025341000000000,  0.0006188000000000,  0.0006188000000000 ]  - [   0.0583701800000000,  0.0193658400000000, -0.0395200900000000 ]  - [   0.0583701800000000, -0.0395200900000000,  0.0193658400000000 ]  - [   0.0002769500000000,  0.0020270100000000, -0.0045195600000000 ]  - [   0.0002769500000000, -0.0045195600000000,  0.0020270100000000 ]  - [   0.0123410500000000, -0.0068791000000000, -0.0068791000000000 ]  - [  -0.0051227400000000,  0.0012231700000000, -0.0006747000000000 ]  - [  -0.0051227400000000, -0.0006747000000000,  0.0012231700000000 ]  - [  -0.0007129100000000, -0.0001275100000000, -0.0005401300000000 ]  - [  -0.0007129100000000, -0.0005401300000000, -0.0001275100000000 ]  - [  -0.0038031300000000,  0.0001903500000000,  0.0001903500000000 ]  - [  -0.0019330000000000, -0.0010946100000000,  0.0003486500000000 ]  - [  -0.0019330000000000,  0.0003486500000000, -0.0010946100000000 ]  - [  -0.0043726100000000,  0.0034367900000000, -0.0018625000000000 ]  - [  -0.0043726100000000, -0.0018625000000000,  0.0034367900000000 ]  - [  -0.0057588700000000,  0.0001765700000000, -0.0010359600000000 ]  - [  -0.0057588700000000, -0.0010359600000000,  0.0001765700000000 ]  - [  -0.0020016100000000, -0.0009424900000000,  0.0002565400000000 ]  - [  -0.0020016100000000,  0.0002565400000000, -0.0009424900000000 ]  - [  -0.0020645600000000, -0.0022033900000000,  0.0015264600000000 ]  - [  -0.0020645600000000,  0.0015264600000000, -0.0022033900000000 ]  - [  -0.0048695200000000, -0.0010201100000000, -0.0010201100000000 ]  - [  -0.0002914200000000, -0.0063507400000000, -0.0008086900000000 ]  - [  -0.0002914200000000, -0.0008086900000000, -0.0063507400000000 ]  - [   0.0319331100000000,  0.0106749400000000,  0.0106749400000000 ]  - [  -0.0010703500000000, -0.0004408100000000,  0.0002456000000000 ]  - [  -0.0010703500000000,  0.0002456000000000, -0.0004408100000000 ]  - [  -0.0029026700000000,  0.0019696100000000, -0.0013192500000000 ]  - [  -0.0029026700000000, -0.0013192500000000,  0.0019696100000000 ]  - [  -0.0015657900000000, -0.0000269800000000, -0.0000269800000000 ]  - [   0.0019530500000000, -0.0002217500000000, -0.0004494900000000 ]  - [   0.0019530500000000, -0.0004494900000000, -0.0002217500000000 ]  - [  -0.0028994000000000,  0.0105753800000000, -0.0037271300000000 ]  - [  -0.0028994000000000, -0.0037271300000000,  0.0105753800000000 ]  - [  -0.0015535900000000, -0.0037318600000000, -0.0037318600000000 ]  - [   0.0033762500000000,  0.0002877900000000,  0.0028704400000000 ]  - [   0.0033762500000000,  0.0028704400000000,  0.0002877900000000 ]  - [   0.0020988100000000,  0.0003540700000000, -0.0015483500000000 ]  - [   0.0020988100000000, -0.0015483500000000,  0.0003540700000000 ]  - [   0.0013552500000000, -0.0007240200000000,  0.0004017100000000 ]  - [   0.0013552500000000,  0.0004017100000000, -0.0007240200000000 ]  - [   0.0022294800000000,  0.0013417200000000, -0.0033526900000000 ]  - [   0.0022294800000000, -0.0033526900000000,  0.0013417200000000 ]  - [   0.0003629200000000, -0.0020560500000000,  0.0057229400000000 ]  - [   0.0003629200000000,  0.0057229400000000, -0.0020560500000000 ]  - [   0.0010032000000000, -0.0017578600000000, -0.0017578600000000 ]  - [  -0.0026423600000000, -0.0015514500000000, -0.0011503400000000 ]  - [  -0.0026423600000000, -0.0011503400000000, -0.0015514500000000 ]  - [  -0.0010230000000000, -0.0008008800000000, -0.0008008800000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0120941700000000, -0.0144350000000000, -0.0008567300000000 ]  - [  -0.0120941700000000, -0.0008567300000000, -0.0144350000000000 ]  - [  -0.0051059900000000, -0.0008886300000000, -0.0005634400000000 ]  - [  -0.0051059900000000, -0.0005634400000000, -0.0008886300000000 ]  - [  -0.0113378300000000, -0.0129984700000000, -0.0009812900000000 ]  - [  -0.0113378300000000, -0.0009812900000000, -0.0129984700000000 ]  - [  -0.0012948500000000, -0.0013479600000000, -0.0006673900000000 ]  - [  -0.0012948500000000, -0.0006673900000000, -0.0013479600000000 ]  - [   0.0163064800000000,  0.0016331100000000, -0.0035599700000000 ]  - [   0.0163064800000000, -0.0035599700000000,  0.0016331100000000 ]  - [  -0.0006235100000000, -0.0015027500000000,  0.0001752300000000 ]  - [  -0.0006235100000000,  0.0001752300000000, -0.0015027500000000 ]  - [   0.1832209200000000, -0.0050073900000000, -0.0050073900000000 ]  - [  -0.0153112500000000, -0.0006265600000000,  0.0158196900000000 ]  - [  -0.0153112500000000,  0.0158196900000000, -0.0006265600000000 ]  - [  -0.0003424000000000, -0.0007783800000000,  0.0012080400000000 ]  - [  -0.0003424000000000,  0.0012080400000000, -0.0007783800000000 ]  - [  -0.0043556100000000,  0.0002736300000000,  0.0020739500000000 ]  - [  -0.0043556100000000,  0.0020739500000000,  0.0002736300000000 ]  - [  -0.0089947900000000,  0.0011555600000000,  0.0011555600000000 ]  - [  -0.0027527200000000, -0.0007688800000000, -0.0007688800000000 ]  - [   0.0033178700000000, -0.0124389700000000, -0.0124389700000000 ]  - [  -0.0021340400000000, -0.0007078800000000, -0.0007078800000000 ]  - [  -0.0001193600000000, -0.0010972500000000,  0.0007710500000000 ]  - [  -0.0001193600000000,  0.0007710500000000, -0.0010972500000000 ]  - [  -0.0107948700000000,  0.0038778200000000,  0.0126774400000000 ]  - [  -0.0107948700000000,  0.0126774400000000,  0.0038778200000000 ]  - [   0.0061171000000000,  0.0032346800000000, -0.0011505400000000 ]  - [   0.0061171000000000, -0.0011505400000000,  0.0032346800000000 ]  - [   0.0035867800000000, -0.0020700200000000, -0.0020700200000000 ]  - [   0.0095989800000000, -0.0056377400000000, -0.0056377400000000 ]  - [  -0.0024806400000000, -0.0006074100000000, -0.0006074100000000 ]  - [  -0.0565513900000000, -0.0179752300000000,  0.0373617700000000 ]  - [  -0.0565513900000000,  0.0373617700000000, -0.0179752300000000 ]  - [  -0.0002343000000000, -0.0020597100000000,  0.0045250100000000 ]  - [  -0.0002343000000000,  0.0045250100000000, -0.0020597100000000 ]  - [  -0.0121048700000000,  0.0069258000000000,  0.0069258000000000 ]  - [   0.0051243000000000, -0.0012422100000000,  0.0006791200000000 ]  - [   0.0051243000000000,  0.0006791200000000, -0.0012422100000000 ]  - [   0.0006762900000000,  0.0001671700000000,  0.0005443300000000 ]  - [   0.0006762900000000,  0.0005443300000000,  0.0001671700000000 ]  - [   0.0037172500000000, -0.0001467200000000, -0.0001467200000000 ]  - [   0.0018861400000000,  0.0010192900000000, -0.0003918900000000 ]  - [   0.0018861400000000, -0.0003918900000000,  0.0010192900000000 ]  - [   0.0043320400000000, -0.0033936900000000,  0.0019373600000000 ]  - [   0.0043320400000000,  0.0019373600000000, -0.0033936900000000 ]  - [   0.0058301800000000, -0.0002361300000000,  0.0010766900000000 ]  - [   0.0058301800000000,  0.0010766900000000, -0.0002361300000000 ]  - [   0.0020697300000000,  0.0009900200000000, -0.0003015600000000 ]  - [   0.0020697300000000, -0.0003015600000000,  0.0009900200000000 ]  - [   0.0021053700000000,  0.0021996800000000, -0.0014837200000000 ]  - [   0.0021053700000000, -0.0014837200000000,  0.0021996800000000 ]  - [   0.0048536600000000,  0.0009904600000000,  0.0009904600000000 ]  - [   0.0002778200000000,  0.0063243700000000,  0.0007733000000000 ]  - [   0.0002778200000000,  0.0007733000000000,  0.0063243700000000 ]  - [  -0.0322393900000000, -0.0114392600000000, -0.0114392600000000 ]  - [   0.0011199700000000,  0.0005087700000000, -0.0002965400000000 ]  - [   0.0011199700000000, -0.0002965400000000,  0.0005087700000000 ]  - [   0.0029415900000000, -0.0020173800000000,  0.0013275200000000 ]  - [   0.0029415900000000,  0.0013275200000000, -0.0020173800000000 ]  - [   0.0015560800000000,  0.0000680900000000,  0.0000680900000000 ]  - [  -0.0019945800000000,  0.0001763300000000,  0.0004427200000000 ]  - [  -0.0019945800000000,  0.0004427200000000,  0.0001763300000000 ]  - [   0.0028197000000000, -0.0105657600000000,  0.0037361500000000 ]  - [   0.0028197000000000,  0.0037361500000000, -0.0105657600000000 ]  - [   0.0014791600000000,  0.0037692700000000,  0.0037692700000000 ]  - [  -0.0034393900000000, -0.0003567200000000, -0.0029427600000000 ]  - [  -0.0034393900000000, -0.0029427600000000, -0.0003567200000000 ]  - [  -0.0021550400000000, -0.0002969200000000,  0.0016192800000000 ]  - [  -0.0021550400000000,  0.0016192800000000, -0.0002969200000000 ]  - [  -0.0013080600000000,  0.0006530900000000, -0.0003543200000000 ]  - [  -0.0013080600000000, -0.0003543200000000,  0.0006530900000000 ]  - [  -0.0021521000000000, -0.0012807200000000,  0.0032793300000000 ]  - [  -0.0021521000000000,  0.0032793300000000, -0.0012807200000000 ]  - [  -0.0003266900000000,  0.0020562500000000, -0.0057217000000000 ]  - [  -0.0003266900000000, -0.0057217000000000,  0.0020562500000000 ]  - [  -0.0010106500000000,  0.0017092100000000,  0.0017092100000000 ]  - [   0.0026494900000000,  0.0015876700000000,  0.0011020700000000 ]  - [   0.0026494900000000,  0.0011020700000000,  0.0015876700000000 ]  - [   0.0009567800000000,  0.0007452800000000,  0.0007452800000000 ]- atom:   14  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0163740200000000, -0.0012428300000000,  0.0026009000000000 ]  - [  -0.0060946400000000,  0.0000051900000000, -0.0017301300000000 ]  - [   0.0188724400000000,  0.0205673300000000,  0.0009139400000000 ]  - [   0.0002158100000000, -0.0020129600000000, -0.0007359400000000 ]  - [   0.0038511200000000,  0.0005411700000000, -0.0002649500000000 ]  - [   0.0085187600000000, -0.0000002600000000,  0.0013735100000000 ]  - [   0.0038546300000000, -0.0005509300000000, -0.0002747800000000 ]  - [   0.0024130500000000,  0.0000022500000000,  0.0000118000000000 ]  - [   0.0002086700000000,  0.0020092000000000, -0.0007326400000000 ]  - [   0.0187902700000000, -0.0203849500000000,  0.0008698900000000 ]  - [  -0.0164204800000000,  0.0012082100000000,  0.0026634400000000 ]  - [  -0.0015546100000000, -0.0000022600000000,  0.0001331300000000 ]  - [   0.0152363000000000,  0.0125150000000000, -0.0157533900000000 ]  - [  -0.1649108100000000, -0.0024197600000000, -0.0646359100000000 ]  - [  -0.0044393600000000,  0.0016401500000000, -0.0002293200000000 ]  - [  -0.0048192900000000,  0.0000246000000000,  0.0000000600000000 ]  - [  -0.0044414600000000, -0.0016453800000000, -0.0001651600000000 ]  - [   0.0003571500000000,  0.0007462300000000,  0.0012269600000000 ]  - [   0.0153676800000000, -0.0124512600000000, -0.0159159800000000 ]  - [   0.0107636000000000, -0.0056601800000000,  0.0126369500000000 ]  - [   0.0011628800000000, -0.0042661300000000,  0.0016460500000000 ]  - [   0.0012310600000000,  0.0042403200000000,  0.0016376000000000 ]  - [   0.0000978200000000,  0.0006312900000000, -0.0007510400000000 ]  - [   0.0013579000000000, -0.0000271600000000, -0.0001902200000000 ]  - [   0.0058838800000000,  0.0002087000000000, -0.0002049100000000 ]  - [   0.0067345400000000,  0.0000341200000000,  0.0000001300000000 ]  - [   0.0058874700000000, -0.0002002400000000, -0.0001411000000000 ]  - [   0.0107714900000000,  0.0056241200000000,  0.0125986000000000 ]  - [   0.0001402500000000, -0.0005938200000000, -0.0007899300000000 ]  - [   0.0003233200000000, -0.0007879100000000,  0.0011917000000000 ]  - [   0.0002038100000000, -0.0031604000000000,  0.0002054100000000 ]  - [   0.0002645800000000,  0.0031621700000000,  0.0002045000000000 ]  - [   0.0114986700000000, -0.0094249400000000,  0.0016976300000000 ]  - [   0.0021428200000000, -0.0039837100000000,  0.0030861600000000 ]  - [   0.0029168700000000, -0.0011261000000000, -0.0007965400000000 ]  - [   0.0041202800000000,  0.0042593800000000,  0.0011770700000000 ]  - [   0.0023198000000000,  0.0021284600000000,  0.0031364600000000 ]  - [   0.0028788800000000,  0.0010931000000000, -0.0008093700000000 ]  - [   0.0512855900000000,  0.0510624600000000,  0.0324103600000000 ]  - [   0.0009281800000000,  0.0006519900000000, -0.0001782100000000 ]  - [   0.0040964700000000, -0.0042609600000000,  0.0012164800000000 ]  - [   0.0000069100000000, -0.0008752000000000, -0.0037558100000000 ]  - [   0.0010276200000000, -0.0031377800000000, -0.0005994100000000 ]  - [   0.0020882700000000,  0.0039381200000000,  0.0030216800000000 ]  - [   0.0009716100000000, -0.0007154400000000,  0.0003080700000000 ]  - [   0.0123153000000000,  0.0099383200000000,  0.0008931300000000 ]  - [  -0.0045440700000000,  0.0003293000000000, -0.0039136200000000 ]  - [  -0.0054878800000000, -0.0014648500000000, -0.0018979900000000 ]  - [  -0.0010497900000000,  0.0005756100000000, -0.0007149400000000 ]  - [  -0.0038643600000000,  0.0036543300000000, -0.0006601000000000 ]  - [  -0.0010218000000000,  0.0002976600000000,  0.0002480500000000 ]  - [  -0.0065771900000000, -0.0005757900000000,  0.0014533500000000 ]  - [  -0.0032445900000000,  0.0008078800000000,  0.0000511100000000 ]  - [  -0.0012994100000000, -0.0009789200000000,  0.0001099700000000 ]  - [  -0.0032380000000000, -0.0008365700000000,  0.0000905900000000 ]  - [  -0.0039230300000000, -0.0036914500000000, -0.0007261100000000 ]  - [  -0.0006091400000000,  0.0002443300000000,  0.0005245400000000 ]  - [  -0.0015786000000000, -0.0008598600000000,  0.0013082300000000 ]  - [  -0.0037232600000000, -0.0011876400000000, -0.0024504000000000 ]  - [  -0.0034291400000000,  0.0019076800000000,  0.0017394900000000 ]  - [  -0.0012984600000000,  0.0010185600000000,  0.0001434200000000 ]  - [  -0.0037568100000000,  0.0011433500000000, -0.0024501900000000 ]  - [  -0.0010615300000000, -0.0003006900000000,  0.0002091700000000 ]  - [  -0.0066062700000000,  0.0006050600000000,  0.0014459800000000 ]  - [  -0.0034697300000000, -0.0019132300000000,  0.0017767700000000 ]  - [  -0.0011275400000000, -0.0005271500000000, -0.0006683500000000 ]  - [  -0.0045946100000000, -0.0004037600000000, -0.0039619200000000 ]  - [  -0.0016329900000000,  0.0008056400000000,  0.0012367000000000 ]  - [  -0.0055377700000000,  0.0015074500000000, -0.0018070700000000 ]  - [  -0.0006602300000000, -0.0001717800000000,  0.0005748000000000 ]  - [   0.0010752500000000,  0.0030786700000000, -0.0005468900000000 ]  - [   0.0010226200000000,  0.0007676100000000,  0.0002329800000000 ]  - [   0.0000790000000000,  0.0009141900000000, -0.0038144100000000 ]  - [   0.0015192700000000,  0.0001876400000000, -0.0004296800000000 ]  - [   0.0504012300000000, -0.0492533800000000,  0.0309769100000000 ]  - [   0.0009686200000000, -0.0006071100000000, -0.0001889300000000 ]  - [   0.0012200800000000,  0.0009090000000000,  0.0006202800000000 ]  - [   0.0023240700000000, -0.0020987900000000,  0.0031023600000000 ]  - [   0.0012253600000000, -0.0009485400000000,  0.0006596700000000 ]  - [   0.0014496100000000, -0.0002357800000000, -0.0004805900000000 ]- atom:   14  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0035183200000000,  0.0085058800000000,  0.0152673800000000 ]  - [   0.0000000000000000, -0.0024454000000000,  0.0000000000000000 ]  - [   0.0152673800000000,  0.0085058800000000, -0.0035183200000000 ]  - [  -0.0012445100000000, -0.0000270100000000, -0.0001269300000000 ]  - [  -0.0001269300000000, -0.0000270100000000, -0.0012445100000000 ]  - [   0.0000000000000000, -0.0024454000000000,  0.0000000000000000 ]  - [   0.0001269300000000, -0.0000270100000000,  0.0012445100000000 ]  - [   0.0000000000000000,  0.0025405900000000,  0.0000000000000000 ]  - [   0.0012445100000000, -0.0000270100000000,  0.0001269300000000 ]  - [  -0.0152673800000000,  0.0085058800000000,  0.0035183200000000 ]  - [   0.0035183200000000,  0.0085058800000000, -0.0152673800000000 ]  - [   0.0000000000000000,  0.0025405900000000,  0.0000000000000000 ]  - [   0.0006099200000000, -0.0032498100000000, -0.0006099200000000 ]  - [   0.0000000000000000, -0.2461791600000000,  0.0000000000000000 ]  - [  -0.0002049000000000,  0.0012181700000000, -0.0043294200000000 ]  - [   0.0000000000000000,  0.0068707600000000,  0.0000000000000000 ]  - [   0.0002049000000000,  0.0012181700000000,  0.0043294200000000 ]  - [   0.0008316800000000,  0.0026943900000000,  0.0008316800000000 ]  - [  -0.0006099200000000, -0.0032498100000000,  0.0006099200000000 ]  - [   0.0037820500000000, -0.0096532500000000,  0.0037820500000000 ]  - [  -0.0043294200000000,  0.0012181700000000, -0.0002049000000000 ]  - [   0.0043294200000000,  0.0012181700000000,  0.0002049000000000 ]  - [   0.0010578900000000,  0.0025233200000000, -0.0010578900000000 ]  - [   0.0000000000000000,  0.0004063300000000,  0.0000000000000000 ]  - [  -0.0001765700000000,  0.0002260200000000, -0.0000302700000000 ]  - [   0.0000000000000000, -0.0009052800000000,  0.0000000000000000 ]  - [   0.0001765700000000,  0.0002260200000000,  0.0000302700000000 ]  - [  -0.0037820500000000, -0.0096532500000000, -0.0037820500000000 ]  - [  -0.0010578900000000,  0.0025233200000000,  0.0010578900000000 ]  - [  -0.0008316800000000,  0.0026943900000000, -0.0008316800000000 ]  - [  -0.0000302700000000,  0.0002260200000000, -0.0001765700000000 ]  - [   0.0000302700000000,  0.0002260200000000,  0.0001765700000000 ]  - [  -0.0125351500000000,  0.0295114300000000,  0.0125351500000000 ]  - [  -0.0008459100000000,  0.0012700000000000,  0.0005477600000000 ]  - [  -0.0003656800000000,  0.0006499700000000, -0.0008936600000000 ]  - [   0.0018546300000000, -0.0054749200000000, -0.0018546300000000 ]  - [   0.0008611900000000,  0.0005616500000000, -0.0005356600000000 ]  - [   0.0003656800000000,  0.0006499700000000,  0.0008936600000000 ]  - [   0.0473548100000000,  0.0840624500000000,  0.0473548100000000 ]  - [   0.0010232500000000, -0.0011133600000000, -0.0012694900000000 ]  - [  -0.0018546300000000, -0.0054749200000000,  0.0018546300000000 ]  - [  -0.0013729700000000,  0.0028911800000000, -0.0014426500000000 ]  - [  -0.0011584600000000, -0.0015136000000000, -0.0011584600000000 ]  - [   0.0008459100000000,  0.0012700000000000, -0.0005477600000000 ]  - [   0.0013498000000000, -0.0017600700000000,  0.0007124800000000 ]  - [   0.0125351500000000,  0.0295114300000000, -0.0125351500000000 ]  - [   0.0001308800000000,  0.0006212100000000,  0.0001308800000000 ]  - [  -0.0014426500000000,  0.0028911800000000, -0.0013729700000000 ]  - [   0.0007124800000000, -0.0017600700000000,  0.0013498000000000 ]  - [   0.0005477600000000,  0.0012700000000000, -0.0008459100000000 ]  - [   0.0002380700000000, -0.0005124700000000,  0.0002380700000000 ]  - [  -0.0005356600000000,  0.0005616500000000,  0.0008611900000000 ]  - [   0.0008936600000000,  0.0006499700000000,  0.0003656800000000 ]  - [  -0.0012694900000000, -0.0011133600000000,  0.0010232500000000 ]  - [  -0.0008936600000000,  0.0006499700000000, -0.0003656800000000 ]  - [  -0.0005477600000000,  0.0012700000000000,  0.0008459100000000 ]  - [  -0.0003577200000000, -0.0004781600000000,  0.0003577200000000 ]  - [  -0.0002115300000000, -0.0012928700000000,  0.0007948400000000 ]  - [  -0.0010803600000000, -0.0009571500000000, -0.0010131900000000 ]  - [  -0.0001142100000000,  0.0009330400000000,  0.0001142100000000 ]  - [   0.0012694900000000, -0.0011133600000000, -0.0010232500000000 ]  - [   0.0010803600000000, -0.0009571500000000,  0.0010131900000000 ]  - [  -0.0002380700000000, -0.0005124700000000, -0.0002380700000000 ]  - [   0.0005356600000000,  0.0005616500000000, -0.0008611900000000 ]  - [   0.0001142100000000,  0.0009330400000000, -0.0001142100000000 ]  - [  -0.0007124800000000, -0.0017600700000000, -0.0013498000000000 ]  - [  -0.0001308800000000,  0.0006212100000000, -0.0001308800000000 ]  - [   0.0002115300000000, -0.0012928700000000, -0.0007948400000000 ]  - [   0.0014426500000000,  0.0028911800000000,  0.0013729700000000 ]  - [   0.0003577200000000, -0.0004781600000000, -0.0003577200000000 ]  - [   0.0011584600000000, -0.0015136000000000,  0.0011584600000000 ]  - [  -0.0013498000000000, -0.0017600700000000, -0.0007124800000000 ]  - [   0.0013729700000000,  0.0028911800000000,  0.0014426500000000 ]  - [   0.0007948400000000, -0.0012928700000000, -0.0002115300000000 ]  - [  -0.0473548100000000,  0.0840624500000000, -0.0473548100000000 ]  - [  -0.0010232500000000, -0.0011133600000000,  0.0012694900000000 ]  - [   0.0010131900000000, -0.0009571500000000,  0.0010803600000000 ]  - [  -0.0008611900000000,  0.0005616500000000,  0.0005356600000000 ]  - [  -0.0010131900000000, -0.0009571500000000, -0.0010803600000000 ]  - [  -0.0007948400000000, -0.0012928700000000,  0.0002115300000000 ]- atom:   14  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0035489900000000, -0.0085311600000000, -0.0151612000000000 ]  - [   0.0000000000000000,  0.0024671300000000,  0.0000000000000000 ]  - [  -0.0151612000000000, -0.0085311600000000,  0.0035489900000000 ]  - [   0.0012558700000000,  0.0000404900000000,  0.0001349000000000 ]  - [   0.0001349000000000,  0.0000404900000000,  0.0012558700000000 ]  - [   0.0000000000000000,  0.0024671300000000,  0.0000000000000000 ]  - [  -0.0001349000000000,  0.0000404900000000, -0.0012558700000000 ]  - [   0.0000000000000000, -0.0025605600000000,  0.0000000000000000 ]  - [  -0.0012558700000000,  0.0000404900000000, -0.0001349000000000 ]  - [   0.0151612000000000, -0.0085311600000000, -0.0035489900000000 ]  - [  -0.0035489900000000, -0.0085311600000000,  0.0151612000000000 ]  - [   0.0000000000000000, -0.0025605600000000,  0.0000000000000000 ]  - [  -0.0006120100000000,  0.0033761800000000,  0.0006120100000000 ]  - [   0.0000000000000000,  0.2414725400000000,  0.0000000000000000 ]  - [   0.0001897300000000, -0.0011764800000000,  0.0042849600000000 ]  - [   0.0000000000000000, -0.0067588400000000,  0.0000000000000000 ]  - [  -0.0001897300000000, -0.0011764800000000, -0.0042849600000000 ]  - [  -0.0007898300000000, -0.0027485300000000, -0.0007898300000000 ]  - [   0.0006120100000000,  0.0033761800000000, -0.0006120100000000 ]  - [  -0.0038987700000000,  0.0096745700000000, -0.0038987700000000 ]  - [   0.0042849600000000, -0.0011764800000000,  0.0001897300000000 ]  - [  -0.0042849600000000, -0.0011764800000000, -0.0001897300000000 ]  - [  -0.0010817900000000, -0.0024912100000000,  0.0010817900000000 ]  - [   0.0000000000000000, -0.0004636800000000,  0.0000000000000000 ]  - [   0.0001688300000000, -0.0002426500000000, -0.0000243100000000 ]  - [   0.0000000000000000,  0.0009702700000000,  0.0000000000000000 ]  - [  -0.0001688300000000, -0.0002426500000000,  0.0000243100000000 ]  - [   0.0038987700000000,  0.0096745700000000,  0.0038987700000000 ]  - [   0.0010817900000000, -0.0024912100000000, -0.0010817900000000 ]  - [   0.0007898300000000, -0.0027485300000000,  0.0007898300000000 ]  - [  -0.0000243100000000, -0.0002426500000000,  0.0001688300000000 ]  - [   0.0000243100000000, -0.0002426500000000, -0.0001688300000000 ]  - [   0.0122836000000000, -0.0294141900000000, -0.0122836000000000 ]  - [   0.0009097700000000, -0.0013483500000000, -0.0004670200000000 ]  - [   0.0004010100000000, -0.0006987900000000,  0.0009231900000000 ]  - [  -0.0017865500000000,  0.0054382900000000,  0.0017865500000000 ]  - [  -0.0008664700000000, -0.0005156000000000,  0.0005993200000000 ]  - [  -0.0004010100000000, -0.0006987900000000, -0.0009231900000000 ]  - [  -0.0450281400000000, -0.0818617200000000, -0.0450281400000000 ]  - [  -0.0010626500000000,  0.0011502900000000,  0.0012830700000000 ]  - [   0.0017865500000000,  0.0054382900000000, -0.0017865500000000 ]  - [   0.0013004000000000, -0.0028581500000000,  0.0014981800000000 ]  - [   0.0010936300000000,  0.0014629300000000,  0.0010936300000000 ]  - [  -0.0009097700000000, -0.0013483500000000,  0.0004670200000000 ]  - [  -0.0014068300000000,  0.0018184600000000, -0.0006462000000000 ]  - [  -0.0122836000000000, -0.0294141900000000,  0.0122836000000000 ]  - [  -0.0000854400000000, -0.0007058600000000, -0.0000854400000000 ]  - [   0.0014981800000000, -0.0028581500000000,  0.0013004000000000 ]  - [  -0.0006462000000000,  0.0018184600000000, -0.0014068300000000 ]  - [  -0.0004670200000000, -0.0013483500000000,  0.0009097700000000 ]  - [  -0.0001993100000000,  0.0005008700000000, -0.0001993100000000 ]  - [   0.0005993200000000, -0.0005156000000000, -0.0008664700000000 ]  - [  -0.0009231900000000, -0.0006987900000000, -0.0004010100000000 ]  - [   0.0012830700000000,  0.0011502900000000, -0.0010626500000000 ]  - [   0.0009231900000000, -0.0006987900000000,  0.0004010100000000 ]  - [   0.0004670200000000, -0.0013483500000000, -0.0009097700000000 ]  - [   0.0003995100000000,  0.0005494000000000, -0.0003995100000000 ]  - [   0.0002540600000000,  0.0012594300000000, -0.0007217300000000 ]  - [   0.0011183200000000,  0.0009282700000000,  0.0010213600000000 ]  - [   0.0001626900000000, -0.0009489500000000, -0.0001626900000000 ]  - [  -0.0012830700000000,  0.0011502900000000,  0.0010626500000000 ]  - [  -0.0011183200000000,  0.0009282700000000, -0.0010213600000000 ]  - [   0.0001993100000000,  0.0005008700000000,  0.0001993100000000 ]  - [  -0.0005993200000000, -0.0005156000000000,  0.0008664700000000 ]  - [  -0.0001626900000000, -0.0009489500000000,  0.0001626900000000 ]  - [   0.0006462000000000,  0.0018184600000000,  0.0014068300000000 ]  - [   0.0000854400000000, -0.0007058600000000,  0.0000854400000000 ]  - [  -0.0002540600000000,  0.0012594300000000,  0.0007217300000000 ]  - [  -0.0014981800000000, -0.0028581500000000, -0.0013004000000000 ]  - [  -0.0003995100000000,  0.0005494000000000,  0.0003995100000000 ]  - [  -0.0010936300000000,  0.0014629300000000, -0.0010936300000000 ]  - [   0.0014068300000000,  0.0018184600000000,  0.0006462000000000 ]  - [  -0.0013004000000000, -0.0028581500000000, -0.0014981800000000 ]  - [  -0.0007217300000000,  0.0012594300000000,  0.0002540600000000 ]  - [   0.0450281400000000, -0.0818617200000000,  0.0450281400000000 ]  - [   0.0010626500000000,  0.0011502900000000, -0.0012830700000000 ]  - [  -0.0010213600000000,  0.0009282700000000, -0.0011183200000000 ]  - [   0.0008664700000000, -0.0005156000000000, -0.0005993200000000 ]  - [   0.0010213600000000,  0.0009282700000000,  0.0011183200000000 ]  - [   0.0007217300000000,  0.0012594300000000, -0.0002540600000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0048324000000000, -0.0076728700000000, -0.0094145700000000 ]  - [   0.0018071200000000,  0.0010861000000000,  0.0002065800000000 ]  - [  -0.0070211900000000, -0.0045546600000000,  0.0011658700000000 ]  - [  -0.0013630400000000,  0.0000272500000000,  0.0004087400000000 ]  - [  -0.0039199800000000, -0.0029954100000000, -0.0006817200000000 ]  - [  -0.0050404200000000, -0.0013952800000000, -0.0038410700000000 ]  - [  -0.0009807700000000, -0.0002089200000000,  0.0005190600000000 ]  - [  -0.0011687200000000,  0.0006969700000000, -0.0007057900000000 ]  - [   0.0028532600000000, -0.0020140000000000,  0.0021891400000000 ]  - [   0.0075962000000000,  0.0053037300000000, -0.0070039800000000 ]  - [   0.0009948000000000, -0.0029274000000000,  0.0032789200000000 ]  - [   0.0011079200000000, -0.0007117500000000, -0.0000420000000000 ]  - [   0.0566363100000000,  0.0104333800000000, -0.0374150900000000 ]  - [   0.0123222500000000, -0.0126440700000000,  0.0008416700000000 ]  - [   0.0021298600000000, -0.0007011000000000, -0.0009094100000000 ]  - [   0.0010620400000000, -0.0010989100000000,  0.0005702600000000 ]  - [   0.0009977600000000,  0.0006928700000000,  0.0014096300000000 ]  - [  -0.0018866700000000, -0.0009888900000000, -0.0003621100000000 ]  - [  -0.0043262800000000,  0.0037657200000000,  0.0033958900000000 ]  - [  -0.0058231600000000,  0.0033094400000000, -0.0029403700000000 ]  - [  -0.0018164300000000,  0.0005536200000000, -0.0007386200000000 ]  - [   0.0013325700000000, -0.0036714100000000, -0.0039576900000000 ]  - [  -0.0011138500000000, -0.0007546000000000,  0.0002910800000000 ]  - [  -0.0006372600000000, -0.0004058000000000,  0.0005476700000000 ]  - [  -0.0016100300000000, -0.0004587300000000, -0.0002595200000000 ]  - [  -0.0045660800000000, -0.0000721100000000,  0.0039324900000000 ]  - [  -0.0055113800000000,  0.0037690200000000,  0.0014861800000000 ]  - [   0.0034235400000000,  0.0012875600000000,  0.0010755300000000 ]  - [   0.0021414200000000, -0.0001455300000000,  0.0003033700000000 ]  - [   0.0013071600000000, -0.0002951100000000, -0.0003893100000000 ]  - [   0.0028265600000000,  0.0009016300000000,  0.0014949400000000 ]  - [  -0.0012441900000000, -0.0002134100000000, -0.0008375800000000 ]  - [  -0.1119009200000000, -0.0242917800000000,  0.0630622700000000 ]  - [  -0.0078390600000000,  0.0017634800000000,  0.0020212900000000 ]  - [  -0.0008474900000000, -0.0000830800000000, -0.0009458100000000 ]  - [  -0.0035272800000000,  0.0035413800000000, -0.0012217900000000 ]  - [  -0.0058268300000000, -0.0001200200000000,  0.0024993100000000 ]  - [  -0.0010292200000000, -0.0004929200000000, -0.0000267800000000 ]  - [   0.0262767600000000,  0.0056317000000000, -0.0066915000000000 ]  - [   0.0002103400000000, -0.0002075600000000, -0.0006191200000000 ]  - [  -0.0005556100000000,  0.0019698200000000, -0.0001619300000000 ]  - [   0.0014636400000000, -0.0004835500000000,  0.0016971000000000 ]  - [   0.0010185700000000,  0.0019324600000000,  0.0000256600000000 ]  - [   0.0000320100000000, -0.0008329800000000, -0.0008412900000000 ]  - [   0.0000306600000000,  0.0004191200000000, -0.0000902900000000 ]  - [   0.0085969000000000,  0.0057858200000000, -0.0086726800000000 ]  - [   0.0031588300000000, -0.0003234300000000,  0.0020158300000000 ]  - [   0.0051808900000000,  0.0012771300000000,  0.0004131400000000 ]  - [   0.0011615900000000, -0.0000122700000000,  0.0004452300000000 ]  - [   0.0014272100000000, -0.0007555200000000,  0.0004145800000000 ]  - [   0.0009743000000000,  0.0008169100000000, -0.0005002500000000 ]  - [   0.0026195400000000, -0.0004593100000000,  0.0002407000000000 ]  - [   0.0026122800000000,  0.0002388600000000,  0.0004176400000000 ]  - [  -0.0001345500000000,  0.0014824700000000,  0.0006048800000000 ]  - [  -0.0000036400000000,  0.0002929600000000,  0.0017863600000000 ]  - [   0.0037717100000000,  0.0067447400000000,  0.0017573300000000 ]  - [   0.0009255000000000,  0.0002689200000000, -0.0007493300000000 ]  - [   0.0014101500000000,  0.0002601700000000, -0.0004524900000000 ]  - [   0.0030004300000000, -0.0009209200000000,  0.0020042700000000 ]  - [   0.0017128400000000,  0.0005271000000000, -0.0013851800000000 ]  - [   0.0011572600000000, -0.0003792700000000, -0.0001225800000000 ]  - [   0.0023097100000000, -0.0008612900000000,  0.0019187000000000 ]  - [   0.0001395800000000,  0.0005474400000000, -0.0005355000000000 ]  - [   0.0157329800000000, -0.0044344100000000, -0.0007048900000000 ]  - [   0.0051647700000000,  0.0070256500000000, -0.0054251600000000 ]  - [   0.0002683800000000,  0.0007531900000000,  0.0008318600000000 ]  - [  -0.0015913600000000, -0.0000894800000000, -0.0020127800000000 ]  - [  -0.0006187300000000, -0.0016855800000000, -0.0001914900000000 ]  - [  -0.0006239400000000,  0.0003063000000000,  0.0015011600000000 ]  - [  -0.0005154500000000,  0.0008133200000000,  0.0000696100000000 ]  - [  -0.0015512000000000,  0.0000563300000000, -0.0000257500000000 ]  - [  -0.0010543000000000, -0.0004460600000000, -0.0005118600000000 ]  - [  -0.0010648100000000,  0.0000357600000000, -0.0012904000000000 ]  - [  -0.0015873500000000,  0.0004786900000000,  0.0003049000000000 ]  - [  -0.0058763100000000,  0.0030723800000000, -0.0070688800000000 ]  - [  -0.0007202800000000,  0.0005993300000000,  0.0001977600000000 ]  - [  -0.0017246900000000, -0.0000009600000000, -0.0008303400000000 ]  - [  -0.0000428100000000, -0.0000913700000000, -0.0009373900000000 ]  - [   0.0027120000000000,  0.0018564100000000,  0.0039082600000000 ]  - [   0.0002253000000000,  0.0005765800000000,  0.0002594200000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0045726400000000,  0.0079004600000000,  0.0095345600000000 ]  - [  -0.0017816400000000, -0.0010974400000000, -0.0001979500000000 ]  - [   0.0070200700000000,  0.0045474200000000, -0.0011336500000000 ]  - [   0.0013674700000000, -0.0000237500000000, -0.0004107900000000 ]  - [   0.0039162700000000,  0.0029973500000000,  0.0006712000000000 ]  - [   0.0050496300000000,  0.0014157100000000,  0.0038643100000000 ]  - [   0.0009773800000000,  0.0002107500000000, -0.0005195900000000 ]  - [   0.0011600100000000, -0.0006976800000000,  0.0007141300000000 ]  - [  -0.0028690700000000,  0.0020045200000000, -0.0021728400000000 ]  - [  -0.0077696600000000, -0.0051387100000000,  0.0068637900000000 ]  - [  -0.0009920800000000,  0.0029362700000000, -0.0032843400000000 ]  - [  -0.0011004600000000,  0.0007119000000000,  0.0000405500000000 ]  - [  -0.0582829700000000, -0.0116966100000000,  0.0394667400000000 ]  - [  -0.0114941300000000,  0.0121825700000000, -0.0017454900000000 ]  - [  -0.0021023400000000,  0.0006864700000000,  0.0008474700000000 ]  - [  -0.0010426300000000,  0.0011508900000000, -0.0005767900000000 ]  - [  -0.0009948100000000, -0.0006916300000000, -0.0013493100000000 ]  - [   0.0019312000000000,  0.0009451400000000,  0.0003952100000000 ]  - [   0.0043766000000000, -0.0037361100000000, -0.0034368200000000 ]  - [   0.0057660600000000, -0.0033218200000000,  0.0028727900000000 ]  - [   0.0017622200000000, -0.0005486100000000,  0.0007427500000000 ]  - [  -0.0012879600000000,  0.0036731100000000,  0.0039638400000000 ]  - [   0.0010787300000000,  0.0007917400000000, -0.0002494800000000 ]  - [   0.0006337300000000,  0.0003508100000000, -0.0005489800000000 ]  - [   0.0015989000000000,  0.0004495600000000,  0.0002074100000000 ]  - [   0.0045694000000000,  0.0001447100000000, -0.0039432400000000 ]  - [   0.0055151100000000, -0.0037997000000000, -0.0014562900000000 ]  - [  -0.0033959100000000, -0.0013349800000000, -0.0010363800000000 ]  - [  -0.0021171100000000,  0.0001913000000000, -0.0003473800000000 ]  - [  -0.0013505600000000,  0.0002620400000000,  0.0003519100000000 ]  - [  -0.0029238100000000, -0.0008875800000000, -0.0014763500000000 ]  - [   0.0013044700000000,  0.0002110500000000,  0.0008283400000000 ]  - [   0.1125731200000000,  0.0255649700000000, -0.0639701600000000 ]  - [   0.0079241700000000, -0.0017741500000000, -0.0020045100000000 ]  - [   0.0008853900000000,  0.0000465600000000,  0.0009436300000000 ]  - [   0.0035225600000000, -0.0035999100000000,  0.0012054800000000 ]  - [   0.0058180900000000,  0.0001299700000000, -0.0025847900000000 ]  - [   0.0009804400000000,  0.0004538300000000,  0.0000268900000000 ]  - [  -0.0257606500000000, -0.0054825600000000,  0.0065136500000000 ]  - [  -0.0002504800000000,  0.0002448900000000,  0.0006232800000000 ]  - [   0.0005062000000000, -0.0019554100000000,  0.0001947300000000 ]  - [  -0.0015373200000000,  0.0005341100000000, -0.0016329800000000 ]  - [  -0.0010768900000000, -0.0019975700000000, -0.0000772300000000 ]  - [  -0.0000850300000000,  0.0007854300000000,  0.0007678600000000 ]  - [  -0.0000860600000000, -0.0003657200000000,  0.0001614400000000 ]  - [  -0.0086573300000000, -0.0057205900000000,  0.0087330700000000 ]  - [  -0.0031030700000000,  0.0002505200000000, -0.0019584600000000 ]  - [  -0.0051358000000000, -0.0012412300000000, -0.0004741300000000 ]  - [  -0.0010927000000000,  0.0000623400000000, -0.0004935400000000 ]  - [  -0.0013596700000000,  0.0007076600000000, -0.0003703100000000 ]  - [  -0.0009343500000000, -0.0008238100000000,  0.0005426800000000 ]  - [  -0.0025810700000000,  0.0004971800000000, -0.0002619000000000 ]  - [  -0.0026219200000000, -0.0002832700000000, -0.0004580900000000 ]  - [   0.0001439300000000, -0.0014541200000000, -0.0006447300000000 ]  - [   0.0000144300000000, -0.0003368200000000, -0.0017541000000000 ]  - [  -0.0038877800000000, -0.0068497400000000, -0.0017799900000000 ]  - [  -0.0008767200000000, -0.0001983700000000,  0.0007004900000000 ]  - [  -0.0013562300000000, -0.0003039300000000,  0.0005149100000000 ]  - [  -0.0029698000000000,  0.0009028700000000, -0.0020036900000000 ]  - [  -0.0016757000000000, -0.0005271300000000,  0.0013493600000000 ]  - [  -0.0011620100000000,  0.0004183100000000,  0.0001608200000000 ]  - [  -0.0023158500000000,  0.0008099000000000, -0.0019073800000000 ]  - [  -0.0001743500000000, -0.0005496300000000,  0.0004951100000000 ]  - [  -0.0160878600000000,  0.0045653100000000,  0.0006816500000000 ]  - [  -0.0052086300000000, -0.0070337800000000,  0.0054696700000000 ]  - [  -0.0003396400000000, -0.0007095400000000, -0.0007866700000000 ]  - [   0.0015440200000000,  0.0000173500000000,  0.0019611700000000 ]  - [   0.0005848300000000,  0.0016444800000000,  0.0001186900000000 ]  - [   0.0005795500000000, -0.0002540800000000, -0.0014326300000000 ]  - [   0.0004706500000000, -0.0007419800000000, -0.0000204900000000 ]  - [   0.0016006200000000, -0.0001286200000000,  0.0000772000000000 ]  - [   0.0011010400000000,  0.0004932600000000,  0.0004399500000000 ]  - [   0.0011428300000000,  0.0000207900000000,  0.0012277000000000 ]  - [   0.0016573400000000, -0.0005390700000000, -0.0002555000000000 ]  - [   0.0058211100000000, -0.0030803000000000,  0.0071580000000000 ]  - [   0.0007541000000000, -0.0005517600000000, -0.0002040500000000 ]  - [   0.0017217700000000, -0.0000443100000000,  0.0007874200000000 ]  - [   0.0000398800000000,  0.0001305600000000,  0.0008994000000000 ]  - [  -0.0026968700000000, -0.0018952100000000, -0.0038534700000000 ]  - [  -0.0003017600000000, -0.0006268300000000, -0.0003048200000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0084625300000000, -0.0001662300000000, -0.0097102100000000 ]  - [   0.0005683600000000,  0.0030558400000000,  0.0007958900000000 ]  - [  -0.0004316700000000,  0.0013326000000000,  0.0019845500000000 ]  - [   0.0002169800000000, -0.0005677200000000, -0.0000558200000000 ]  - [  -0.0017099200000000, -0.0020793200000000,  0.0014739600000000 ]  - [  -0.0007958900000000,  0.0030558400000000, -0.0005683600000000 ]  - [   0.0000558200000000, -0.0005677200000000, -0.0002169800000000 ]  - [   0.0005447800000000, -0.0020406900000000, -0.0001267000000000 ]  - [  -0.0014739600000000, -0.0020793200000000,  0.0017099200000000 ]  - [   0.0097102100000000, -0.0001662300000000,  0.0084625300000000 ]  - [  -0.0019845500000000,  0.0013326000000000,  0.0004316700000000 ]  - [   0.0001267000000000, -0.0020406900000000, -0.0005447800000000 ]  - [   0.0183297900000000,  0.0320265600000000, -0.0183297900000000 ]  - [  -0.0095731600000000,  0.0294947500000000,  0.0095731600000000 ]  - [   0.0030425300000000, -0.0038880500000000,  0.0004745900000000 ]  - [  -0.0031180700000000, -0.0014496100000000,  0.0031180700000000 ]  - [  -0.0002720800000000, -0.0010897200000000, -0.0006503300000000 ]  - [  -0.0010447800000000, -0.0020557400000000, -0.0006688800000000 ]  - [   0.0019259300000000, -0.0015055900000000, -0.0019259300000000 ]  - [  -0.0002239000000000,  0.0021701300000000, -0.0003380300000000 ]  - [   0.0006503300000000, -0.0010897200000000,  0.0002720800000000 ]  - [  -0.0004745900000000, -0.0038880500000000, -0.0030425300000000 ]  - [  -0.0004960700000000, -0.0009725400000000,  0.0004960700000000 ]  - [   0.0002096100000000, -0.0005432100000000, -0.0002096100000000 ]  - [   0.0012770500000000,  0.0014895700000000,  0.0007328500000000 ]  - [  -0.0003742300000000,  0.0006922500000000,  0.0003742300000000 ]  - [   0.0018558100000000,  0.0000525900000000, -0.0013089800000000 ]  - [   0.0003380300000000,  0.0021701300000000,  0.0002239000000000 ]  - [   0.0016096300000000, -0.0037489200000000, -0.0016096300000000 ]  - [   0.0006688800000000, -0.0020557400000000,  0.0010447800000000 ]  - [   0.0013089800000000,  0.0000525900000000, -0.0018558100000000 ]  - [  -0.0007328500000000,  0.0014895700000000, -0.0012770500000000 ]  - [  -0.0246680700000000, -0.0684792900000000,  0.0246680700000000 ]  - [   0.0020304000000000,  0.0037809300000000, -0.0073619400000000 ]  - [  -0.0002200300000000,  0.0000721300000000, -0.0009350100000000 ]  - [   0.0049896500000000,  0.0175544600000000, -0.0049896500000000 ]  - [  -0.0009555400000000, -0.0025650000000000,  0.0057465300000000 ]  - [  -0.0007825600000000, -0.0000005400000000, -0.0002325400000000 ]  - [   0.0096545800000000, -0.0039981300000000, -0.0035577800000000 ]  - [  -0.0002119500000000,  0.0007954800000000,  0.0004221800000000 ]  - [   0.0009848500000000, -0.0010163800000000, -0.0009848500000000 ]  - [   0.0007226500000000, -0.0016030900000000,  0.0001772900000000 ]  - [   0.0019477000000000,  0.0008835000000000,  0.0000689700000000 ]  - [   0.0001038200000000,  0.0002822600000000,  0.0003180100000000 ]  - [  -0.0008254700000000,  0.0014158100000000, -0.0003140000000000 ]  - [  -0.0057840100000000, -0.0060631200000000,  0.0057840100000000 ]  - [   0.0003129900000000, -0.0002899500000000,  0.0000784600000000 ]  - [  -0.0004199900000000, -0.0010788700000000,  0.0002030200000000 ]  - [   0.0000697100000000,  0.0011531900000000, -0.0005015000000000 ]  - [  -0.0003180100000000,  0.0002822600000000, -0.0001038200000000 ]  - [   0.0001011400000000,  0.0008841700000000, -0.0003195600000000 ]  - [  -0.0007971300000000, -0.0008422800000000, -0.0000586500000000 ]  - [   0.0009350100000000,  0.0000721300000000,  0.0002200300000000 ]  - [   0.0002391000000000,  0.0019729500000000, -0.0001163800000000 ]  - [   0.0002325400000000, -0.0000005400000000,  0.0007825600000000 ]  - [   0.0073619400000000,  0.0037809300000000, -0.0020304000000000 ]  - [   0.0002583500000000,  0.0004744300000000, -0.0002583500000000 ]  - [  -0.0004614000000000,  0.0002377000000000, -0.0002399200000000 ]  - [  -0.0002982200000000,  0.0000216400000000,  0.0000508300000000 ]  - [  -0.0000822700000000,  0.0003853900000000,  0.0000822700000000 ]  - [  -0.0004221800000000,  0.0007954800000000,  0.0002119500000000 ]  - [  -0.0049550100000000,  0.0021260700000000, -0.0033476200000000 ]  - [   0.0003195600000000,  0.0008841700000000, -0.0001011400000000 ]  - [  -0.0057465300000000, -0.0025650000000000,  0.0009555400000000 ]  - [   0.0008876900000000,  0.0002968600000000, -0.0008876900000000 ]  - [   0.0003140000000000,  0.0014158100000000,  0.0008254700000000 ]  - [  -0.0000784600000000, -0.0002899500000000, -0.0003129900000000 ]  - [  -0.0015001000000000,  0.0014780600000000,  0.0007256000000000 ]  - [  -0.0001772900000000, -0.0016030900000000, -0.0007226500000000 ]  - [  -0.0008060800000000,  0.0009754100000000,  0.0008060800000000 ]  - [  -0.0000689700000000,  0.0008835000000000, -0.0019477000000000 ]  - [   0.0005015000000000,  0.0011531900000000, -0.0000697100000000 ]  - [  -0.0002030200000000, -0.0010788700000000,  0.0004199900000000 ]  - [  -0.0007256000000000,  0.0014780600000000,  0.0015001000000000 ]  - [   0.0035577800000000, -0.0039981300000000, -0.0096545800000000 ]  - [   0.0001163800000000,  0.0019729500000000, -0.0002391000000000 ]  - [  -0.0000508300000000,  0.0000216400000000,  0.0002982200000000 ]  - [   0.0000586500000000, -0.0008422800000000,  0.0007971300000000 ]  - [   0.0033476200000000,  0.0021260700000000,  0.0049550100000000 ]  - [   0.0002399200000000,  0.0002377000000000,  0.0004614000000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0086543200000000,  0.0004391700000000,  0.0098352400000000 ]  - [  -0.0005708400000000, -0.0030758700000000, -0.0008019300000000 ]  - [   0.0004437300000000, -0.0013132300000000, -0.0019867000000000 ]  - [  -0.0002239100000000,  0.0005623700000000,  0.0000513000000000 ]  - [   0.0017128300000000,  0.0020723100000000, -0.0014990700000000 ]  - [   0.0008019300000000, -0.0030758700000000,  0.0005708400000000 ]  - [  -0.0000513000000000,  0.0005623700000000,  0.0002239100000000 ]  - [  -0.0005348300000000,  0.0020383400000000,  0.0001248400000000 ]  - [   0.0014990700000000,  0.0020723100000000, -0.0017128300000000 ]  - [  -0.0098352400000000,  0.0004391700000000, -0.0086543200000000 ]  - [   0.0019867000000000, -0.0013132300000000, -0.0004437300000000 ]  - [  -0.0001248400000000,  0.0020383400000000,  0.0005348300000000 ]  - [  -0.0189978800000000, -0.0321446700000000,  0.0189978800000000 ]  - [   0.0097819800000000, -0.0294272300000000, -0.0097819800000000 ]  - [  -0.0030638200000000,  0.0039007900000000, -0.0005348600000000 ]  - [   0.0030976500000000,  0.0015237300000000, -0.0030976500000000 ]  - [   0.0002677100000000,  0.0010844800000000,  0.0007037700000000 ]  - [   0.0010710400000000,  0.0020139800000000,  0.0007092000000000 ]  - [  -0.0018745300000000,  0.0015305700000000,  0.0018745300000000 ]  - [   0.0001885400000000, -0.0022159200000000,  0.0003063900000000 ]  - [  -0.0007037700000000,  0.0010844800000000, -0.0002677100000000 ]  - [   0.0005348600000000,  0.0039007900000000,  0.0030638200000000 ]  - [   0.0004536400000000,  0.0010091200000000, -0.0004536400000000 ]  - [  -0.0002076600000000,  0.0004881400000000,  0.0002076600000000 ]  - [  -0.0012702200000000, -0.0014774600000000, -0.0007814600000000 ]  - [   0.0003606600000000, -0.0006356400000000, -0.0003606600000000 ]  - [  -0.0018473300000000, -0.0000343300000000,  0.0013593800000000 ]  - [  -0.0003063900000000, -0.0022159200000000, -0.0001885400000000 ]  - [  -0.0015579800000000,  0.0037709700000000,  0.0015579800000000 ]  - [  -0.0007092000000000,  0.0020139800000000, -0.0010710400000000 ]  - [  -0.0013593800000000, -0.0000343300000000,  0.0018473300000000 ]  - [   0.0007814600000000, -0.0014774600000000,  0.0012702200000000 ]  - [   0.0251829000000000,  0.0680087300000000, -0.0251829000000000 ]  - [  -0.0019943600000000, -0.0038797200000000,  0.0075566100000000 ]  - [   0.0002606300000000, -0.0001123300000000,  0.0009524200000000 ]  - [  -0.0048779000000000, -0.0172751000000000,  0.0048779000000000 ]  - [   0.0009596500000000,  0.0025684900000000, -0.0057265400000000 ]  - [   0.0007508700000000, -0.0000366500000000,  0.0002266800000000 ]  - [  -0.0097278600000000,  0.0039269500000000,  0.0035457900000000 ]  - [   0.0001729400000000, -0.0007513800000000, -0.0004093800000000 ]  - [  -0.0010173000000000,  0.0010069800000000,  0.0010173000000000 ]  - [  -0.0007883400000000,  0.0016431400000000, -0.0001314800000000 ]  - [  -0.0019844300000000, -0.0009518900000000, -0.0001172100000000 ]  - [  -0.0001496900000000, -0.0003276900000000, -0.0003816000000000 ]  - [   0.0007823800000000, -0.0013703200000000,  0.0003850500000000 ]  - [   0.0057203200000000,  0.0061024400000000, -0.0057203200000000 ]  - [  -0.0002593500000000,  0.0002254600000000, -0.0000268200000000 ]  - [   0.0004688800000000,  0.0011300100000000, -0.0002700800000000 ]  - [  -0.0000044000000000, -0.0011005800000000,  0.0004491300000000 ]  - [   0.0003816000000000, -0.0003276900000000,  0.0001496900000000 ]  - [  -0.0000601800000000, -0.0008910900000000,  0.0003633700000000 ]  - [   0.0008316200000000,  0.0008820000000000,  0.0000521800000000 ]  - [  -0.0009524200000000, -0.0001123300000000, -0.0002606300000000 ]  - [  -0.0002319400000000, -0.0019353500000000,  0.0000755200000000 ]  - [  -0.0002266800000000, -0.0000366500000000, -0.0007508700000000 ]  - [  -0.0075566100000000, -0.0038797200000000,  0.0019943600000000 ]  - [  -0.0002072700000000, -0.0004073600000000,  0.0002072700000000 ]  - [   0.0005082700000000, -0.0002907400000000,  0.0003064900000000 ]  - [   0.0003382000000000, -0.0000716000000000, -0.0000388900000000 ]  - [   0.0001259800000000, -0.0003684600000000, -0.0001259800000000 ]  - [   0.0004093800000000, -0.0007513800000000, -0.0001729400000000 ]  - [   0.0048675900000000, -0.0021427100000000,  0.0033091800000000 ]  - [  -0.0003633700000000, -0.0008910900000000,  0.0000601800000000 ]  - [   0.0057265400000000,  0.0025684900000000, -0.0009596500000000 ]  - [  -0.0009095400000000, -0.0002438100000000,  0.0009095400000000 ]  - [  -0.0003850500000000, -0.0013703200000000, -0.0007823800000000 ]  - [   0.0000268200000000,  0.0002254600000000,  0.0002593500000000 ]  - [   0.0014325500000000, -0.0015248100000000, -0.0007855000000000 ]  - [   0.0001314800000000,  0.0016431400000000,  0.0007883400000000 ]  - [   0.0007477200000000, -0.0009060200000000, -0.0007477200000000 ]  - [   0.0001172100000000, -0.0009518900000000,  0.0019844300000000 ]  - [  -0.0004491300000000, -0.0011005800000000,  0.0000044000000000 ]  - [   0.0002700800000000,  0.0011300100000000, -0.0004688800000000 ]  - [   0.0007855000000000, -0.0015248100000000, -0.0014325500000000 ]  - [  -0.0035457900000000,  0.0039269500000000,  0.0097278600000000 ]  - [  -0.0000755200000000, -0.0019353500000000,  0.0002319400000000 ]  - [   0.0000388900000000, -0.0000716000000000, -0.0003382000000000 ]  - [  -0.0000521800000000,  0.0008820000000000, -0.0008316200000000 ]  - [  -0.0033091800000000, -0.0021427100000000, -0.0048675900000000 ]  - [  -0.0003064900000000, -0.0002907400000000, -0.0005082700000000 ]- atom:   35  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007575200000000, -0.0003634300000000,  0.0009731700000000 ]  - [   0.0230218700000000,  0.0152899200000000, -0.0103062400000000 ]  - [  -0.0002225000000000, -0.0002452900000000, -0.0005542700000000 ]  - [  -0.0065922900000000,  0.0010730900000000,  0.0036994800000000 ]  - [  -0.0019939600000000, -0.0000465100000000, -0.0016947900000000 ]  - [  -0.0023195700000000, -0.0000684000000000,  0.0006156800000000 ]  - [  -0.0041854800000000, -0.0015827900000000,  0.0021189700000000 ]  - [  -0.0010533600000000, -0.0000822800000000, -0.0002304800000000 ]  - [   0.0267463400000000,  0.0131300800000000,  0.0138368300000000 ]  - [   0.0002161000000000,  0.0011243000000000,  0.0010051800000000 ]  - [   0.0029311700000000,  0.0001309200000000, -0.0008624100000000 ]  - [   0.0034838300000000,  0.0018000400000000,  0.0016979100000000 ]  - [   0.0002306600000000,  0.0020606000000000, -0.0009774400000000 ]  - [   0.0029025600000000, -0.0004095100000000,  0.0000709100000000 ]  - [   0.0041115200000000,  0.0011975100000000,  0.0017819900000000 ]  - [   0.0009467500000000,  0.0010668200000000, -0.0001252200000000 ]  - [   0.0512918900000000, -0.0324855000000000,  0.0470951200000000 ]  - [  -0.0006718000000000, -0.0001641100000000,  0.0000681800000000 ]  - [  -0.0050944800000000, -0.0057136300000000, -0.0063718200000000 ]  - [  -0.0020974900000000,  0.0001688900000000,  0.0011067200000000 ]  - [  -0.0011525700000000,  0.0006335400000000, -0.0010019500000000 ]  - [   0.0006992500000000, -0.0011110500000000,  0.0008259100000000 ]  - [  -0.0029344700000000,  0.0020118700000000, -0.0017152500000000 ]  - [  -0.0037275300000000, -0.0011175700000000,  0.0006344800000000 ]  - [  -0.0034586800000000,  0.0017566900000000, -0.0001687100000000 ]  - [  -0.0065765700000000,  0.0005944200000000, -0.0030982400000000 ]  - [  -0.0010421900000000, -0.0002280100000000, -0.0001906900000000 ]  - [  -0.0028784400000000,  0.0105425700000000,  0.0069035300000000 ]  - [   0.0019780200000000, -0.0014802200000000, -0.0015816600000000 ]  - [   0.0003067900000000, -0.0012517500000000,  0.0007830400000000 ]  - [   0.0005131500000000,  0.0005914100000000, -0.0021260600000000 ]  - [  -0.0009092400000000, -0.0011638100000000,  0.0009299500000000 ]  - [  -0.0008390800000000, -0.0002046300000000,  0.0004112500000000 ]  - [  -0.0034744000000000, -0.0012470700000000,  0.0049756000000000 ]  - [  -0.1381327100000000, -0.0050822400000000, -0.0572963000000000 ]  - [  -0.0008485100000000, -0.0004645800000000,  0.0000044600000000 ]  - [  -0.0042536600000000,  0.0027175600000000, -0.0012002200000000 ]  - [   0.0029260100000000, -0.0012897700000000, -0.0068613000000000 ]  - [  -0.0006691400000000, -0.0003049900000000, -0.0002697300000000 ]  - [   0.0049972100000000, -0.0068515100000000, -0.0016801800000000 ]  - [  -0.0006688200000000, -0.0004159300000000,  0.0001599900000000 ]  - [   0.0020839500000000,  0.0008540800000000, -0.0018373900000000 ]  - [   0.0002029200000000, -0.0002273100000000,  0.0001142400000000 ]  - [   0.0262473400000000,  0.0071558800000000,  0.0097430000000000 ]  - [  -0.0005569200000000, -0.0001540900000000, -0.0009627200000000 ]  - [  -0.0010353800000000,  0.0008053200000000,  0.0018001000000000 ]  - [   0.0026158400000000,  0.0007748000000000,  0.0009357500000000 ]  - [   0.0009783700000000,  0.0005409600000000, -0.0001159700000000 ]  - [   0.0008062800000000, -0.0002012400000000,  0.0003721600000000 ]  - [   0.0019940400000000, -0.0006014100000000,  0.0015028900000000 ]  - [   0.0019290800000000, -0.0006062900000000, -0.0004022300000000 ]  - [   0.0021040300000000,  0.0006833300000000,  0.0010730600000000 ]  - [   0.0012858600000000,  0.0000055400000000,  0.0005678200000000 ]  - [   0.0001834400000000,  0.0001601700000000,  0.0002388700000000 ]  - [   0.0014330300000000,  0.0013183400000000, -0.0013576300000000 ]  - [   0.0000577800000000, -0.0000909600000000,  0.0002336200000000 ]  - [   0.0030024500000000, -0.0002835300000000, -0.0008283300000000 ]  - [   0.0017176800000000, -0.0013914900000000, -0.0000684000000000 ]  - [   0.0005326900000000,  0.0000315500000000,  0.0002674900000000 ]  - [   0.0050876000000000,  0.0010425500000000, -0.0003317900000000 ]  - [   0.0013929100000000,  0.0002670700000000, -0.0002391500000000 ]  - [   0.0005889000000000, -0.0006786200000000,  0.0001551400000000 ]  - [   0.0041842000000000,  0.0036755500000000, -0.0026981000000000 ]  - [   0.0005879200000000, -0.0000405300000000, -0.0002024700000000 ]  - [   0.0041892800000000, -0.0035176200000000,  0.0024880200000000 ]  - [  -0.0000155200000000,  0.0004945100000000, -0.0002903100000000 ]  - [   0.0157275300000000, -0.0057124000000000, -0.0025444000000000 ]  - [   0.0001330400000000,  0.0004951300000000,  0.0003019000000000 ]  - [   0.0051738100000000, -0.0054327500000000, -0.0008606400000000 ]  - [   0.0022722000000000,  0.0049154900000000,  0.0038804300000000 ]  - [  -0.0007119000000000, -0.0001305200000000, -0.0006014700000000 ]  - [  -0.0057833100000000,  0.0066703200000000, -0.0036094000000000 ]  - [  -0.0025109900000000, -0.0044947000000000,  0.0001097800000000 ]  - [  -0.0008253700000000,  0.0004516400000000, -0.0000830400000000 ]  - [  -0.0024389800000000, -0.0022246000000000, -0.0013133000000000 ]  - [  -0.0049040100000000,  0.0013038600000000,  0.0018741400000000 ]  - [  -0.0008621800000000, -0.0003243000000000,  0.0005380200000000 ]  - [   0.0011446400000000,  0.0024851200000000,  0.0011920000000000 ]  - [  -0.0002848100000000,  0.0004020800000000, -0.0004262800000000 ]  - [   0.0000088700000000, -0.0009366500000000, -0.0000008000000000 ]- atom:   35  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007607900000000,  0.0003633300000000, -0.0009747200000000 ]  - [  -0.0228482300000000, -0.0146882300000000,  0.0098807000000000 ]  - [   0.0002266400000000,  0.0002413100000000,  0.0005534600000000 ]  - [   0.0066161200000000, -0.0010571300000000, -0.0036939900000000 ]  - [   0.0020039900000000,  0.0000461400000000,  0.0017190300000000 ]  - [   0.0023133600000000,  0.0000653600000000, -0.0006141700000000 ]  - [   0.0041931500000000,  0.0015973100000000, -0.0021542800000000 ]  - [   0.0010528700000000,  0.0000843200000000,  0.0002365100000000 ]  - [  -0.0278364400000000, -0.0140692500000000, -0.0148448100000000 ]  - [  -0.0002144200000000, -0.0011246300000000, -0.0009956800000000 ]  - [  -0.0029222600000000, -0.0001309100000000,  0.0008656000000000 ]  - [  -0.0034746800000000, -0.0018189800000000, -0.0017107400000000 ]  - [  -0.0002798000000000, -0.0020262800000000,  0.0010324800000000 ]  - [  -0.0028945800000000,  0.0003571800000000, -0.0000715200000000 ]  - [  -0.0041065900000000, -0.0011959400000000, -0.0018584600000000 ]  - [  -0.0009446000000000, -0.0010190600000000,  0.0001290400000000 ]  - [  -0.0503924700000000,  0.0309020700000000, -0.0452767200000000 ]  - [   0.0007180300000000,  0.0001294300000000, -0.0000247300000000 ]  - [   0.0051559900000000,  0.0057306200000000,  0.0063019800000000 ]  - [   0.0020701000000000, -0.0002285800000000, -0.0011464700000000 ]  - [   0.0011104800000000, -0.0006266900000000,  0.0009960900000000 ]  - [  -0.0006475100000000,  0.0011076800000000, -0.0008170000000000 ]  - [   0.0029075200000000, -0.0019743700000000,  0.0017529600000000 ]  - [   0.0037547400000000,  0.0010805000000000, -0.0006435400000000 ]  - [   0.0034402000000000, -0.0017593900000000,  0.0001067600000000 ]  - [   0.0066078800000000, -0.0005399100000000,  0.0031409200000000 ]  - [   0.0010450700000000,  0.0002290600000000,  0.0002467000000000 ]  - [   0.0028419000000000, -0.0106004700000000, -0.0069010800000000 ]  - [  -0.0019647200000000,  0.0015331400000000,  0.0015593000000000 ]  - [  -0.0003820500000000,  0.0012122400000000, -0.0008003900000000 ]  - [  -0.0005667300000000, -0.0005878800000000,  0.0021016800000000 ]  - [   0.0009742800000000,  0.0011671500000000, -0.0009264200000000 ]  - [   0.0008943700000000,  0.0002752700000000, -0.0004642400000000 ]  - [   0.0035760900000000,  0.0011813500000000, -0.0048918900000000 ]  - [   0.1378139500000000,  0.0068214800000000,  0.0567904500000000 ]  - [   0.0008915500000000,  0.0004739900000000, -0.0000477300000000 ]  - [   0.0042211700000000, -0.0026647500000000,  0.0012393100000000 ]  - [  -0.0029544600000000,  0.0012586800000000,  0.0068180800000000 ]  - [   0.0006296100000000,  0.0002986500000000,  0.0002312800000000 ]  - [  -0.0050136600000000,  0.0068401600000000,  0.0017327900000000 ]  - [   0.0006300600000000,  0.0004304500000000, -0.0001226700000000 ]  - [  -0.0021825900000000, -0.0008178900000000,  0.0019135800000000 ]  - [  -0.0002561100000000,  0.0001584400000000, -0.0001683900000000 ]  - [  -0.0257871400000000, -0.0070722400000000, -0.0096407300000000 ]  - [   0.0005069600000000,  0.0002018300000000,  0.0010381400000000 ]  - [   0.0009765200000000, -0.0007290600000000, -0.0017411300000000 ]  - [  -0.0025850000000000, -0.0008521100000000, -0.0009024100000000 ]  - [  -0.0009299300000000, -0.0004904900000000,  0.0000459500000000 ]  - [  -0.0007397300000000,  0.0002506200000000, -0.0004252800000000 ]  - [  -0.0019135600000000,  0.0005510300000000, -0.0014342400000000 ]  - [  -0.0018947300000000,  0.0005945100000000,  0.0004411000000000 ]  - [  -0.0020541600000000, -0.0006374200000000, -0.0010737500000000 ]  - [  -0.0012996300000000, -0.0000466900000000, -0.0006104300000000 ]  - [  -0.0001678600000000, -0.0001219900000000, -0.0002856300000000 ]  - [  -0.0014006400000000, -0.0013460900000000,  0.0013936200000000 ]  - [  -0.0001247500000000,  0.0000399200000000, -0.0002876500000000 ]  - [  -0.0029682900000000,  0.0003523500000000,  0.0007903800000000 ]  - [  -0.0016706300000000,  0.0013439400000000,  0.0001387700000000 ]  - [  -0.0004919200000000, -0.0000690600000000, -0.0002640000000000 ]  - [  -0.0050600200000000, -0.0010502200000000,  0.0002828200000000 ]  - [  -0.0014046800000000, -0.0002331700000000,  0.0002850200000000 ]  - [  -0.0006201700000000,  0.0006418000000000, -0.0001716300000000 ]  - [  -0.0042529200000000, -0.0037101400000000,  0.0026848300000000 ]  - [  -0.0006251000000000,  0.0000811600000000,  0.0002056500000000 ]  - [  -0.0042477900000000,  0.0035514000000000, -0.0024574900000000 ]  - [  -0.0000497800000000, -0.0004527600000000,  0.0003394300000000 ]  - [  -0.0160912100000000,  0.0057629200000000,  0.0025405400000000 ]  - [  -0.0001793600000000, -0.0005477300000000, -0.0003801300000000 ]  - [  -0.0051981100000000,  0.0054622400000000,  0.0009355500000000 ]  - [  -0.0023517000000000, -0.0049072600000000, -0.0038825500000000 ]  - [   0.0007632200000000,  0.0000624000000000,  0.0006481700000000 ]  - [   0.0059147400000000, -0.0065334100000000,  0.0034943900000000 ]  - [   0.0026226700000000,  0.0045031500000000, -0.0001399000000000 ]  - [   0.0008996200000000, -0.0005045200000000,  0.0001381400000000 ]  - [   0.0024748500000000,  0.0022185600000000,  0.0013511000000000 ]  - [   0.0049846800000000, -0.0012439300000000, -0.0018578400000000 ]  - [   0.0008572100000000,  0.0002891400000000, -0.0005732800000000 ]  - [  -0.0011454400000000, -0.0024598900000000, -0.0012475900000000 ]  - [   0.0002897000000000, -0.0004415800000000,  0.0004666100000000 ]  - [  -0.0000823700000000,  0.0008878000000000, -0.0000435800000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0004728400000000,  0.0013224400000000, -0.0020889000000000 ]  - [  -0.0060349400000000, -0.0087723200000000,  0.0176789100000000 ]  - [  -0.0000150200000000,  0.0002033100000000, -0.0012738100000000 ]  - [   0.0003120300000000, -0.0017982700000000,  0.0040047200000000 ]  - [  -0.0013224400000000, -0.0004728400000000, -0.0020889000000000 ]  - [   0.0007063500000000,  0.0000410000000000, -0.0025501300000000 ]  - [  -0.0004510900000000,  0.0005630800000000,  0.0024254100000000 ]  - [  -0.0002033100000000,  0.0000150200000000, -0.0012738100000000 ]  - [   0.0087723200000000,  0.0060349400000000,  0.0176789100000000 ]  - [  -0.0000410000000000, -0.0007063500000000, -0.0025501300000000 ]  - [  -0.0005630800000000,  0.0004510900000000,  0.0024254100000000 ]  - [   0.0017982700000000, -0.0003120300000000,  0.0040047200000000 ]  - [  -0.0045314400000000,  0.0045314400000000, -0.0048433200000000 ]  - [  -0.0008078400000000, -0.0009361100000000, -0.0032388400000000 ]  - [   0.0042522600000000, -0.0042522600000000, -0.0054805400000000 ]  - [   0.0001841700000000,  0.0013121900000000, -0.0013006700000000 ]  - [   0.0513040000000000, -0.0513040000000000,  0.0839957600000000 ]  - [   0.0005596300000000, -0.0005596300000000, -0.0015428000000000 ]  - [  -0.0006499000000000, -0.0020243700000000, -0.0002911200000000 ]  - [   0.0021791300000000,  0.0004233300000000, -0.0026655400000000 ]  - [  -0.0013121900000000, -0.0001841700000000, -0.0013006700000000 ]  - [   0.0009361100000000,  0.0008078400000000, -0.0032388400000000 ]  - [  -0.0013463900000000,  0.0013463900000000,  0.0010340200000000 ]  - [  -0.0024507500000000, -0.0010406000000000,  0.0012218000000000 ]  - [   0.0019146600000000, -0.0019146600000000,  0.0009180100000000 ]  - [  -0.0014565200000000,  0.0008891200000000,  0.0023085600000000 ]  - [  -0.0002984600000000,  0.0002984600000000, -0.0004829200000000 ]  - [   0.0036821500000000, -0.0036821500000000,  0.0123555700000000 ]  - [  -0.0004233300000000, -0.0021791300000000, -0.0026655400000000 ]  - [   0.0020243700000000,  0.0006499000000000, -0.0002911200000000 ]  - [  -0.0008891200000000,  0.0014565200000000,  0.0023085600000000 ]  - [   0.0010406000000000,  0.0024507500000000,  0.0012218000000000 ]  - [  -0.0009177000000000, -0.0009025000000000,  0.0025879300000000 ]  - [   0.0035713600000000, -0.0035713600000000,  0.0173263600000000 ]  - [  -0.0579876300000000,  0.0579876300000000, -0.1265766900000000 ]  - [  -0.0004504400000000, -0.0004415000000000,  0.0012745700000000 ]  - [   0.0029400300000000, -0.0036765400000000,  0.0011679400000000 ]  - [  -0.0068341100000000,  0.0018481300000000,  0.0049209700000000 ]  - [   0.0004040900000000,  0.0004274700000000,  0.0013789500000000 ]  - [   0.0016786000000000, -0.0016786000000000, -0.0104162900000000 ]  - [  -0.0003215500000000, -0.0004304400000000,  0.0001949000000000 ]  - [  -0.0033704000000000, -0.0018900700000000,  0.0027303000000000 ]  - [   0.0005980700000000, -0.0004542000000000,  0.0011348100000000 ]  - [   0.0054934900000000,  0.0030373700000000, -0.0040375400000000 ]  - [  -0.0019845800000000,  0.0019845800000000, -0.0009743000000000 ]  - [  -0.0000507700000000,  0.0002645900000000,  0.0000123900000000 ]  - [  -0.0002219900000000, -0.0000896200000000, -0.0000126300000000 ]  - [  -0.0007949100000000, -0.0005228200000000,  0.0008505600000000 ]  - [   0.0004542000000000, -0.0005980700000000,  0.0011348100000000 ]  - [   0.0002714800000000,  0.0001782000000000, -0.0001194200000000 ]  - [   0.0006210000000000,  0.0001600700000000, -0.0002662700000000 ]  - [  -0.0010592500000000, -0.0001459600000000,  0.0008014500000000 ]  - [   0.0004415000000000,  0.0004504400000000,  0.0012745700000000 ]  - [  -0.0004274700000000, -0.0004040900000000,  0.0013789500000000 ]  - [  -0.0026450500000000, -0.0022470500000000,  0.0014337200000000 ]  - [   0.0009025000000000,  0.0009177000000000,  0.0025879300000000 ]  - [   0.0020297000000000,  0.0000838700000000, -0.0017524400000000 ]  - [   0.0005552100000000, -0.0005552100000000,  0.0004150400000000 ]  - [   0.0002853800000000, -0.0002853800000000,  0.0009409500000000 ]  - [   0.0010707300000000,  0.0004263100000000, -0.0008760200000000 ]  - [   0.0004304400000000,  0.0003215500000000,  0.0001949000000000 ]  - [   0.0001459600000000,  0.0010592500000000,  0.0008014500000000 ]  - [   0.0035070700000000,  0.0029300400000000, -0.0042395100000000 ]  - [   0.0001839600000000, -0.0001839600000000,  0.0018859500000000 ]  - [   0.0036765400000000, -0.0029400300000000,  0.0011679400000000 ]  - [  -0.0002645900000000,  0.0000507700000000,  0.0000123900000000 ]  - [   0.0007155600000000, -0.0010076000000000, -0.0058481200000000 ]  - [   0.0005228200000000,  0.0007949100000000,  0.0008505600000000 ]  - [  -0.0070816700000000,  0.0070816700000000,  0.0003113300000000 ]  - [   0.0018900700000000,  0.0033704000000000,  0.0027303000000000 ]  - [  -0.0001782000000000, -0.0002714800000000, -0.0001194200000000 ]  - [  -0.0030373700000000, -0.0054934900000000, -0.0040375400000000 ]  - [   0.0010076000000000, -0.0007155600000000, -0.0058481200000000 ]  - [   0.0000896200000000,  0.0002219900000000, -0.0000126300000000 ]  - [   0.0022470500000000,  0.0026450500000000,  0.0014337200000000 ]  - [  -0.0018481300000000,  0.0068341100000000,  0.0049209700000000 ]  - [  -0.0004263100000000, -0.0010707300000000, -0.0008760200000000 ]  - [  -0.0029300400000000, -0.0035070700000000, -0.0042395100000000 ]  - [  -0.0001600700000000, -0.0006210000000000, -0.0002662700000000 ]  - [  -0.0000838700000000, -0.0020297000000000, -0.0017524400000000 ]- atom:   35  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0004745800000000, -0.0013230300000000,  0.0020846700000000 ]  - [   0.0064479000000000,  0.0094062000000000, -0.0179439500000000 ]  - [   0.0000156000000000, -0.0002001000000000,  0.0012743900000000 ]  - [  -0.0003113300000000,  0.0017909900000000, -0.0040239900000000 ]  - [   0.0013230300000000,  0.0004745800000000,  0.0020846700000000 ]  - [  -0.0006990100000000, -0.0000407100000000,  0.0025525200000000 ]  - [   0.0004455300000000, -0.0005783800000000, -0.0024150900000000 ]  - [   0.0002001000000000, -0.0000156000000000,  0.0012743900000000 ]  - [  -0.0094062000000000, -0.0064479000000000, -0.0179439500000000 ]  - [   0.0000407100000000,  0.0006990100000000,  0.0025525200000000 ]  - [   0.0005783800000000, -0.0004455300000000, -0.0024150900000000 ]  - [  -0.0017909900000000,  0.0003113300000000, -0.0040239900000000 ]  - [   0.0045121600000000, -0.0045121600000000,  0.0048830600000000 ]  - [   0.0007968900000000,  0.0008786400000000,  0.0032450900000000 ]  - [  -0.0042682400000000,  0.0042682400000000,  0.0054351300000000 ]  - [  -0.0001819000000000, -0.0012417600000000,  0.0012978300000000 ]  - [  -0.0490245500000000,  0.0490245500000000, -0.0819268700000000 ]  - [  -0.0005234700000000,  0.0005234700000000,  0.0015810400000000 ]  - [   0.0007022000000000,  0.0020889600000000,  0.0002774700000000 ]  - [  -0.0022244500000000, -0.0004707900000000,  0.0026247900000000 ]  - [   0.0012417600000000,  0.0001819000000000,  0.0012978300000000 ]  - [  -0.0008786400000000, -0.0007968900000000,  0.0032450900000000 ]  - [   0.0013022600000000, -0.0013022600000000, -0.0009765700000000 ]  - [   0.0024512100000000,  0.0009940100000000, -0.0012187300000000 ]  - [  -0.0019092300000000,  0.0019092300000000, -0.0009637200000000 ]  - [   0.0014444800000000, -0.0008378800000000, -0.0023382100000000 ]  - [   0.0003000700000000, -0.0003000700000000,  0.0005344700000000 ]  - [  -0.0037806500000000,  0.0037806500000000, -0.0120913000000000 ]  - [   0.0004707900000000,  0.0022244500000000,  0.0026247900000000 ]  - [  -0.0020889600000000, -0.0007022000000000,  0.0002774700000000 ]  - [   0.0008378800000000, -0.0014444800000000, -0.0023382100000000 ]  - [  -0.0009940100000000, -0.0024512100000000, -0.0012187300000000 ]  - [   0.0009711800000000,  0.0009808300000000, -0.0026446100000000 ]  - [  -0.0035705500000000,  0.0035705500000000, -0.0175043400000000 ]  - [   0.0561032800000000, -0.0561032800000000,  0.1253631000000000 ]  - [   0.0004890800000000,  0.0004436900000000, -0.0013115700000000 ]  - [  -0.0029408900000000,  0.0037107000000000, -0.0011213000000000 ]  - [   0.0068439100000000, -0.0018838800000000, -0.0049551800000000 ]  - [  -0.0004430300000000, -0.0004365900000000, -0.0014191800000000 ]  - [  -0.0017342100000000,  0.0017342100000000,  0.0103023800000000 ]  - [   0.0002805000000000,  0.0004342900000000, -0.0001562500000000 ]  - [   0.0032897900000000,  0.0019351700000000, -0.0026785000000000 ]  - [  -0.0006440800000000,  0.0003815300000000, -0.0011821100000000 ]  - [  -0.0056183800000000, -0.0031143900000000,  0.0038913600000000 ]  - [   0.0019420200000000, -0.0019420200000000,  0.0010461100000000 ]  - [   0.0000035900000000, -0.0001983800000000,  0.0000312800000000 ]  - [   0.0002789100000000,  0.0000247900000000,  0.0000699300000000 ]  - [   0.0008453400000000,  0.0005740600000000, -0.0009196100000000 ]  - [  -0.0003815300000000,  0.0006440800000000, -0.0011821100000000 ]  - [  -0.0002041000000000, -0.0002227300000000,  0.0001596400000000 ]  - [  -0.0005787900000000, -0.0001689200000000,  0.0003083600000000 ]  - [   0.0010881500000000,  0.0001818600000000, -0.0008142400000000 ]  - [  -0.0004436900000000, -0.0004890800000000, -0.0013115700000000 ]  - [   0.0004365900000000,  0.0004430300000000, -0.0014191800000000 ]  - [   0.0026458500000000,  0.0021953900000000, -0.0013982600000000 ]  - [  -0.0009808300000000, -0.0009711800000000, -0.0026446100000000 ]  - [  -0.0019789500000000, -0.0000095400000000,  0.0016961600000000 ]  - [  -0.0004994100000000,  0.0004994100000000, -0.0003415900000000 ]  - [  -0.0002449500000000,  0.0002449500000000, -0.0009333400000000 ]  - [  -0.0010219800000000, -0.0004104600000000,  0.0008433500000000 ]  - [  -0.0004342900000000, -0.0002805000000000, -0.0001562500000000 ]  - [  -0.0001818600000000, -0.0010881500000000, -0.0008142400000000 ]  - [  -0.0035619200000000, -0.0029511600000000,  0.0042344300000000 ]  - [  -0.0002260400000000,  0.0002260400000000, -0.0018754300000000 ]  - [  -0.0037107000000000,  0.0029408900000000, -0.0011213000000000 ]  - [   0.0001983800000000, -0.0000035900000000,  0.0000312800000000 ]  - [  -0.0006709900000000,  0.0009112800000000,  0.0057990500000000 ]  - [  -0.0005740600000000, -0.0008453400000000, -0.0009196100000000 ]  - [   0.0069795200000000, -0.0069795200000000, -0.0002312100000000 ]  - [  -0.0019351700000000, -0.0032897900000000, -0.0026785000000000 ]  - [   0.0002227300000000,  0.0002041000000000,  0.0001596400000000 ]  - [   0.0031143900000000,  0.0056183800000000,  0.0038913600000000 ]  - [  -0.0009112800000000,  0.0006709900000000,  0.0057990500000000 ]  - [  -0.0000247900000000, -0.0002789100000000,  0.0000699300000000 ]  - [  -0.0021953900000000, -0.0026458500000000, -0.0013982600000000 ]  - [   0.0018838800000000, -0.0068439100000000, -0.0049551800000000 ]  - [   0.0004104600000000,  0.0010219800000000,  0.0008433500000000 ]  - [   0.0029511600000000,  0.0035619200000000,  0.0042344300000000 ]  - [   0.0001689200000000,  0.0005787900000000,  0.0003083600000000 ]  - [   0.0000095400000000,  0.0019789500000000,  0.0016961600000000 ]