# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/73ea982d-80e6-4028-81c2-8190b1ad4c3c/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 PrCuO2 / R-3m (166) / materials id 13694](https://mdr.nims.go.jp/datasets/0f387041-77f5-401b-bf65-5449e44054a4)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3m"  number: 166  Hall_symbol: "-R 3 2\""primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     1.878399116666669,     1.084494239999999,     5.637812766666660 ] # a  - [    -1.878399123333331,     1.084494239999999,     5.637812766666660 ] # b  - [     0.000000006666669,    -2.168988480000001,     5.637812766666660 ] # c  points:  - symbol: O  # 1    coordinates: [  0.105986580000000,  0.105986580000000,  0.105986580000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.894013420000000,  0.894013410000001,  0.894013420000000 ]    mass: 15.999400  - symbol: Cu # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000  - symbol: Pr # 4    coordinates: [  0.500000000000000,  0.500000010000000,  0.500000000000000 ]    mass: 140.907650  reciprocal_lattice: # without 2pi  - [     0.266184111074328,     0.153681468657636,     0.059124583793231 ] # a*  - [    -0.266184111074328,     0.153681467021334,     0.059124583793232 ] # b*  - [    -0.000000000000000,    -0.307362935678970,     0.059124583793231 ] # c*unit_cell:  lattice:  - [     3.756798240000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.878399130000000,     3.253482720000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.913438299999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.227346750000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.560680090000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.894013420000000 ]    mass: 15.999400    reduced_to: 2  - symbol: Cu # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 7  - symbol: Cu # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 7  - symbol: Cu # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 7  - symbol: Pr # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 140.907650    reduced_to: 10  - symbol: Pr # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 140.907650    reduced_to: 10  - symbol: Pr # 12    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 140.907650    reduced_to: 10supercell:  lattice:  - [    11.270394720000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.635197390000000,     9.760448159999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.913438299999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.333333333333333,  0.000000000000000,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.666666666666667,  0.000000000000000,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.333333333333333,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.333333333333333,  0.333333333333333,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.666666666666667,  0.333333333333333,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.000000000000000,  0.666666666666667,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.333333333333333,  0.666666666666667,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.666666666666667,  0.666666666666667,  0.105986580000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.222222223333333,  0.111111110000000,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.555555556666667,  0.111111110000000,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 12    coordinates: [  0.888888890000000,  0.111111110000000,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 13    coordinates: [  0.222222223333333,  0.444444443333333,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 14    coordinates: [  0.555555556666667,  0.444444443333333,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 15    coordinates: [  0.888888890000000,  0.444444443333333,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 16    coordinates: [  0.222222223333333,  0.777777776666667,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 17    coordinates: [  0.555555556666667,  0.777777776666667,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 18    coordinates: [  0.888888890000000,  0.777777776666667,  0.227346750000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 19    coordinates: [  0.222222223333333,  0.111111110000000,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 20    coordinates: [  0.555555556666667,  0.111111110000000,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 21    coordinates: [  0.888888890000000,  0.111111110000000,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 22    coordinates: [  0.222222223333333,  0.444444443333333,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 23    coordinates: [  0.555555556666667,  0.444444443333333,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 24    coordinates: [  0.888888890000000,  0.444444443333333,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 25    coordinates: [  0.222222223333333,  0.777777776666667,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.555555556666667,  0.777777776666667,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.888888890000000,  0.777777776666667,  0.439319910000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.111111110000000,  0.222222223333333,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 29    coordinates: [  0.444444443333333,  0.222222223333333,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 30    coordinates: [  0.777777776666667,  0.222222223333333,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 31    coordinates: [  0.111111110000000,  0.555555556666667,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 32    coordinates: [  0.444444443333333,  0.555555556666667,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 33    coordinates: [  0.777777776666667,  0.555555556666667,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 34    coordinates: [  0.111111110000000,  0.888888890000000,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.444444443333333,  0.888888890000000,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 36    coordinates: [  0.777777776666667,  0.888888890000000,  0.560680090000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 37    coordinates: [  0.111111110000000,  0.222222223333333,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 38    coordinates: [  0.444444443333333,  0.222222223333333,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 39    coordinates: [  0.777777776666667,  0.222222223333333,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 40    coordinates: [  0.111111110000000,  0.555555556666667,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 41    coordinates: [  0.444444443333333,  0.555555556666667,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 42    coordinates: [  0.777777776666667,  0.555555556666667,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 43    coordinates: [  0.111111110000000,  0.888888890000000,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 44    coordinates: [  0.444444443333333,  0.888888890000000,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 45    coordinates: [  0.777777776666667,  0.888888890000000,  0.772653250000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.894013420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: Cu # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 56    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 57    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 58    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 59    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 60    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 61    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 62    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 63    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 64    coordinates: [  0.222222223333333,  0.111111110000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 65    coordinates: [  0.555555556666667,  0.111111110000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 66    coordinates: [  0.888888890000000,  0.111111110000000,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 67    coordinates: [  0.222222223333333,  0.444444443333333,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 68    coordinates: [  0.555555556666667,  0.444444443333333,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 69    coordinates: [  0.888888890000000,  0.444444443333333,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 70    coordinates: [  0.222222223333333,  0.777777776666667,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 71    coordinates: [  0.555555556666667,  0.777777776666667,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 72    coordinates: [  0.888888890000000,  0.777777776666667,  0.333333330000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 73    coordinates: [  0.111111110000000,  0.222222223333333,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 74    coordinates: [  0.444444443333333,  0.222222223333333,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 75    coordinates: [  0.777777776666667,  0.222222223333333,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 76    coordinates: [  0.111111110000000,  0.555555556666667,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 77    coordinates: [  0.444444443333333,  0.555555556666667,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 78    coordinates: [  0.777777776666667,  0.555555556666667,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 79    coordinates: [  0.111111110000000,  0.888888890000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 80    coordinates: [  0.444444443333333,  0.888888890000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Cu # 81    coordinates: [  0.777777776666667,  0.888888890000000,  0.666666670000000 ]    mass: 63.546000    reduced_to: 55  - symbol: Pr # 82    coordinates: [  0.111111110000000,  0.222222223333333,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 83    coordinates: [  0.444444443333333,  0.222222223333333,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 84    coordinates: [  0.777777776666667,  0.222222223333333,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 85    coordinates: [  0.111111110000000,  0.555555556666667,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 86    coordinates: [  0.444444443333333,  0.555555556666667,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 87    coordinates: [  0.777777776666667,  0.555555556666667,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 88    coordinates: [  0.111111110000000,  0.888888890000000,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 89    coordinates: [  0.444444443333333,  0.888888890000000,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 90    coordinates: [  0.777777776666667,  0.888888890000000,  0.166666670000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 92    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 93    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 94    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 95    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 96    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 97    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 98    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 99    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 100    coordinates: [  0.222222223333333,  0.111111110000000,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 101    coordinates: [  0.555555556666667,  0.111111110000000,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 102    coordinates: [  0.888888890000000,  0.111111110000000,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 103    coordinates: [  0.222222223333333,  0.444444443333333,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 104    coordinates: [  0.555555556666667,  0.444444443333333,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 105    coordinates: [  0.888888890000000,  0.444444443333333,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 106    coordinates: [  0.222222223333333,  0.777777776666667,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 107    coordinates: [  0.555555556666667,  0.777777776666667,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82  - symbol: Pr # 108    coordinates: [  0.888888890000000,  0.777777776666667,  0.833333330000000 ]    mass: 140.907650    reduced_to: 82born_effective_charge:- # 1 (O)  - [ -2.145211470000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.145211470000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.396498560000000 ]- # 2 (O)  - [ -2.145211470000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.145211470000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.396498560000000 ]- # 3 (Cu)  - [ -0.307155880000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -0.307155880000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.313448990000000 ]- # 4 (Pr)  - [  4.597578820000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.597578810000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  3.479548120000000 ]dielectric_constant:  - [  5.211001740000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.211001740000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.640109190000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0689029600000000,  0.0007098900000000, -0.0011874200000000 ]  - [   0.0050588300000000,  0.0013076000000000, -0.0010722100000000 ]  - [   0.0049996700000000, -0.0012822000000000,  0.0010598100000000 ]  - [  -0.0002331900000000, -0.0017538600000000, -0.0001115100000000 ]  - [  -0.0002612800000000,  0.0017482200000000,  0.0001137700000000 ]  - [   0.0009858400000000,  0.0000010200000000,  0.0000015300000000 ]  - [  -0.0002494600000000, -0.0043587600000000, -0.0011916600000000 ]  - [   0.0009864600000000, -0.0000065000000000, -0.0000026300000000 ]  - [  -0.0002454400000000,  0.0043219200000000,  0.0011682200000000 ]  - [   0.0020203000000000,  0.0056420100000000,  0.0071837600000000 ]  - [   0.0013662600000000,  0.0000045000000000, -0.0000095100000000 ]  - [   0.0020336600000000, -0.0055677000000000, -0.0071445900000000 ]  - [   0.0011789300000000, -0.0000466500000000, -0.0000334900000000 ]  - [  -0.0002073100000000,  0.0009076000000000, -0.0000241900000000 ]  - [  -0.0002039200000000, -0.0009076700000000, -0.0000009100000000 ]  - [   0.0104182800000000, -0.0053322100000000,  0.0040996200000000 ]  - [   0.0103221900000000,  0.0052806800000000, -0.0040929000000000 ]  - [  -0.0076811400000000, -0.0000135400000000, -0.0000180400000000 ]  - [  -0.0002228100000000, -0.0000820500000000,  0.0009546300000000 ]  - [   0.0002059700000000,  0.0000000600000000,  0.0000147600000000 ]  - [  -0.0002228100000000,  0.0000821300000000, -0.0009239900000000 ]  - [  -0.0000916100000000,  0.0000009500000000,  0.0000129600000000 ]  - [   0.0000384500000000,  0.0000967200000000,  0.0000574300000000 ]  - [   0.0000390200000000, -0.0000963900000000, -0.0000303700000000 ]  - [  -0.0000272200000000, -0.0000370100000000,  0.0008423600000000 ]  - [  -0.0000275200000000,  0.0000374800000000, -0.0008083300000000 ]  - [  -0.0000805900000000,  0.0000002500000000,  0.0000164400000000 ]  - [  -0.0001589800000000,  0.0000003900000000, -0.0000103700000000 ]  - [   0.0000814600000000,  0.0001074400000000,  0.0000904400000000 ]  - [   0.0000814100000000, -0.0001077200000000, -0.0001102500000000 ]  - [   0.0000466700000000, -0.0001216400000000, -0.0000139700000000 ]  - [   0.0000457100000000,  0.0001204000000000, -0.0000039300000000 ]  - [  -0.0001048900000000, -0.0000005800000000, -0.0000085800000000 ]  - [  -0.0001300000000000, -0.0000167700000000,  0.0000973800000000 ]  - [   0.0002557500000000, -0.0000002400000000, -0.0000097700000000 ]  - [  -0.0001304600000000,  0.0000163000000000, -0.0001132500000000 ]  - [  -0.0000800300000000, -0.0000030700000000,  0.0000189600000000 ]  - [  -0.0000318900000000,  0.0000361200000000,  0.0000938600000000 ]  - [  -0.0000230000000000, -0.0000384100000000, -0.0000628800000000 ]  - [   0.0000389200000000, -0.0000971300000000, -0.0000460000000000 ]  - [   0.0000387500000000,  0.0000958900000000,  0.0000736900000000 ]  - [  -0.0000915300000000,  0.0000037300000000,  0.0000150900000000 ]  - [  -0.0002265500000000,  0.0000845200000000,  0.0000435700000000 ]  - [   0.0002062100000000, -0.0000002500000000,  0.0000133100000000 ]  - [  -0.0002188800000000, -0.0000801700000000, -0.0000094200000000 ]  - [  -0.0044277900000000, -0.0000070900000000,  0.0000385700000000 ]  - [  -0.0001788300000000,  0.0000455000000000, -0.0006424100000000 ]  - [  -0.0001691700000000, -0.0000460500000000,  0.0006200600000000 ]  - [  -0.0000184700000000,  0.0000406600000000,  0.0001315900000000 ]  - [  -0.0000206700000000, -0.0000464100000000, -0.0001382400000000 ]  - [  -0.0000268100000000,  0.0000007900000000, -0.0000072600000000 ]  - [  -0.0001013600000000,  0.0000914200000000, -0.0005026600000000 ]  - [   0.0001517600000000, -0.0000011500000000, -0.0000068500000000 ]  - [  -0.0000961300000000, -0.0000866600000000,  0.0004884800000000 ]  - [   0.0077580700000000,  0.0000315000000000,  0.0004142700000000 ]  - [   0.0010020900000000,  0.0001257700000000,  0.0006621300000000 ]  - [   0.0010016400000000, -0.0001228800000000, -0.0006417500000000 ]  - [   0.0001024200000000, -0.0004049200000000, -0.0001412800000000 ]  - [   0.0000980600000000,  0.0003987700000000,  0.0001460300000000 ]  - [   0.0000867000000000,  0.0000002100000000, -0.0000035100000000 ]  - [   0.0000938900000000, -0.0006421800000000,  0.0005170200000000 ]  - [   0.0000967900000000, -0.0000001300000000,  0.0000027800000000 ]  - [   0.0000976500000000,  0.0006427600000000, -0.0005040700000000 ]  - [   0.0004150800000000,  0.0004856700000000, -0.0013345500000000 ]  - [   0.0001285300000000,  0.0000091900000000, -0.0000023800000000 ]  - [   0.0004155400000000, -0.0004641300000000,  0.0013183400000000 ]  - [   0.0000425600000000,  0.0000066300000000,  0.0000016500000000 ]  - [  -0.0000247000000000,  0.0000972800000000, -0.0000210800000000 ]  - [  -0.0000246200000000, -0.0000792800000000,  0.0000237700000000 ]  - [   0.0005668900000000, -0.0002932600000000, -0.0012767900000000 ]  - [   0.0005645200000000,  0.0003110800000000,  0.0012636100000000 ]  - [  -0.0004067700000000,  0.0000103300000000, -0.0000081200000000 ]  - [  -0.0000024600000000, -0.0000092200000000, -0.0000026900000000 ]  - [   0.0000082300000000, -0.0000035200000000, -0.0000328700000000 ]  - [   0.0000092400000000, -0.0000155100000000,  0.0000381300000000 ]  - [   0.0000243300000000, -0.0000273700000000,  0.0000154000000000 ]  - [   0.0000236900000000,  0.0000082000000000, -0.0000183500000000 ]  - [  -0.0000018600000000, -0.0000095000000000,  0.0000002300000000 ]  - [  -0.0000194800000000,  0.0000011600000000, -0.0000311600000000 ]  - [   0.0000549500000000, -0.0000091500000000,  0.0000014200000000 ]  - [  -0.0000193100000000, -0.0000185000000000,  0.0000311800000000 ]  - [   0.0100434800000000, -0.0000055500000000,  0.0000043300000000 ]  - [  -0.0031606600000000, -0.0033111700000000, -0.0002616300000000 ]  - [  -0.0031618800000000,  0.0032736700000000,  0.0002627900000000 ]  - [  -0.0011134600000000,  0.0034867800000000,  0.0004885400000000 ]  - [  -0.0010957000000000, -0.0034461900000000, -0.0004783400000000 ]  - [   0.0025410200000000,  0.0000067600000000,  0.0000070500000000 ]  - [   0.0180357400000000, -0.0046882000000000,  0.0097236000000000 ]  - [  -0.0071089800000000,  0.0000021800000000,  0.0000028000000000 ]  - [   0.0171033500000000,  0.0040059900000000, -0.0089865700000000 ]  - [   0.0008513000000000, -0.0000011200000000, -0.0000063100000000 ]  - [  -0.0004357900000000, -0.0001358500000000, -0.0004644100000000 ]  - [  -0.0004371100000000,  0.0001339000000000,  0.0004537200000000 ]  - [   0.0000770800000000,  0.0004635100000000,  0.0002728600000000 ]  - [   0.0000796400000000, -0.0004654900000000, -0.0002805400000000 ]  - [  -0.0001456000000000, -0.0000006400000000, -0.0000038400000000 ]  - [   0.0003397200000000,  0.0002824900000000, -0.0001881300000000 ]  - [  -0.0006777700000000,  0.0000029900000000, -0.0000044200000000 ]  - [   0.0003401400000000, -0.0002796700000000,  0.0001767600000000 ]  - [   0.0004913800000000,  0.0000368600000000, -0.0002552600000000 ]  - [  -0.0006912000000000, -0.0000016600000000,  0.0000016200000000 ]  - [   0.0004478800000000, -0.0000168000000000,  0.0002281400000000 ]  - [   0.0000742300000000,  0.0000057300000000, -0.0000022100000000 ]  - [  -0.0000403500000000, -0.0003748100000000, -0.0001416400000000 ]  - [  -0.0000440300000000,  0.0003746500000000,  0.0001371500000000 ]  - [  -0.0002627000000000,  0.0001975300000000,  0.0004005800000000 ]  - [  -0.0002725600000000, -0.0001971100000000, -0.0004011700000000 ]  - [   0.0004233600000000, -0.0000240900000000, -0.0000155000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.2047483400000000 ]  - [   0.0010662500000000,  0.0007447200000000, -0.0036767000000000 ]  - [  -0.0010662500000000,  0.0007447200000000, -0.0036767000000000 ]  - [  -0.0011780700000000,  0.0005510300000000, -0.0036767000000000 ]  - [   0.0011780700000000,  0.0005510300000000, -0.0036767000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019821400000000 ]  - [  -0.0001118300000000, -0.0012957600000000, -0.0036767000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0019830600000000 ]  - [   0.0001118300000000, -0.0012957600000000, -0.0036767000000000 ]  - [   0.0072091100000000,  0.0041621800000000,  0.0046260900000000 ]  - [   0.0000000000000000, -0.0000157100000000, -0.0006861500000000 ]  - [  -0.0072091100000000,  0.0041621800000000,  0.0046260900000000 ]  - [   0.0000000000000000,  0.0047142400000000,  0.0023785000000000 ]  - [  -0.0000136100000000,  0.0000078600000000, -0.0006861500000000 ]  - [   0.0000136100000000,  0.0000078600000000, -0.0006861500000000 ]  - [   0.0040826500000000, -0.0023571200000000,  0.0023785000000000 ]  - [  -0.0040826500000000, -0.0023571200000000,  0.0023785000000000 ]  - [   0.0000000000000000, -0.0083243600000000,  0.0046260900000000 ]  - [  -0.0000260500000000, -0.0000150400000000,  0.0017178000000000 ]  - [   0.0000000000000000,  0.0000698300000000,  0.0008062700000000 ]  - [   0.0000260500000000, -0.0000150400000000,  0.0017178000000000 ]  - [   0.0000000000000000, -0.0000890000000000,  0.0011815000000000 ]  - [   0.0000604700000000, -0.0000349100000000,  0.0008062700000000 ]  - [  -0.0000604700000000, -0.0000349100000000,  0.0008062700000000 ]  - [  -0.0000770800000000,  0.0000445000000000,  0.0011815000000000 ]  - [   0.0000770800000000,  0.0000445000000000,  0.0011815000000000 ]  - [   0.0000000000000000,  0.0000300800000000,  0.0017178000000000 ]  - [   0.0000000000000000,  0.0001217400000000,  0.0013351300000000 ]  - [   0.0000997000000000,  0.0000575600000000,  0.0011419700000000 ]  - [  -0.0000997000000000,  0.0000575600000000,  0.0011419700000000 ]  - [  -0.0000032100000000, -0.0000018500000000,  0.0010730700000000 ]  - [   0.0000032100000000, -0.0000018500000000,  0.0010730700000000 ]  - [   0.0000000000000000, -0.0001151200000000,  0.0011419700000000 ]  - [   0.0001054300000000, -0.0000608700000000,  0.0013351300000000 ]  - [   0.0000000000000000,  0.0000037100000000,  0.0010730700000000 ]  - [  -0.0001054300000000, -0.0000608700000000,  0.0013351300000000 ]  - [   0.0000000000000000, -0.0010845500000000,  0.0017157200000000 ]  - [  -0.0008223600000000, -0.0004747900000000,  0.0011726700000000 ]  - [   0.0008223600000000, -0.0004747900000000,  0.0011726700000000 ]  - [  -0.0000425600000000, -0.0000245700000000,  0.0008097000000000 ]  - [   0.0000425600000000, -0.0000245700000000,  0.0008097000000000 ]  - [   0.0000000000000000,  0.0009495700000000,  0.0011726700000000 ]  - [  -0.0009392500000000,  0.0005422800000000,  0.0017157200000000 ]  - [   0.0000000000000000,  0.0000491500000000,  0.0008097000000000 ]  - [   0.0009392500000000,  0.0005422800000000,  0.0017157200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0166613800000000 ]  - [  -0.0006309400000000,  0.0002067400000000,  0.0000234100000000 ]  - [   0.0006309400000000,  0.0002067400000000,  0.0000234100000000 ]  - [   0.0001364300000000, -0.0006497800000000,  0.0000234100000000 ]  - [  -0.0001364300000000, -0.0006497800000000,  0.0000234100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002556500000000 ]  - [  -0.0004945100000000,  0.0004430400000000,  0.0000234100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002903900000000 ]  - [   0.0004945100000000,  0.0004430400000000,  0.0000234100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1427737400000000 ]  - [  -0.0007054000000000,  0.0001019800000000,  0.0011103600000000 ]  - [   0.0007054000000000,  0.0001019800000000,  0.0011103600000000 ]  - [   0.0002643800000000, -0.0006618900000000,  0.0011103600000000 ]  - [  -0.0002643800000000, -0.0006618900000000,  0.0011103600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006250500000000 ]  - [  -0.0004410200000000,  0.0005599100000000,  0.0011103600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006926600000000 ]  - [   0.0004410200000000,  0.0005599100000000,  0.0011103600000000 ]  - [   0.0004561600000000,  0.0002633600000000, -0.0015150300000000 ]  - [   0.0000000000000000,  0.0000026300000000, -0.0001106800000000 ]  - [  -0.0004561600000000,  0.0002633600000000, -0.0015150300000000 ]  - [   0.0000000000000000,  0.0004995700000000, -0.0007227100000000 ]  - [   0.0000022800000000, -0.0000013200000000, -0.0001106800000000 ]  - [  -0.0000022800000000, -0.0000013200000000, -0.0001106800000000 ]  - [   0.0004326400000000, -0.0002497900000000, -0.0007227100000000 ]  - [  -0.0004326400000000, -0.0002497900000000, -0.0007227100000000 ]  - [   0.0000000000000000, -0.0005267200000000, -0.0015150300000000 ]  - [   0.0000000000000000, -0.0000910500000000, -0.0008101400000000 ]  - [  -0.0000642500000000, -0.0000371000000000, -0.0006278400000000 ]  - [   0.0000642500000000, -0.0000371000000000, -0.0006278400000000 ]  - [  -0.0000071000000000, -0.0000041000000000, -0.0005286500000000 ]  - [   0.0000071000000000, -0.0000041000000000, -0.0005286500000000 ]  - [   0.0000000000000000,  0.0000741900000000, -0.0006278400000000 ]  - [  -0.0000788500000000,  0.0000455300000000, -0.0008101400000000 ]  - [   0.0000000000000000,  0.0000082000000000, -0.0005286500000000 ]  - [   0.0000788500000000,  0.0000455300000000, -0.0008101400000000 ]  - [   0.0000000000000000,  0.0056238100000000,  0.0123951000000000 ]  - [  -0.0017829600000000, -0.0010293900000000,  0.0030345000000000 ]  - [   0.0017829600000000, -0.0010293900000000,  0.0030345000000000 ]  - [   0.0008426300000000,  0.0004864900000000,  0.0028755500000000 ]  - [  -0.0008426300000000,  0.0004864900000000,  0.0028755500000000 ]  - [   0.0000000000000000,  0.0020587900000000,  0.0030345000000000 ]  - [   0.0048703700000000, -0.0028119100000000,  0.0123951000000000 ]  - [   0.0000000000000000, -0.0009729800000000,  0.0028755500000000 ]  - [  -0.0048703700000000, -0.0028119100000000,  0.0123951000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022111700000000 ]  - [  -0.0003089200000000,  0.0000100700000000, -0.0017308100000000 ]  - [   0.0003089200000000,  0.0000100700000000, -0.0017308100000000 ]  - [   0.0001457300000000, -0.0002725700000000, -0.0017308100000000 ]  - [  -0.0001457300000000, -0.0002725700000000, -0.0017308100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014090200000000 ]  - [  -0.0001631800000000,  0.0002624900000000, -0.0017308100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016390500000000 ]  - [   0.0001631800000000,  0.0002624900000000, -0.0017308100000000 ]  - [   0.0046453500000000,  0.0026819900000000, -0.0033665500000000 ]  - [   0.0000000000000000,  0.0002842100000000, -0.0007603300000000 ]  - [  -0.0046453500000000,  0.0026819900000000, -0.0033665500000000 ]  - [   0.0000000000000000,  0.0010503600000000, -0.0006660300000000 ]  - [   0.0002461300000000, -0.0001421000000000, -0.0007603300000000 ]  - [  -0.0002461300000000, -0.0001421000000000, -0.0007603300000000 ]  - [   0.0009096400000000, -0.0005251800000000, -0.0006660300000000 ]  - [  -0.0009096400000000, -0.0005251800000000, -0.0006660300000000 ]  - [   0.0000000000000000, -0.0053639900000000, -0.0033665500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.2140924800000000 ]  - [  -0.0010655500000000, -0.0007477900000000,  0.0037083600000000 ]  - [   0.0010655500000000, -0.0007477900000000,  0.0037083600000000 ]  - [   0.0011803800000000, -0.0005489000000000,  0.0037083600000000 ]  - [  -0.0011803800000000, -0.0005489000000000,  0.0037083600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019979600000000 ]  - [   0.0001148300000000,  0.0012966900000000,  0.0037083600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019991700000000 ]  - [  -0.0001148300000000,  0.0012966900000000,  0.0037083600000000 ]  - [  -0.0071168800000000, -0.0041089300000000, -0.0046208100000000 ]  - [   0.0000000000000000,  0.0000100900000000,  0.0006509500000000 ]  - [   0.0071168800000000, -0.0041089300000000, -0.0046208100000000 ]  - [   0.0000000000000000, -0.0047516200000000, -0.0024163300000000 ]  - [   0.0000087400000000, -0.0000050400000000,  0.0006509500000000 ]  - [  -0.0000087400000000, -0.0000050400000000,  0.0006509500000000 ]  - [  -0.0041150200000000,  0.0023758100000000, -0.0024163300000000 ]  - [   0.0041150200000000,  0.0023758100000000, -0.0024163300000000 ]  - [   0.0000000000000000,  0.0082178600000000, -0.0046208100000000 ]  - [   0.0000257700000000,  0.0000148800000000, -0.0016786400000000 ]  - [   0.0000000000000000, -0.0000711800000000, -0.0007737000000000 ]  - [  -0.0000257700000000,  0.0000148800000000, -0.0016786400000000 ]  - [   0.0000000000000000,  0.0000910400000000, -0.0011456900000000 ]  - [  -0.0000616500000000,  0.0000355900000000, -0.0007737000000000 ]  - [   0.0000616500000000,  0.0000355900000000, -0.0007737000000000 ]  - [   0.0000788400000000, -0.0000455200000000, -0.0011456900000000 ]  - [  -0.0000788400000000, -0.0000455200000000, -0.0011456900000000 ]  - [   0.0000000000000000, -0.0000297600000000, -0.0016786400000000 ]  - [   0.0000000000000000, -0.0001220800000000, -0.0013818700000000 ]  - [  -0.0001015800000000, -0.0000586500000000, -0.0011713800000000 ]  - [   0.0001015800000000, -0.0000586500000000, -0.0011713800000000 ]  - [   0.0000049000000000,  0.0000028300000000, -0.0011122900000000 ]  - [  -0.0000049000000000,  0.0000028300000000, -0.0011122900000000 ]  - [   0.0000000000000000,  0.0001173000000000, -0.0011713800000000 ]  - [  -0.0001057200000000,  0.0000610400000000, -0.0013818700000000 ]  - [   0.0000000000000000, -0.0000056600000000, -0.0011122900000000 ]  - [   0.0001057200000000,  0.0000610400000000, -0.0013818700000000 ]  - [   0.0000000000000000,  0.0010887500000000, -0.0016776400000000 ]  - [   0.0008226500000000,  0.0004749600000000, -0.0011460200000000 ]  - [  -0.0008226500000000,  0.0004749600000000, -0.0011460200000000 ]  - [   0.0000448100000000,  0.0000258700000000, -0.0007729300000000 ]  - [  -0.0000448100000000,  0.0000258700000000, -0.0007729300000000 ]  - [   0.0000000000000000, -0.0009499200000000, -0.0011460200000000 ]  - [   0.0009428800000000, -0.0005443700000000, -0.0016776400000000 ]  - [   0.0000000000000000, -0.0000517400000000, -0.0007729300000000 ]  - [  -0.0009428800000000, -0.0005443700000000, -0.0016776400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0170416900000000 ]  - [   0.0006308000000000, -0.0002093000000000, -0.0000503300000000 ]  - [  -0.0006308000000000, -0.0002093000000000, -0.0000503300000000 ]  - [  -0.0001341400000000,  0.0006509400000000, -0.0000503300000000 ]  - [   0.0001341400000000,  0.0006509400000000, -0.0000503300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002354700000000 ]  - [   0.0004966600000000, -0.0004416400000000, -0.0000503300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002808400000000 ]  - [  -0.0004966600000000, -0.0004416400000000, -0.0000503300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1519934400000000 ]  - [   0.0007004300000000, -0.0001047900000000, -0.0011080400000000 ]  - [  -0.0007004300000000, -0.0001047900000000, -0.0011080400000000 ]  - [  -0.0002594700000000,  0.0006589800000000, -0.0011080400000000 ]  - [   0.0002594700000000,  0.0006589800000000, -0.0011080400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006213900000000 ]  - [   0.0004409600000000, -0.0005542000000000, -0.0011080400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006888500000000 ]  - [  -0.0004409600000000, -0.0005542000000000, -0.0011080400000000 ]  - [  -0.0004543800000000, -0.0002623400000000,  0.0015048500000000 ]  - [   0.0000000000000000, -0.0000045000000000,  0.0001060200000000 ]  - [   0.0004543800000000, -0.0002623400000000,  0.0015048500000000 ]  - [   0.0000000000000000, -0.0004988700000000,  0.0007201400000000 ]  - [  -0.0000039000000000,  0.0000022500000000,  0.0001060200000000 ]  - [   0.0000039000000000,  0.0000022500000000,  0.0001060200000000 ]  - [  -0.0004320300000000,  0.0002494400000000,  0.0007201400000000 ]  - [   0.0004320300000000,  0.0002494400000000,  0.0007201400000000 ]  - [   0.0000000000000000,  0.0005246700000000,  0.0015048500000000 ]  - [   0.0000000000000000,  0.0000918600000000,  0.0008170000000000 ]  - [   0.0000642200000000,  0.0000370800000000,  0.0006272300000000 ]  - [  -0.0000642200000000,  0.0000370800000000,  0.0006272300000000 ]  - [   0.0000072300000000,  0.0000041700000000,  0.0005317800000000 ]  - [  -0.0000072300000000,  0.0000041700000000,  0.0005317800000000 ]  - [   0.0000000000000000, -0.0000741600000000,  0.0006272300000000 ]  - [   0.0000795600000000, -0.0000459300000000,  0.0008170000000000 ]  - [   0.0000000000000000, -0.0000083500000000,  0.0005317800000000 ]  - [  -0.0000795600000000, -0.0000459300000000,  0.0008170000000000 ]  - [   0.0000000000000000, -0.0052525700000000, -0.0123513200000000 ]  - [   0.0017757100000000,  0.0010252100000000, -0.0030160800000000 ]  - [  -0.0017757100000000,  0.0010252100000000, -0.0030160800000000 ]  - [  -0.0008580100000000, -0.0004953700000000, -0.0028800500000000 ]  - [   0.0008580100000000, -0.0004953700000000, -0.0028800500000000 ]  - [   0.0000000000000000, -0.0020504200000000, -0.0030160800000000 ]  - [  -0.0045488600000000,  0.0026262900000000, -0.0123513200000000 ]  - [   0.0000000000000000,  0.0009907400000000, -0.0028800500000000 ]  - [   0.0045488600000000,  0.0026262900000000, -0.0123513200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022077700000000 ]  - [   0.0003083800000000, -0.0000043600000000,  0.0017319000000000 ]  - [  -0.0003083800000000, -0.0000043600000000,  0.0017319000000000 ]  - [  -0.0001504100000000,  0.0002692400000000,  0.0017319000000000 ]  - [   0.0001504100000000,  0.0002692400000000,  0.0017319000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0014088000000000 ]  - [   0.0001579700000000, -0.0002648800000000,  0.0017319000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016455300000000 ]  - [  -0.0001579700000000, -0.0002648800000000,  0.0017319000000000 ]  - [  -0.0046632900000000, -0.0026923500000000,  0.0033714800000000 ]  - [   0.0000000000000000, -0.0002856800000000,  0.0007496000000000 ]  - [   0.0046632900000000, -0.0026923500000000,  0.0033714800000000 ]  - [   0.0000000000000000, -0.0010544200000000,  0.0006610500000000 ]  - [  -0.0002474100000000,  0.0001428400000000,  0.0007496000000000 ]  - [   0.0002474100000000,  0.0001428400000000,  0.0007496000000000 ]  - [  -0.0009131500000000,  0.0005272100000000,  0.0006610500000000 ]  - [   0.0009131500000000,  0.0005272100000000,  0.0006610500000000 ]  - [   0.0000000000000000,  0.0053847000000000,  0.0033714800000000 ]- atom:   55  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0077548700000000, -0.0000142600000000, -0.0003192200000000 ]  - [   0.0010093900000000,  0.0001220100000000,  0.0007147400000000 ]  - [   0.0009868900000000, -0.0001171000000000, -0.0006901100000000 ]  - [   0.0000919700000000, -0.0003968500000000, -0.0004382900000000 ]  - [   0.0000937400000000,  0.0004009800000000,  0.0004504500000000 ]  - [   0.0000921500000000, -0.0000001700000000,  0.0000005600000000 ]  - [   0.0000962100000000, -0.0006480200000000,  0.0002715200000000 ]  - [   0.0000837500000000, -0.0000002200000000, -0.0000002900000000 ]  - [   0.0000969300000000,  0.0006411600000000, -0.0002588600000000 ]  - [   0.0004348900000000,  0.0004809600000000,  0.0004411700000000 ]  - [   0.0001416800000000,  0.0000001600000000, -0.0000143400000000 ]  - [   0.0004210400000000, -0.0004685500000000, -0.0004712900000000 ]  - [   0.0000551500000000,  0.0000011800000000, -0.0000123300000000 ]  - [  -0.0000125900000000,  0.0000887500000000, -0.0000109200000000 ]  - [  -0.0000113000000000, -0.0000888400000000, -0.0000170600000000 ]  - [   0.0005782000000000, -0.0003039700000000,  0.0004163200000000 ]  - [   0.0005788400000000,  0.0003002300000000, -0.0004453000000000 ]  - [  -0.0003944900000000, -0.0000147500000000, -0.0000089000000000 ]  - [  -0.0000387100000000, -0.0000101200000000,  0.0000926200000000 ]  - [   0.0000357800000000, -0.0000003800000000,  0.0000119900000000 ]  - [  -0.0000387400000000,  0.0000096200000000, -0.0000660700000000 ]  - [  -0.0000218700000000,  0.0000005000000000,  0.0000114800000000 ]  - [   0.0000044800000000,  0.0000183900000000,  0.0000183100000000 ]  - [   0.0000055100000000, -0.0000173100000000,  0.0000047200000000 ]  - [  -0.0000106600000000, -0.0000060800000000,  0.0000768200000000 ]  - [  -0.0000104600000000,  0.0000068800000000, -0.0000536400000000 ]  - [  -0.0000217800000000,  0.0000011700000000,  0.0000147500000000 ]  - [  -0.0000217800000000, -0.0000011700000000, -0.0000147500000000 ]  - [  -0.0000106600000000,  0.0000060800000000, -0.0000768200000000 ]  - [  -0.0000104600000000, -0.0000068800000000,  0.0000536400000000 ]  - [   0.0000044800000000, -0.0000183900000000, -0.0000183100000000 ]  - [   0.0000055100000000,  0.0000173100000000, -0.0000047200000000 ]  - [  -0.0000218700000000, -0.0000005000000000, -0.0000114800000000 ]  - [  -0.0000387100000000,  0.0000101200000000, -0.0000926200000000 ]  - [   0.0000357800000000,  0.0000003800000000, -0.0000119900000000 ]  - [  -0.0000387400000000, -0.0000096200000000,  0.0000660700000000 ]  - [  -0.0003944900000000,  0.0000147500000000,  0.0000089000000000 ]  - [   0.0005782000000000,  0.0003039700000000, -0.0004163200000000 ]  - [   0.0005788400000000, -0.0003002300000000,  0.0004453000000000 ]  - [  -0.0000125900000000, -0.0000887500000000,  0.0000109200000000 ]  - [  -0.0000113000000000,  0.0000888400000000,  0.0000170600000000 ]  - [   0.0000551500000000, -0.0000011800000000,  0.0000123300000000 ]  - [   0.0004348900000000, -0.0004809600000000, -0.0004411700000000 ]  - [   0.0001416800000000, -0.0000001600000000,  0.0000143400000000 ]  - [   0.0004210400000000,  0.0004685500000000,  0.0004712900000000 ]  - [   0.0077548700000000,  0.0000142600000000,  0.0003192200000000 ]  - [   0.0010093900000000, -0.0001220100000000, -0.0007147400000000 ]  - [   0.0009868900000000,  0.0001171000000000,  0.0006901100000000 ]  - [   0.0000969300000000, -0.0006411600000000,  0.0002588600000000 ]  - [   0.0000962100000000,  0.0006480200000000, -0.0002715200000000 ]  - [   0.0000837500000000,  0.0000002200000000,  0.0000002900000000 ]  - [   0.0000937400000000, -0.0004009800000000, -0.0004504500000000 ]  - [   0.0000921500000000,  0.0000001700000000, -0.0000005600000000 ]  - [   0.0000919700000000,  0.0003968500000000,  0.0004382900000000 ]  - [  -0.0196213500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0025963400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0025522900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004995800000000,  0.0012111900000000,  0.0001550800000000 ]  - [  -0.0004978400000000, -0.0012223300000000, -0.0001561500000000 ]  - [   0.0000106800000000, -0.0000009000000000,  0.0000000700000000 ]  - [  -0.0004978400000000,  0.0012223300000000,  0.0001561500000000 ]  - [   0.0000106800000000,  0.0000009000000000, -0.0000000700000000 ]  - [  -0.0004995800000000, -0.0012111900000000, -0.0001550800000000 ]  - [   0.0000428300000000,  0.0000692100000000, -0.0001250100000000 ]  - [   0.0000103100000000,  0.0000078100000000,  0.0000006900000000 ]  - [   0.0000434500000000, -0.0000499000000000,  0.0001215600000000 ]  - [   0.0000080000000000,  0.0000109500000000, -0.0000026600000000 ]  - [  -0.0000038300000000,  0.0000173900000000, -0.0000059400000000 ]  - [  -0.0000026100000000,  0.0000016800000000,  0.0000022000000000 ]  - [   0.0000859800000000, -0.0000375700000000, -0.0000928700000000 ]  - [   0.0000820100000000,  0.0000532600000000,  0.0000921800000000 ]  - [  -0.0000600200000000,  0.0000080200000000, -0.0000024200000000 ]  - [  -0.0000600200000000, -0.0000080200000000,  0.0000024200000000 ]  - [   0.0000859800000000,  0.0000375700000000,  0.0000928700000000 ]  - [   0.0000820100000000, -0.0000532600000000, -0.0000921800000000 ]  - [  -0.0000038300000000, -0.0000173900000000,  0.0000059400000000 ]  - [  -0.0000026100000000, -0.0000016800000000, -0.0000022000000000 ]  - [   0.0000080000000000, -0.0000109500000000,  0.0000026600000000 ]  - [   0.0000428300000000, -0.0000692100000000,  0.0001250100000000 ]  - [   0.0000103100000000, -0.0000078100000000, -0.0000006900000000 ]  - [   0.0000434500000000,  0.0000499000000000, -0.0001215600000000 ]  - [   0.0006701400000000, -0.0000190600000000,  0.0000043600000000 ]  - [  -0.0002577500000000, -0.0002727700000000, -0.0000044700000000 ]  - [  -0.0002485000000000,  0.0002660900000000,  0.0000146100000000 ]  - [  -0.0001102400000000,  0.0002846700000000,  0.0000583000000000 ]  - [  -0.0001088700000000, -0.0002834300000000, -0.0000483700000000 ]  - [   0.0002137700000000,  0.0000076900000000,  0.0000066100000000 ]  - [   0.0007851100000000, -0.0000687200000000,  0.0000155800000000 ]  - [  -0.0006014000000000,  0.0000004300000000,  0.0000053600000000 ]  - [   0.0008348800000000,  0.0000931200000000,  0.0000001500000000 ]  - [   0.0001578500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000801300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000776200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000316500000000,  0.0000641700000000,  0.0000146800000000 ]  - [   0.0000344800000000, -0.0000652300000000, -0.0000143100000000 ]  - [  -0.0000785700000000, -0.0000006400000000,  0.0000005500000000 ]  - [   0.0000344800000000,  0.0000652300000000,  0.0000143100000000 ]  - [  -0.0000785700000000,  0.0000006400000000, -0.0000005500000000 ]  - [   0.0000316500000000, -0.0000641700000000, -0.0000146800000000 ]  - [   0.0007851100000000,  0.0000687200000000, -0.0000155800000000 ]  - [  -0.0006014000000000, -0.0000004300000000, -0.0000053600000000 ]  - [   0.0008348800000000, -0.0000931200000000, -0.0000001500000000 ]  - [   0.0002137700000000, -0.0000076900000000, -0.0000066100000000 ]  - [  -0.0001102400000000, -0.0002846700000000, -0.0000583000000000 ]  - [  -0.0001088700000000,  0.0002834300000000,  0.0000483700000000 ]  - [  -0.0002577500000000,  0.0002727700000000,  0.0000044700000000 ]  - [  -0.0002485000000000, -0.0002660900000000, -0.0000146100000000 ]  - [   0.0006701400000000,  0.0000190600000000, -0.0000043600000000 ]- atom:   55  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.1520026800000000 ]  - [  -0.0006514800000000, -0.0002106100000000,  0.0011008100000000 ]  - [   0.0006514800000000, -0.0002106100000000,  0.0011008100000000 ]  - [   0.0005081300000000, -0.0004589000000000,  0.0011008100000000 ]  - [  -0.0005081300000000, -0.0004589000000000,  0.0011008100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006818700000000 ]  - [  -0.0001433500000000,  0.0006695000000000,  0.0011008100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006167300000000 ]  - [   0.0001433500000000,  0.0006695000000000,  0.0011008100000000 ]  - [  -0.0013240400000000, -0.0007644300000000, -0.0015404100000000 ]  - [   0.0000000000000000, -0.0000281600000000, -0.0001370700000000 ]  - [   0.0013240400000000, -0.0007644300000000, -0.0015404100000000 ]  - [   0.0000000000000000, -0.0014651500000000, -0.0007519000000000 ]  - [  -0.0000243900000000,  0.0000140800000000, -0.0001370700000000 ]  - [   0.0000243900000000,  0.0000140800000000, -0.0001370700000000 ]  - [  -0.0012688600000000,  0.0007325800000000, -0.0007519000000000 ]  - [   0.0012688600000000,  0.0007325800000000, -0.0007519000000000 ]  - [   0.0000000000000000,  0.0015288700000000, -0.0015404100000000 ]  - [   0.0000279700000000,  0.0000161500000000, -0.0008165000000000 ]  - [   0.0000000000000000, -0.0000197900000000, -0.0005335700000000 ]  - [  -0.0000279700000000,  0.0000161500000000, -0.0008165000000000 ]  - [   0.0000000000000000,  0.0000407800000000, -0.0006333200000000 ]  - [  -0.0000171400000000,  0.0000098900000000, -0.0005335700000000 ]  - [   0.0000171400000000,  0.0000098900000000, -0.0005335700000000 ]  - [   0.0000353100000000, -0.0000203900000000, -0.0006333200000000 ]  - [  -0.0000353100000000, -0.0000203900000000, -0.0006333200000000 ]  - [   0.0000000000000000, -0.0000322900000000, -0.0008165000000000 ]  - [   0.0000000000000000, -0.0000320100000000, -0.0008408400000000 ]  - [  -0.0000353600000000, -0.0000204200000000, -0.0006549600000000 ]  - [   0.0000353600000000, -0.0000204200000000, -0.0006549600000000 ]  - [   0.0000170300000000,  0.0000098300000000, -0.0005589200000000 ]  - [  -0.0000170300000000,  0.0000098300000000, -0.0005589200000000 ]  - [   0.0000000000000000,  0.0000408300000000, -0.0006549600000000 ]  - [  -0.0000277200000000,  0.0000160100000000, -0.0008408400000000 ]  - [   0.0000000000000000, -0.0000196600000000, -0.0005589200000000 ]  - [   0.0000277200000000,  0.0000160100000000, -0.0008408400000000 ]  - [   0.0000000000000000,  0.0015370100000000, -0.0015146300000000 ]  - [   0.0012651000000000,  0.0007304100000000, -0.0007261100000000 ]  - [  -0.0012651000000000,  0.0007304100000000, -0.0007261100000000 ]  - [   0.0000242600000000,  0.0000140000000000, -0.0001105600000000 ]  - [  -0.0000242600000000,  0.0000140000000000, -0.0001105600000000 ]  - [   0.0000000000000000, -0.0014608100000000, -0.0007261100000000 ]  - [   0.0013310900000000, -0.0007685000000000, -0.0015146300000000 ]  - [   0.0000000000000000, -0.0000280100000000, -0.0001105600000000 ]  - [  -0.0013310900000000, -0.0007685000000000, -0.0015146300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1427300400000000 ]  - [   0.0006520000000000, -0.0002102500000000,  0.0010868800000000 ]  - [  -0.0006520000000000, -0.0002102500000000,  0.0010868800000000 ]  - [  -0.0001439200000000,  0.0006697700000000,  0.0010868800000000 ]  - [   0.0001439200000000,  0.0006697700000000,  0.0010868800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006025000000000 ]  - [   0.0005080800000000, -0.0004595200000000,  0.0010868800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006663600000000 ]  - [  -0.0005080800000000, -0.0004595200000000,  0.0010868800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3189346400000000 ]  - [   0.0000069700000000, -0.0001790200000000, -0.0005009000000000 ]  - [  -0.0000069700000000, -0.0001790200000000, -0.0005009000000000 ]  - [   0.0001515500000000,  0.0000955500000000, -0.0005009000000000 ]  - [  -0.0001515500000000,  0.0000955500000000, -0.0005009000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004096900000000 ]  - [   0.0001585200000000,  0.0000834800000000, -0.0005009000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004096100000000 ]  - [  -0.0001585200000000,  0.0000834800000000, -0.0005009000000000 ]  - [  -0.0001229300000000, -0.0000709700000000,  0.0005951600000000 ]  - [   0.0000000000000000, -0.0000051400000000,  0.0001784500000000 ]  - [   0.0001229300000000, -0.0000709700000000,  0.0005951600000000 ]  - [   0.0000000000000000, -0.0001055800000000,  0.0003286500000000 ]  - [  -0.0000044500000000,  0.0000025700000000,  0.0001784500000000 ]  - [   0.0000044500000000,  0.0000025700000000,  0.0001784500000000 ]  - [  -0.0000914400000000,  0.0000527900000000,  0.0003286500000000 ]  - [   0.0000914400000000,  0.0000527900000000,  0.0003286500000000 ]  - [   0.0000000000000000,  0.0001419500000000,  0.0005951600000000 ]  - [   0.0000000000000000,  0.0001410600000000,  0.0005979700000000 ]  - [   0.0000947400000000,  0.0000547000000000,  0.0003323300000000 ]  - [  -0.0000947400000000,  0.0000547000000000,  0.0003323300000000 ]  - [   0.0000039700000000,  0.0000022900000000,  0.0001821600000000 ]  - [  -0.0000039700000000,  0.0000022900000000,  0.0001821600000000 ]  - [   0.0000000000000000, -0.0001093900000000,  0.0003323300000000 ]  - [   0.0001221600000000, -0.0000705300000000,  0.0005979700000000 ]  - [   0.0000000000000000, -0.0000045800000000,  0.0001821600000000 ]  - [  -0.0001221600000000, -0.0000705300000000,  0.0005979700000000 ]  - [   0.0000000000000000,  0.0106357800000000,  0.0049316700000000 ]  - [   0.0009547200000000,  0.0005512100000000, -0.0004590900000000 ]  - [  -0.0009547200000000,  0.0005512100000000, -0.0004590900000000 ]  - [  -0.0000729900000000, -0.0000421400000000, -0.0004727300000000 ]  - [   0.0000729900000000, -0.0000421400000000, -0.0004727300000000 ]  - [   0.0000000000000000, -0.0011024200000000, -0.0004590900000000 ]  - [   0.0092108600000000, -0.0053178900000000,  0.0049316700000000 ]  - [   0.0000000000000000,  0.0000842800000000, -0.0004727300000000 ]  - [  -0.0092108600000000, -0.0053178900000000,  0.0049316700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011599600000000 ]  - [  -0.0000001400000000, -0.0000005900000000,  0.0009348300000000 ]  - [   0.0000001400000000, -0.0000005900000000,  0.0009348300000000 ]  - [   0.0000005800000000,  0.0000001800000000,  0.0009348300000000 ]  - [  -0.0000005800000000,  0.0000001800000000,  0.0009348300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008290000000000 ]  - [   0.0000004400000000,  0.0000004100000000,  0.0009348300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008288200000000 ]  - [  -0.0000004400000000,  0.0000004100000000,  0.0009348300000000 ]  - [  -0.0091508300000000, -0.0052832300000000,  0.0048401700000000 ]  - [   0.0000000000000000,  0.0000849200000000, -0.0004741500000000 ]  - [   0.0091508300000000, -0.0052832300000000,  0.0048401700000000 ]  - [   0.0000000000000000, -0.0011038600000000, -0.0004596900000000 ]  - [   0.0000735400000000, -0.0000424600000000, -0.0004741500000000 ]  - [  -0.0000735400000000, -0.0000424600000000, -0.0004741500000000 ]  - [  -0.0009559700000000,  0.0005519300000000, -0.0004596900000000 ]  - [   0.0009559700000000,  0.0005519300000000, -0.0004596900000000 ]  - [   0.0000000000000000,  0.0105664700000000,  0.0048401700000000 ]- atom:   82  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0100440700000000,  0.0000503400000000,  0.0000391800000000 ]  - [  -0.0031677800000000,  0.0033078900000000,  0.0017940800000000 ]  - [  -0.0031557500000000, -0.0032779400000000, -0.0017654700000000 ]  - [   0.0170254900000000, -0.0040185500000000,  0.0043914900000000 ]  - [   0.0181167600000000,  0.0046768700000000, -0.0050345900000000 ]  - [  -0.0071099400000000, -0.0000078400000000,  0.0000177500000000 ]  - [  -0.0011098800000000,  0.0034690800000000,  0.0008626900000000 ]  - [   0.0025415800000000,  0.0000066300000000,  0.0000067900000000 ]  - [  -0.0011004500000000, -0.0034642900000000, -0.0008373600000000 ]  - [   0.0181167600000000, -0.0046768700000000,  0.0050345900000000 ]  - [  -0.0071099400000000,  0.0000078400000000, -0.0000177500000000 ]  - [   0.0170254900000000,  0.0040185500000000, -0.0043914900000000 ]  - [   0.0100440700000000, -0.0000503400000000, -0.0000391800000000 ]  - [  -0.0031677800000000, -0.0033078900000000, -0.0017940800000000 ]  - [  -0.0031557500000000,  0.0032779400000000,  0.0017654700000000 ]  - [  -0.0011004500000000,  0.0034642900000000,  0.0008373600000000 ]  - [  -0.0011098800000000, -0.0034690800000000, -0.0008626900000000 ]  - [   0.0025415800000000, -0.0000066300000000, -0.0000067900000000 ]  - [   0.0004660100000000, -0.0000251400000000, -0.0046428900000000 ]  - [  -0.0006914900000000, -0.0000000400000000,  0.0000085400000000 ]  - [   0.0004748200000000,  0.0000286100000000,  0.0046625200000000 ]  - [   0.0004238800000000,  0.0000004200000000,  0.0000208700000000 ]  - [  -0.0002665300000000, -0.0001963600000000, -0.0009055900000000 ]  - [  -0.0002684800000000,  0.0001982200000000,  0.0009167100000000 ]  - [  -0.0000424200000000,  0.0003758900000000, -0.0002362400000000 ]  - [  -0.0000408600000000, -0.0003744500000000,  0.0002590800000000 ]  - [   0.0000741000000000, -0.0000000500000000,  0.0000094600000000 ]  - [   0.0008523000000000, -0.0000013400000000, -0.0000117700000000 ]  - [  -0.0004360100000000, -0.0001682700000000, -0.0003209600000000 ]  - [  -0.0004373100000000,  0.0001668700000000,  0.0002958600000000 ]  - [   0.0000776200000000,  0.0004321600000000,  0.0001387600000000 ]  - [   0.0000798500000000, -0.0004319300000000, -0.0001613900000000 ]  - [  -0.0001453300000000, -0.0000000400000000, -0.0000140800000000 ]  - [   0.0003399200000000,  0.0003141000000000, -0.0001747300000000 ]  - [  -0.0006771900000000,  0.0000011500000000, -0.0000141300000000 ]  - [   0.0003406300000000, -0.0003141500000000,  0.0001485700000000 ]  - [   0.0008523000000000,  0.0000013400000000,  0.0000117700000000 ]  - [  -0.0004360100000000,  0.0001682700000000,  0.0003209600000000 ]  - [  -0.0004373100000000, -0.0001668700000000, -0.0002958600000000 ]  - [   0.0003406300000000,  0.0003141500000000, -0.0001485700000000 ]  - [   0.0003399200000000, -0.0003141000000000,  0.0001747300000000 ]  - [  -0.0006771900000000, -0.0000011500000000,  0.0000141300000000 ]  - [   0.0000798500000000,  0.0004319300000000,  0.0001613900000000 ]  - [  -0.0001453300000000,  0.0000000400000000,  0.0000140800000000 ]  - [   0.0000776200000000, -0.0004321600000000, -0.0001387600000000 ]  - [   0.0004238800000000, -0.0000004200000000, -0.0000208700000000 ]  - [  -0.0002665300000000,  0.0001963600000000,  0.0009055900000000 ]  - [  -0.0002684800000000, -0.0001982200000000, -0.0009167100000000 ]  - [   0.0004748200000000, -0.0000286100000000, -0.0046625200000000 ]  - [   0.0004660100000000,  0.0000251400000000,  0.0046428900000000 ]  - [  -0.0006914900000000,  0.0000000400000000, -0.0000085400000000 ]  - [  -0.0000408600000000,  0.0003744500000000, -0.0002590800000000 ]  - [   0.0000741000000000,  0.0000000500000000, -0.0000094600000000 ]  - [  -0.0000424200000000, -0.0003758900000000,  0.0002362400000000 ]  - [   0.0006644800000000,  0.0000048500000000,  0.0000296900000000 ]  - [  -0.0002574600000000,  0.0002678500000000, -0.0009584400000000 ]  - [  -0.0002567800000000, -0.0002739000000000,  0.0009541200000000 ]  - [   0.0007839900000000, -0.0000724600000000,  0.0091681100000000 ]  - [   0.0008272600000000,  0.0000908800000000, -0.0091927100000000 ]  - [  -0.0006069400000000, -0.0000051700000000,  0.0000003200000000 ]  - [  -0.0001146100000000,  0.0002775900000000, -0.0000722500000000 ]  - [   0.0002118500000000, -0.0000070600000000,  0.0000022100000000 ]  - [  -0.0001153700000000, -0.0002895900000000,  0.0000744200000000 ]  - [   0.0008272600000000, -0.0000908800000000,  0.0091927100000000 ]  - [  -0.0006069400000000,  0.0000051700000000, -0.0000003200000000 ]  - [   0.0007839900000000,  0.0000724600000000, -0.0091681100000000 ]  - [   0.0006644800000000, -0.0000048500000000, -0.0000296900000000 ]  - [  -0.0002574600000000, -0.0002678500000000,  0.0009584400000000 ]  - [  -0.0002567800000000,  0.0002739000000000, -0.0009541200000000 ]  - [  -0.0001153700000000,  0.0002895900000000, -0.0000744200000000 ]  - [  -0.0001146100000000, -0.0002775900000000,  0.0000722500000000 ]  - [   0.0002118500000000,  0.0000070600000000, -0.0000022100000000 ]  - [   0.0001777500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000596700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000596000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000511400000000,  0.0000636900000000, -0.0000011400000000 ]  - [   0.0000511500000000, -0.0000640400000000,  0.0000000600000000 ]  - [  -0.0000564600000000, -0.0000002400000000,  0.0000000800000000 ]  - [   0.0000511500000000,  0.0000640400000000, -0.0000000600000000 ]  - [  -0.0000564600000000,  0.0000002400000000, -0.0000000800000000 ]  - [   0.0000511400000000, -0.0000636900000000,  0.0000011400000000 ]  - [  -0.1449442500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0350528700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0346050900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000042400000000, -0.0200884800000000, -0.0039563900000000 ]  - [  -0.0000737100000000,  0.0201710000000000,  0.0039794000000000 ]  - [   0.0043047200000000,  0.0000137700000000, -0.0000035300000000 ]  - [  -0.0000737100000000, -0.0201710000000000, -0.0039794000000000 ]  - [   0.0043047200000000, -0.0000137700000000,  0.0000035300000000 ]  - [  -0.0000042400000000,  0.0200884800000000,  0.0039563900000000 ]  - [  -0.0037198500000000, -0.0000003100000000,  0.0000015800000000 ]  - [   0.0018913100000000, -0.0009722300000000,  0.0012979500000000 ]  - [   0.0018911600000000,  0.0009674600000000, -0.0012974600000000 ]  - [  -0.0007747200000000, -0.0016937400000000, -0.0013387900000000 ]  - [  -0.0007874700000000,  0.0017004100000000,  0.0013355700000000 ]  - [   0.0014911800000000,  0.0000001600000000,  0.0000026600000000 ]  - [  -0.0001023700000000, -0.0009190100000000, -0.0002438200000000 ]  - [   0.0002130800000000, -0.0000047000000000, -0.0000039300000000 ]  - [  -0.0001050400000000,  0.0009217000000000,  0.0002465600000000 ]  - [  -0.0007874700000000, -0.0017004100000000, -0.0013355700000000 ]  - [   0.0014911800000000, -0.0000001600000000, -0.0000026600000000 ]  - [  -0.0007747200000000,  0.0016937400000000,  0.0013387900000000 ]  - [  -0.0037198500000000,  0.0000003100000000, -0.0000015800000000 ]  - [   0.0018913100000000,  0.0009722300000000, -0.0012979500000000 ]  - [   0.0018911600000000, -0.0009674600000000,  0.0012974600000000 ]  - [  -0.0001050400000000, -0.0009217000000000, -0.0002465600000000 ]  - [  -0.0001023700000000,  0.0009190100000000,  0.0002438200000000 ]  - [   0.0002130800000000,  0.0000047000000000,  0.0000039300000000 ]- atom:   82  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0106323900000000,  0.0123563700000000 ]  - [   0.0002670800000000, -0.0001542000000000,  0.0030236400000000 ]  - [  -0.0002670800000000, -0.0001542000000000,  0.0030236400000000 ]  - [   0.0092079200000000, -0.0053161900000000,  0.0123563700000000 ]  - [  -0.0092079200000000, -0.0053161900000000,  0.0123563700000000 ]  - [   0.0000000000000000, -0.0005559400000000,  0.0028792900000000 ]  - [   0.0004814600000000,  0.0002779700000000,  0.0028792900000000 ]  - [   0.0000000000000000,  0.0003084000000000,  0.0030236400000000 ]  - [  -0.0004814600000000,  0.0002779700000000,  0.0028792900000000 ]  - [   0.0094944000000000, -0.0054815900000000,  0.0123950900000000 ]  - [   0.0000000000000000, -0.0005610600000000,  0.0028809100000000 ]  - [  -0.0094944000000000, -0.0054815900000000,  0.0123950900000000 ]  - [   0.0000000000000000,  0.0109631900000000,  0.0123950900000000 ]  - [  -0.0002579300000000, -0.0001489200000000,  0.0030240400000000 ]  - [   0.0002579300000000, -0.0001489200000000,  0.0030240400000000 ]  - [   0.0004858900000000,  0.0002805300000000,  0.0028809100000000 ]  - [  -0.0004858900000000,  0.0002805300000000,  0.0028809100000000 ]  - [   0.0000000000000000,  0.0002978400000000,  0.0030240400000000 ]  - [   0.0002427500000000, -0.0001401500000000, -0.0033658300000000 ]  - [   0.0000000000000000, -0.0001618800000000, -0.0007438500000000 ]  - [  -0.0002427500000000, -0.0001401500000000, -0.0033658300000000 ]  - [   0.0000000000000000,  0.0002803000000000, -0.0033658300000000 ]  - [  -0.0004019000000000, -0.0002320400000000, -0.0006496400000000 ]  - [   0.0004019000000000, -0.0002320400000000, -0.0006496400000000 ]  - [   0.0001401900000000,  0.0000809400000000, -0.0007438500000000 ]  - [  -0.0001401900000000,  0.0000809400000000, -0.0007438500000000 ]  - [   0.0000000000000000,  0.0004640800000000, -0.0006496400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022206100000000 ]  - [  -0.0004600400000000, -0.0000554800000000, -0.0017419600000000 ]  - [   0.0004600400000000, -0.0000554800000000, -0.0017419600000000 ]  - [   0.0002780700000000, -0.0003706700000000, -0.0017419600000000 ]  - [  -0.0002780700000000, -0.0003706700000000, -0.0017419600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014199700000000 ]  - [  -0.0001819800000000,  0.0004261500000000, -0.0017419600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016580600000000 ]  - [   0.0001819800000000,  0.0004261500000000, -0.0017419600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022019200000000 ]  - [   0.0004575800000000, -0.0000542900000000, -0.0017241700000000 ]  - [  -0.0004575800000000, -0.0000542900000000, -0.0017241700000000 ]  - [  -0.0001817800000000,  0.0004234200000000, -0.0017241700000000 ]  - [   0.0001817800000000,  0.0004234200000000, -0.0017241700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016336100000000 ]  - [   0.0002758000000000, -0.0003691400000000, -0.0017241700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013992200000000 ]  - [  -0.0002758000000000, -0.0003691400000000, -0.0017241700000000 ]  - [   0.0000000000000000,  0.0002778500000000, -0.0033658800000000 ]  - [   0.0003997600000000, -0.0002308000000000, -0.0006690600000000 ]  - [  -0.0003997600000000, -0.0002308000000000, -0.0006690600000000 ]  - [   0.0002406200000000, -0.0001389200000000, -0.0033658800000000 ]  - [  -0.0002406200000000, -0.0001389200000000, -0.0033658800000000 ]  - [   0.0000000000000000, -0.0001603600000000, -0.0007601100000000 ]  - [   0.0001388800000000,  0.0000801800000000, -0.0007601100000000 ]  - [   0.0000000000000000,  0.0004616000000000, -0.0006690600000000 ]  - [  -0.0001388800000000,  0.0000801800000000, -0.0007601100000000 ]  - [   0.0000000000000000, -0.0000034300000000,  0.0048865600000000 ]  - [   0.0000095300000000, -0.0000055000000000, -0.0004427100000000 ]  - [  -0.0000095300000000, -0.0000055000000000, -0.0004427100000000 ]  - [  -0.0000029700000000,  0.0000017200000000,  0.0048865600000000 ]  - [   0.0000029700000000,  0.0000017200000000,  0.0048865600000000 ]  - [   0.0000000000000000, -0.0000613400000000, -0.0004557200000000 ]  - [   0.0000531200000000,  0.0000306700000000, -0.0004557200000000 ]  - [   0.0000000000000000,  0.0000110000000000, -0.0004427100000000 ]  - [  -0.0000531200000000,  0.0000306700000000, -0.0004557200000000 ]  - [   0.0000186900000000, -0.0000107900000000,  0.0049116400000000 ]  - [   0.0000000000000000, -0.0000632000000000, -0.0004604600000000 ]  - [  -0.0000186900000000, -0.0000107900000000,  0.0049116400000000 ]  - [   0.0000000000000000,  0.0000215800000000,  0.0049116400000000 ]  - [  -0.0000111700000000, -0.0000064500000000, -0.0004445600000000 ]  - [   0.0000111700000000, -0.0000064500000000, -0.0004445600000000 ]  - [   0.0000547300000000,  0.0000316000000000, -0.0004604600000000 ]  - [  -0.0000547300000000,  0.0000316000000000, -0.0004604600000000 ]  - [   0.0000000000000000,  0.0000129000000000, -0.0004445600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011715000000000 ]  - [   0.0000000100000000, -0.0000173200000000,  0.0009527000000000 ]  - [  -0.0000000100000000, -0.0000173200000000,  0.0009527000000000 ]  - [   0.0000150000000000,  0.0000086700000000,  0.0009527000000000 ]  - [  -0.0000150000000000,  0.0000086700000000,  0.0009527000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008460700000000 ]  - [   0.0000150100000000,  0.0000086500000000,  0.0009527000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008524800000000 ]  - [  -0.0000150100000000,  0.0000086500000000,  0.0009527000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0550295900000000 ]  - [  -0.0000503800000000,  0.0045814300000000, -0.0109488900000000 ]  - [   0.0000503800000000,  0.0045814300000000, -0.0109488900000000 ]  - [  -0.0039424500000000, -0.0023343500000000, -0.0109488900000000 ]  - [   0.0039424500000000, -0.0023343500000000, -0.0109488900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035198200000000 ]  - [  -0.0039928300000000, -0.0022470800000000, -0.0109488900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035238100000000 ]  - [   0.0039928300000000, -0.0022470800000000, -0.0109488900000000 ]  - [   0.0000000000000000, -0.0015486000000000,  0.0031162800000000 ]  - [   0.0013020400000000, -0.0007517300000000,  0.0028058200000000 ]  - [  -0.0013020400000000, -0.0007517300000000,  0.0028058200000000 ]  - [  -0.0013411300000000,  0.0007743000000000,  0.0031162800000000 ]  - [   0.0013411300000000,  0.0007743000000000,  0.0031162800000000 ]  - [   0.0000000000000000,  0.0002845900000000,  0.0016627200000000 ]  - [  -0.0002464600000000, -0.0001422900000000,  0.0016627200000000 ]  - [   0.0000000000000000,  0.0015034600000000,  0.0028058200000000 ]  - [   0.0002464600000000, -0.0001422900000000,  0.0016627200000000 ]  - [  -0.0013334400000000,  0.0007698600000000,  0.0031159700000000 ]  - [   0.0000000000000000,  0.0002813800000000,  0.0016678100000000 ]  - [   0.0013334400000000,  0.0007698600000000,  0.0031159700000000 ]  - [   0.0000000000000000, -0.0015397300000000,  0.0031159700000000 ]  - [  -0.0012930000000000, -0.0007465200000000,  0.0028018500000000 ]  - [   0.0012930000000000, -0.0007465200000000,  0.0028018500000000 ]  - [  -0.0002436800000000, -0.0001406900000000,  0.0016678100000000 ]  - [   0.0002436800000000, -0.0001406900000000,  0.0016678100000000 ]  - [   0.0000000000000000,  0.0014930300000000,  0.0028018500000000 ]