# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fba08332-ce11-4abe-84f1-30b5f4b34834/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 BiOF / P4/nmm (129) / materials id 23074](https://mdr.nims.go.jp/datasets/5b7b1e85-e19c-4742-b7ae-5801f1948947)

## 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: "P4/nmm"  number: 129  Hall_symbol: "P 4ab 2ab -1ab"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.734364970000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.734364970000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.144965310000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: F  # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.648729620000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.351270380000000 ]    mass: 18.998403  - symbol: Bi # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.788501810000000 ]    mass: 208.980400  - symbol: Bi # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.211498190000000 ]    mass: 208.980400  reciprocal_lattice: # without 2pi  - [     0.267783146005678,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.267783146005678,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.162734848701693 ] # c*unit_cell:  lattice:  - [     3.734364970000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.734364970000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.144965310000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.648729620000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.351270380000000 ]    mass: 18.998403    reduced_to: 4  - symbol: Bi # 5    coordinates: [  0.500000000000000,  0.000000000000000,  0.788501810000000 ]    mass: 208.980400    reduced_to: 5  - symbol: Bi # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.211498190000000 ]    mass: 208.980400    reduced_to: 6supercell:  lattice:  - [    11.203094910000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.203094910000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.289930620000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.166666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.500000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.833333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.166666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.833333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.166666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.833333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.166666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.500000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.833333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.166666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 15    coordinates: [  0.833333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 16    coordinates: [  0.166666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 17    coordinates: [  0.500000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.833333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 22    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 23    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 24    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 26    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 27    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: F  # 37    coordinates: [  0.000000000000000,  0.166666666666667,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 38    coordinates: [  0.333333333333333,  0.166666666666667,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 39    coordinates: [  0.666666666666667,  0.166666666666667,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 40    coordinates: [  0.000000000000000,  0.500000000000000,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 41    coordinates: [  0.333333333333333,  0.500000000000000,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 42    coordinates: [  0.666666666666667,  0.500000000000000,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 43    coordinates: [  0.000000000000000,  0.833333333333333,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 44    coordinates: [  0.333333333333333,  0.833333333333333,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 45    coordinates: [  0.666666666666667,  0.833333333333333,  0.324364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 46    coordinates: [  0.000000000000000,  0.166666666666667,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 47    coordinates: [  0.333333333333333,  0.166666666666667,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 48    coordinates: [  0.666666666666667,  0.166666666666667,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 49    coordinates: [  0.000000000000000,  0.500000000000000,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 50    coordinates: [  0.333333333333333,  0.500000000000000,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 51    coordinates: [  0.666666666666667,  0.500000000000000,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 52    coordinates: [  0.000000000000000,  0.833333333333333,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 53    coordinates: [  0.333333333333333,  0.833333333333333,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 54    coordinates: [  0.666666666666667,  0.833333333333333,  0.824364810000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 55    coordinates: [  0.166666666666667,  0.000000000000000,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 56    coordinates: [  0.500000000000000,  0.000000000000000,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 57    coordinates: [  0.833333333333333,  0.000000000000000,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 58    coordinates: [  0.166666666666667,  0.333333333333333,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 59    coordinates: [  0.500000000000000,  0.333333333333333,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 60    coordinates: [  0.833333333333333,  0.333333333333333,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 61    coordinates: [  0.166666666666667,  0.666666666666667,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 62    coordinates: [  0.500000000000000,  0.666666666666667,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 63    coordinates: [  0.833333333333333,  0.666666666666667,  0.175635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 64    coordinates: [  0.166666666666667,  0.000000000000000,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 65    coordinates: [  0.500000000000000,  0.000000000000000,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 66    coordinates: [  0.833333333333333,  0.000000000000000,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 67    coordinates: [  0.166666666666667,  0.333333333333333,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 68    coordinates: [  0.500000000000000,  0.333333333333333,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 69    coordinates: [  0.833333333333333,  0.333333333333333,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 70    coordinates: [  0.166666666666667,  0.666666666666667,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 71    coordinates: [  0.500000000000000,  0.666666666666667,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 72    coordinates: [  0.833333333333333,  0.666666666666667,  0.675635190000000 ]    mass: 18.998403    reduced_to: 55  - symbol: Bi # 73    coordinates: [  0.166666666666667,  0.000000000000000,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 74    coordinates: [  0.500000000000000,  0.000000000000000,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 75    coordinates: [  0.833333333333333,  0.000000000000000,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 76    coordinates: [  0.166666666666667,  0.333333333333333,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 77    coordinates: [  0.500000000000000,  0.333333333333333,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 78    coordinates: [  0.833333333333333,  0.333333333333333,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 79    coordinates: [  0.166666666666667,  0.666666666666667,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 80    coordinates: [  0.500000000000000,  0.666666666666667,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 81    coordinates: [  0.833333333333333,  0.666666666666667,  0.394250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 82    coordinates: [  0.166666666666667,  0.000000000000000,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 83    coordinates: [  0.500000000000000,  0.000000000000000,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 84    coordinates: [  0.833333333333333,  0.000000000000000,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 85    coordinates: [  0.166666666666667,  0.333333333333333,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 86    coordinates: [  0.500000000000000,  0.333333333333333,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 87    coordinates: [  0.833333333333333,  0.333333333333333,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 88    coordinates: [  0.166666666666667,  0.666666666666667,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 89    coordinates: [  0.500000000000000,  0.666666666666667,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 90    coordinates: [  0.833333333333333,  0.666666666666667,  0.894250905000000 ]    mass: 208.980400    reduced_to: 73  - symbol: Bi # 91    coordinates: [  0.000000000000000,  0.166666666666667,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 92    coordinates: [  0.333333333333333,  0.166666666666667,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 93    coordinates: [  0.666666666666667,  0.166666666666667,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 94    coordinates: [  0.000000000000000,  0.500000000000000,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 95    coordinates: [  0.333333333333333,  0.500000000000000,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 96    coordinates: [  0.666666666666667,  0.500000000000000,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 97    coordinates: [  0.000000000000000,  0.833333333333333,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 98    coordinates: [  0.333333333333333,  0.833333333333333,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 99    coordinates: [  0.666666666666667,  0.833333333333333,  0.105749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 100    coordinates: [  0.000000000000000,  0.166666666666667,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 101    coordinates: [  0.333333333333333,  0.166666666666667,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 102    coordinates: [  0.666666666666667,  0.166666666666667,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 104    coordinates: [  0.333333333333333,  0.500000000000000,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 105    coordinates: [  0.666666666666667,  0.500000000000000,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 106    coordinates: [  0.000000000000000,  0.833333333333333,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 107    coordinates: [  0.333333333333333,  0.833333333333333,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 108    coordinates: [  0.666666666666667,  0.833333333333333,  0.605749095000000 ]    mass: 208.980400    reduced_to: 91born_effective_charge:- # 1 (O)  - [ -2.818413070000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.818413070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.860835910000000 ]- # 2 (O)  - [ -2.818413070000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.818413070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.860835910000000 ]- # 3 (F)  - [ -1.757222190000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.757222190000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.916221430000000 ]- # 4 (F)  - [ -1.757222190000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.757222190000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.916221430000000 ]- # 5 (Bi)  - [  4.575635260000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.575635260000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.777057340000000 ]- # 6 (Bi)  - [  4.575635260000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.575635260000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.777057340000001 ]dielectric_constant:  - [  5.283014050000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.283014050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.421849280000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1259609500000000,  0.0000000000000000, -0.0014869500000000 ]  - [   0.0043612400000000,  0.0000000000000000, -0.0040973100000000 ]  - [   0.0043729600000000,  0.0000000000000000,  0.0040975800000000 ]  - [  -0.0023262000000000, -0.0000118700000000, -0.0000362400000000 ]  - [   0.0025423400000000,  0.0020990000000000,  0.0006247100000000 ]  - [   0.0025387600000000, -0.0020900600000000, -0.0006280700000000 ]  - [  -0.0023262000000000,  0.0000118700000000, -0.0000362400000000 ]  - [   0.0025423400000000, -0.0020990000000000,  0.0006247100000000 ]  - [   0.0025387600000000,  0.0020900600000000, -0.0006280700000000 ]  - [  -0.0015084900000000,  0.0000000000000000,  0.0000046700000000 ]  - [   0.0006575400000000,  0.0000000000000000,  0.0005349200000000 ]  - [   0.0006591800000000,  0.0000000000000000, -0.0005285500000000 ]  - [  -0.0004072300000000,  0.0000014900000000,  0.0000041900000000 ]  - [   0.0002020500000000,  0.0003536700000000,  0.0004453000000000 ]  - [   0.0002060700000000, -0.0003499900000000, -0.0004386200000000 ]  - [  -0.0004072300000000, -0.0000014900000000,  0.0000041900000000 ]  - [   0.0002020500000000, -0.0003536700000000,  0.0004453000000000 ]  - [   0.0002060700000000,  0.0003499900000000, -0.0004386200000000 ]  - [   0.0094030900000000,  0.0170947600000000,  0.0007481300000000 ]  - [   0.0095146100000000, -0.0173555300000000, -0.0007220800000000 ]  - [   0.0026275000000000, -0.0000020900000000, -0.0000040000000000 ]  - [   0.0094030900000000, -0.0170947600000000,  0.0007481300000000 ]  - [   0.0095146100000000,  0.0173555300000000, -0.0007220800000000 ]  - [   0.0026275000000000,  0.0000020900000000, -0.0000040000000000 ]  - [  -0.0004835000000000,  0.0000000000000000,  0.0013283900000000 ]  - [  -0.0004912500000000,  0.0000000000000000, -0.0013405900000000 ]  - [   0.0016694300000000,  0.0000000000000000, -0.0000059200000000 ]  - [  -0.0005751200000000,  0.0004902800000000,  0.0000701300000000 ]  - [  -0.0005769300000000, -0.0004942300000000, -0.0000594900000000 ]  - [   0.0011595300000000, -0.0000006600000000,  0.0000023600000000 ]  - [  -0.0005751200000000, -0.0004902800000000,  0.0000701300000000 ]  - [  -0.0005769300000000,  0.0004942300000000, -0.0000594900000000 ]  - [   0.0011595300000000,  0.0000006600000000,  0.0000023600000000 ]  - [  -0.0002285900000000,  0.0000000000000000,  0.0001517700000000 ]  - [  -0.0002298200000000,  0.0000000000000000, -0.0001454000000000 ]  - [   0.0004601900000000,  0.0000000000000000,  0.0000004600000000 ]  - [  -0.0013027300000000,  0.0000000000000000, -0.0063738900000000 ]  - [  -0.0013112000000000,  0.0000000000000000,  0.0062381500000000 ]  - [   0.0007180200000000,  0.0000000000000000, -0.0000890400000000 ]  - [  -0.0002373600000000, -0.0000483500000000, -0.0007016900000000 ]  - [  -0.0002374400000000,  0.0000499500000000,  0.0005225000000000 ]  - [   0.0005006200000000,  0.0000010400000000, -0.0000901800000000 ]  - [  -0.0002373600000000,  0.0000483500000000, -0.0007016900000000 ]  - [  -0.0002374400000000, -0.0000499500000000,  0.0005225000000000 ]  - [   0.0005006200000000, -0.0000010400000000, -0.0000901800000000 ]  - [   0.0035624200000000,  0.0000000000000000,  0.0061204400000000 ]  - [   0.0035952000000000,  0.0000000000000000, -0.0063890200000000 ]  - [   0.0020739400000000,  0.0000000000000000, -0.0000906600000000 ]  - [  -0.0010288800000000,  0.0001344100000000,  0.0002787700000000 ]  - [  -0.0010656000000000, -0.0001565100000000, -0.0004591800000000 ]  - [   0.0011750000000000,  0.0000014800000000, -0.0000913800000000 ]  - [  -0.0010288800000000, -0.0001344100000000,  0.0002787700000000 ]  - [  -0.0010656000000000,  0.0001565100000000, -0.0004591800000000 ]  - [   0.0011750000000000, -0.0000014800000000, -0.0000913800000000 ]  - [  -0.0030119800000000, -0.0000075300000000,  0.0000894200000000 ]  - [   0.0038110500000000, -0.0035448000000000,  0.0009969000000000 ]  - [   0.0037918700000000,  0.0035184400000000, -0.0008101200000000 ]  - [  -0.0030119800000000,  0.0000075300000000,  0.0000894200000000 ]  - [   0.0038110500000000,  0.0035448000000000,  0.0009969000000000 ]  - [   0.0037918700000000, -0.0035184400000000, -0.0008101200000000 ]  - [  -0.0018750600000000,  0.0000000000000000,  0.0000885500000000 ]  - [   0.0008183500000000,  0.0000000000000000,  0.0002753100000000 ]  - [   0.0008188500000000,  0.0000000000000000, -0.0000939200000000 ]  - [  -0.0001343600000000, -0.0000058400000000,  0.0001161800000000 ]  - [   0.0001571600000000, -0.0000808100000000, -0.0005224900000000 ]  - [   0.0001596200000000,  0.0000794800000000,  0.0007043400000000 ]  - [  -0.0001343600000000,  0.0000058400000000,  0.0001161800000000 ]  - [   0.0001571600000000,  0.0000808100000000, -0.0005224900000000 ]  - [   0.0001596200000000, -0.0000794800000000,  0.0007043400000000 ]  - [  -0.0002383600000000,  0.0000000000000000,  0.0000936100000000 ]  - [   0.0001160500000000,  0.0000000000000000, -0.0000526800000000 ]  - [   0.0001188700000000,  0.0000000000000000,  0.0002365100000000 ]  - [   0.0027513100000000,  0.0000068200000000,  0.0000229800000000 ]  - [  -0.0013700900000000,  0.0009384000000000, -0.0020450500000000 ]  - [  -0.0013665500000000, -0.0009300900000000,  0.0020929300000000 ]  - [   0.0027513100000000, -0.0000068200000000,  0.0000229800000000 ]  - [  -0.0013700900000000, -0.0009384000000000, -0.0020450500000000 ]  - [  -0.0013665500000000,  0.0009300900000000,  0.0020929300000000 ]  - [   0.0008945300000000,  0.0000000000000000,  0.0000277200000000 ]  - [  -0.0004498400000000,  0.0000000000000000, -0.0002983300000000 ]  - [  -0.0004533300000000,  0.0000000000000000,  0.0003591100000000 ]  - [   0.0137167700000000,  0.0000290300000000,  0.0001237100000000 ]  - [  -0.0049282100000000,  0.0018477200000000,  0.0026242700000000 ]  - [  -0.0049375400000000, -0.0018408300000000, -0.0025518400000000 ]  - [   0.0137167700000000, -0.0000290300000000,  0.0001237100000000 ]  - [  -0.0049282100000000, -0.0018477200000000,  0.0026242700000000 ]  - [  -0.0049375400000000,  0.0018408300000000, -0.0025518400000000 ]  - [   0.0015014400000000,  0.0000000000000000,  0.0000374300000000 ]  - [  -0.0007114700000000,  0.0000000000000000,  0.0010882600000000 ]  - [  -0.0007260900000000,  0.0000000000000000, -0.0010110900000000 ]  - [   0.0259097900000000,  0.0000000000000000, -0.0154675600000000 ]  - [   0.0275333100000000,  0.0000000000000000,  0.0167248000000000 ]  - [  -0.0083461900000000,  0.0000000000000000, -0.0000242900000000 ]  - [   0.0020574500000000,  0.0046705500000000,  0.0021793500000000 ]  - [   0.0020742800000000, -0.0046896500000000, -0.0022380900000000 ]  - [  -0.0039967200000000, -0.0000062000000000, -0.0000276300000000 ]  - [   0.0020574500000000, -0.0046705500000000,  0.0021793500000000 ]  - [   0.0020742800000000,  0.0046896500000000, -0.0022380900000000 ]  - [  -0.0039967200000000,  0.0000062000000000, -0.0000276300000000 ]  - [   0.0007242900000000,  0.0000000000000000, -0.0013052000000000 ]  - [   0.0007395100000000,  0.0000000000000000,  0.0012240100000000 ]  - [  -0.0013503700000000,  0.0000000000000000, -0.0000335600000000 ]  - [   0.0003988200000000,  0.0002740400000000, -0.0000664700000000 ]  - [   0.0004098400000000, -0.0002727300000000, -0.0000179500000000 ]  - [  -0.0008164500000000, -0.0000008200000000, -0.0000344900000000 ]  - [   0.0003988200000000, -0.0002740400000000, -0.0000664700000000 ]  - [   0.0004098400000000,  0.0002727300000000, -0.0000179500000000 ]  - [  -0.0008164500000000,  0.0000008200000000, -0.0000344900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.1023579900000000 ]  - [   0.0041187500000000,  0.0000000000000000, -0.0090729100000000 ]  - [  -0.0041187500000000,  0.0000000000000000, -0.0090729100000000 ]  - [   0.0000000000000000, -0.0040763800000000, -0.0090095700000000 ]  - [  -0.0006315400000000,  0.0006213100000000, -0.0002888400000000 ]  - [   0.0006315400000000,  0.0006213100000000, -0.0002888400000000 ]  - [   0.0000000000000000,  0.0040763800000000, -0.0090095700000000 ]  - [  -0.0006315400000000, -0.0006213100000000, -0.0002888400000000 ]  - [   0.0006315400000000, -0.0006213100000000, -0.0002888400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0019375000000000 ]  - [  -0.0005316900000000,  0.0000000000000000,  0.0008918000000000 ]  - [   0.0005316900000000,  0.0000000000000000,  0.0008918000000000 ]  - [   0.0000000000000000,  0.0005316600000000,  0.0008927100000000 ]  - [  -0.0004418800000000,  0.0004419700000000,  0.0007196700000000 ]  - [   0.0004418800000000,  0.0004419700000000,  0.0007196700000000 ]  - [   0.0000000000000000, -0.0005316600000000,  0.0008927100000000 ]  - [  -0.0004418800000000, -0.0004419700000000,  0.0007196700000000 ]  - [   0.0004418800000000, -0.0004419700000000,  0.0007196700000000 ]  - [   0.0007905800000000, -0.0006801700000000, -0.0056202900000000 ]  - [  -0.0007905800000000, -0.0006801700000000, -0.0056202900000000 ]  - [   0.0000000000000000, -0.0013367700000000, -0.0010141400000000 ]  - [   0.0007905800000000,  0.0006801700000000, -0.0056202900000000 ]  - [  -0.0007905800000000,  0.0006801700000000, -0.0056202900000000 ]  - [   0.0000000000000000,  0.0013367700000000, -0.0010141400000000 ]  - [   0.0013322600000000,  0.0000000000000000, -0.0010130600000000 ]  - [  -0.0013322600000000,  0.0000000000000000, -0.0010130600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018178600000000 ]  - [   0.0000646500000000, -0.0000652300000000,  0.0014777700000000 ]  - [  -0.0000646500000000, -0.0000652300000000,  0.0014777700000000 ]  - [   0.0000000000000000, -0.0001487800000000,  0.0005748900000000 ]  - [   0.0000646500000000,  0.0000652300000000,  0.0014777700000000 ]  - [  -0.0000646500000000,  0.0000652300000000,  0.0014777700000000 ]  - [   0.0000000000000000,  0.0001487800000000,  0.0005748900000000 ]  - [   0.0001485000000000,  0.0000000000000000,  0.0005756600000000 ]  - [  -0.0001485000000000,  0.0000000000000000,  0.0005756600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001006200000000 ]  - [   0.0008662200000000,  0.0000000000000000,  0.0038543400000000 ]  - [  -0.0008662200000000,  0.0000000000000000,  0.0038543400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005781200000000 ]  - [  -0.0000352200000000,  0.0003762000000000, -0.0001196700000000 ]  - [   0.0000352200000000,  0.0003762000000000, -0.0001196700000000 ]  - [   0.0000000000000000,  0.0002804600000000,  0.0001231500000000 ]  - [  -0.0000352200000000, -0.0003762000000000, -0.0001196700000000 ]  - [   0.0000352200000000, -0.0003762000000000, -0.0001196700000000 ]  - [   0.0000000000000000, -0.0002804600000000,  0.0001231500000000 ]  - [   0.0064913700000000,  0.0000000000000000,  0.0049432600000000 ]  - [  -0.0064913700000000,  0.0000000000000000,  0.0049432600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010463700000000 ]  - [   0.0038452000000000, -0.0023559700000000,  0.0004326700000000 ]  - [  -0.0038452000000000, -0.0023559700000000,  0.0004326700000000 ]  - [   0.0000000000000000,  0.0004707300000000, -0.0001722500000000 ]  - [   0.0038452000000000,  0.0023559700000000,  0.0004326700000000 ]  - [  -0.0038452000000000,  0.0023559700000000,  0.0004326700000000 ]  - [   0.0000000000000000, -0.0004707300000000, -0.0001722500000000 ]  - [   0.0000000000000000, -0.0066165100000000,  0.0052225800000000 ]  - [   0.0023605500000000, -0.0038570000000000,  0.0006166600000000 ]  - [  -0.0023605500000000, -0.0038570000000000,  0.0006166600000000 ]  - [   0.0000000000000000,  0.0066165100000000,  0.0052225800000000 ]  - [   0.0023605500000000,  0.0038570000000000,  0.0006166600000000 ]  - [  -0.0023605500000000,  0.0038570000000000,  0.0006166600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008615800000000 ]  - [  -0.0004707500000000,  0.0000000000000000,  0.0000094700000000 ]  - [   0.0004707500000000,  0.0000000000000000,  0.0000094700000000 ]  - [   0.0000000000000000, -0.0008640700000000,  0.0040621100000000 ]  - [  -0.0003750900000000,  0.0000345800000000,  0.0000623700000000 ]  - [   0.0003750900000000,  0.0000345800000000,  0.0000623700000000 ]  - [   0.0000000000000000,  0.0008640700000000,  0.0040621100000000 ]  - [  -0.0003750900000000, -0.0000345800000000,  0.0000623700000000 ]  - [   0.0003750900000000, -0.0000345800000000,  0.0000623700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007581000000000 ]  - [  -0.0002807800000000,  0.0000000000000000,  0.0003057600000000 ]  - [   0.0002807800000000,  0.0000000000000000,  0.0003057600000000 ]  - [   0.0000000000000000,  0.0013217300000000, -0.0036228600000000 ]  - [  -0.0001825000000000,  0.0009366900000000, -0.0021038400000000 ]  - [   0.0001825000000000,  0.0009366900000000, -0.0021038400000000 ]  - [   0.0000000000000000, -0.0013217300000000, -0.0036228600000000 ]  - [  -0.0001825000000000, -0.0009366900000000, -0.0021038400000000 ]  - [   0.0001825000000000, -0.0009366900000000, -0.0021038400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001653800000000 ]  - [   0.0002973100000000,  0.0000000000000000, -0.0003683400000000 ]  - [  -0.0002973100000000,  0.0000000000000000, -0.0003683400000000 ]  - [   0.0000000000000000,  0.0122939900000000,  0.0291751000000000 ]  - [   0.0025262100000000,  0.0020102200000000,  0.0026824100000000 ]  - [  -0.0025262100000000,  0.0020102200000000,  0.0026824100000000 ]  - [   0.0000000000000000, -0.0122939900000000,  0.0291751000000000 ]  - [   0.0025262100000000, -0.0020102200000000,  0.0026824100000000 ]  - [  -0.0025262100000000, -0.0020102200000000,  0.0026824100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003649900000000 ]  - [   0.0020004400000000,  0.0000000000000000,  0.0013238300000000 ]  - [  -0.0020004400000000,  0.0000000000000000,  0.0013238300000000 ]  - [  -0.0131762400000000,  0.0000000000000000,  0.0297092500000000 ]  - [   0.0131762400000000,  0.0000000000000000,  0.0297092500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002980300000000 ]  - [  -0.0019897100000000, -0.0025042100000000,  0.0026429100000000 ]  - [   0.0019897100000000, -0.0025042100000000,  0.0026429100000000 ]  - [   0.0000000000000000, -0.0020058900000000,  0.0012670800000000 ]  - [  -0.0019897100000000,  0.0025042100000000,  0.0026429100000000 ]  - [   0.0019897100000000,  0.0025042100000000,  0.0026429100000000 ]  - [   0.0000000000000000,  0.0020058900000000,  0.0012670800000000 ]  - [  -0.0013273500000000,  0.0000000000000000, -0.0036763000000000 ]  - [   0.0013273500000000,  0.0000000000000000, -0.0036763000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002261300000000 ]  - [  -0.0009393700000000,  0.0001840100000000, -0.0021664600000000 ]  - [   0.0009393700000000,  0.0001840100000000, -0.0021664600000000 ]  - [   0.0000000000000000, -0.0002958200000000, -0.0004333100000000 ]  - [  -0.0009393700000000, -0.0001840100000000, -0.0021664600000000 ]  - [   0.0009393700000000, -0.0001840100000000, -0.0021664600000000 ]  - [   0.0000000000000000,  0.0002958200000000, -0.0004333100000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0013281900000000,  0.0000000000000000,  0.0008770200000000 ]  - [   0.0007186000000000,  0.0000000000000000,  0.0000008100000000 ]  - [  -0.0012840700000000,  0.0000000000000000, -0.0008529500000000 ]  - [  -0.0002396200000000,  0.0000782900000000, -0.0000361300000000 ]  - [   0.0005011700000000, -0.0000005000000000,  0.0000001400000000 ]  - [  -0.0002337500000000, -0.0000820700000000,  0.0000337400000000 ]  - [  -0.0002396200000000, -0.0000782900000000, -0.0000361300000000 ]  - [   0.0005011700000000,  0.0000005000000000,  0.0000001400000000 ]  - [  -0.0002337500000000,  0.0000820700000000,  0.0000337400000000 ]  - [   0.0035942800000000,  0.0000000000000000,  0.0065936000000000 ]  - [   0.0020747000000000,  0.0000000000000000, -0.0000019000000000 ]  - [   0.0035645600000000,  0.0000000000000000, -0.0065136400000000 ]  - [  -0.0010515600000000,  0.0035475100000000,  0.0038676900000000 ]  - [   0.0011758400000000,  0.0000004000000000,  0.0000008600000000 ]  - [  -0.0010418700000000, -0.0035157500000000, -0.0038346600000000 ]  - [  -0.0010515600000000, -0.0035475100000000,  0.0038676900000000 ]  - [   0.0011758400000000, -0.0000004000000000,  0.0000008600000000 ]  - [  -0.0010418700000000,  0.0035157500000000, -0.0038346600000000 ]  - [  -0.0001345800000000,  0.0000226300000000,  0.0000142900000000 ]  - [   0.0001556700000000, -0.0000473800000000, -0.0003769700000000 ]  - [   0.0001606700000000,  0.0000508300000000,  0.0003742500000000 ]  - [  -0.0001345800000000, -0.0000226300000000,  0.0000142900000000 ]  - [   0.0001556700000000,  0.0000473800000000, -0.0003769700000000 ]  - [   0.0001606700000000, -0.0000508300000000,  0.0003742500000000 ]  - [  -0.0002385700000000,  0.0000000000000000,  0.0000021600000000 ]  - [   0.0001162000000000,  0.0000000000000000, -0.0002808400000000 ]  - [   0.0001182400000000,  0.0000000000000000,  0.0002802200000000 ]  - [  -0.0030121100000000,  0.0000261400000000, -0.0000239300000000 ]  - [   0.0038062200000000,  0.0001482700000000,  0.0023633300000000 ]  - [   0.0037961600000000, -0.0001424400000000, -0.0023535600000000 ]  - [  -0.0030121100000000, -0.0000261400000000, -0.0000239300000000 ]  - [   0.0038062200000000, -0.0001482700000000,  0.0023633300000000 ]  - [   0.0037961600000000,  0.0001424400000000, -0.0023535600000000 ]  - [  -0.0018749100000000,  0.0000000000000000,  0.0000036600000000 ]  - [   0.0008186200000000,  0.0000000000000000, -0.0004703500000000 ]  - [   0.0008178500000000,  0.0000000000000000,  0.0004708100000000 ]  - [  -0.0110718200000000,  0.0000000000000000, -0.0001934300000000 ]  - [   0.0014733000000000,  0.0000000000000000, -0.0002168200000000 ]  - [   0.0014636900000000,  0.0000000000000000,  0.0000328100000000 ]  - [  -0.0016178400000000, -0.0000018600000000, -0.0000947900000000 ]  - [   0.0013443800000000,  0.0009968200000000, -0.0004524300000000 ]  - [   0.0013372500000000, -0.0009900300000000,  0.0002639600000000 ]  - [  -0.0016178400000000,  0.0000018600000000, -0.0000947900000000 ]  - [   0.0013443800000000, -0.0009968200000000, -0.0004524300000000 ]  - [   0.0013372500000000,  0.0009900300000000,  0.0002639600000000 ]  - [  -0.0000536800000000,  0.0000000000000000, -0.0000886900000000 ]  - [  -0.0000369100000000,  0.0000000000000000,  0.0003981200000000 ]  - [  -0.0000330200000000,  0.0000000000000000, -0.0005737200000000 ]  - [  -0.0001018900000000, -0.0000011300000000, -0.0000888500000000 ]  - [   0.0000489200000000, -0.0000362600000000,  0.0001254200000000 ]  - [   0.0000511400000000,  0.0000348100000000, -0.0003035600000000 ]  - [  -0.0001018900000000,  0.0000011300000000, -0.0000888500000000 ]  - [   0.0000489200000000,  0.0000362600000000,  0.0001254200000000 ]  - [   0.0000511400000000, -0.0000348100000000, -0.0003035600000000 ]  - [   0.0004466000000000, -0.0010577600000000, -0.0016057700000000 ]  - [   0.0003251000000000,  0.0000005700000000,  0.0000886300000000 ]  - [   0.0004545700000000,  0.0010493300000000,  0.0017764800000000 ]  - [   0.0004466000000000,  0.0010577600000000, -0.0016057700000000 ]  - [   0.0003251000000000, -0.0000005700000000,  0.0000886300000000 ]  - [   0.0004545700000000, -0.0010493300000000,  0.0017764800000000 ]  - [  -0.0001495600000000,  0.0000000000000000, -0.0001714800000000 ]  - [   0.0003266100000000,  0.0000000000000000,  0.0000890100000000 ]  - [  -0.0001466800000000,  0.0000000000000000,  0.0003486900000000 ]  - [  -0.0004769100000000, -0.0002051900000000,  0.0004358400000000 ]  - [   0.0012482400000000, -0.0000009900000000,  0.0000932700000000 ]  - [  -0.0004734300000000,  0.0002042100000000, -0.0002482800000000 ]  - [  -0.0004769100000000,  0.0002051900000000,  0.0004358400000000 ]  - [   0.0012482400000000,  0.0000009900000000,  0.0000932700000000 ]  - [  -0.0004734300000000, -0.0002042100000000, -0.0002482800000000 ]  - [  -0.0003014900000000,  0.0000000000000000,  0.0005546000000000 ]  - [   0.0006977400000000,  0.0000000000000000,  0.0000927300000000 ]  - [  -0.0002973800000000,  0.0000000000000000, -0.0003663900000000 ]  - [  -0.0014718600000000,  0.0073963600000000, -0.0073614500000000 ]  - [  -0.0039137100000000,  0.0000025600000000,  0.0000340400000000 ]  - [  -0.0016163400000000, -0.0074539700000000,  0.0074236800000000 ]  - [  -0.0014718600000000, -0.0073963600000000, -0.0073614500000000 ]  - [  -0.0039137100000000, -0.0000025600000000,  0.0000340400000000 ]  - [  -0.0016163400000000,  0.0074539700000000,  0.0074236800000000 ]  - [   0.0009210300000000,  0.0000000000000000,  0.0010672700000000 ]  - [  -0.0018578900000000,  0.0000000000000000,  0.0000331300000000 ]  - [   0.0009123800000000,  0.0000000000000000, -0.0009906800000000 ]  - [   0.0002125600000000, -0.0002692500000000, -0.0000919600000000 ]  - [  -0.0005237500000000, -0.0000011000000000,  0.0000289000000000 ]  - [   0.0001989900000000,  0.0002595100000000,  0.0001423200000000 ]  - [   0.0002125600000000,  0.0002692500000000, -0.0000919600000000 ]  - [  -0.0005237500000000,  0.0000011000000000,  0.0000289000000000 ]  - [   0.0001989900000000, -0.0002595100000000,  0.0001423200000000 ]  - [   0.0002385800000000,  0.0000000000000000, -0.0001242600000000 ]  - [  -0.0004692500000000,  0.0000000000000000,  0.0000299400000000 ]  - [   0.0002349600000000,  0.0000000000000000,  0.0001837300000000 ]  - [   0.0046779500000000,  0.0000000000000000, -0.0000879700000000 ]  - [  -0.0010415900000000,  0.0000000000000000,  0.0017776500000000 ]  - [  -0.0010523000000000,  0.0000000000000000, -0.0018219500000000 ]  - [   0.0012760900000000,  0.0000092400000000, -0.0000283900000000 ]  - [  -0.0006815000000000, -0.0004101600000000,  0.0007787400000000 ]  - [  -0.0006851800000000,  0.0004124400000000, -0.0008346700000000 ]  - [   0.0012760900000000, -0.0000092400000000, -0.0000283900000000 ]  - [  -0.0006815000000000,  0.0004101600000000,  0.0007787400000000 ]  - [  -0.0006851800000000, -0.0004124400000000, -0.0008346700000000 ]  - [   0.0046575200000000,  0.0000000000000000, -0.0000101700000000 ]  - [  -0.0027266100000000,  0.0000000000000000, -0.0018488000000000 ]  - [  -0.0027245900000000,  0.0000000000000000,  0.0017770900000000 ]  - [   0.0032913900000000,  0.0000099500000000, -0.0000350700000000 ]  - [  -0.0014638500000000, -0.0007681700000000, -0.0010543900000000 ]  - [  -0.0014603700000000,  0.0007694300000000,  0.0009797600000000 ]  - [   0.0032913900000000, -0.0000099500000000, -0.0000350700000000 ]  - [  -0.0014638500000000,  0.0007681700000000, -0.0010543900000000 ]  - [  -0.0014603700000000, -0.0007694300000000,  0.0009797600000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0062515100000000,  0.0000000000000000,  0.0039323000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006662900000000 ]  - [   0.0062515100000000,  0.0000000000000000,  0.0039323000000000 ]  - [  -0.0006083000000000, -0.0006094500000000, -0.0000262400000000 ]  - [   0.0000000000000000, -0.0001430100000000,  0.0002143100000000 ]  - [   0.0006083000000000, -0.0006094500000000, -0.0000262400000000 ]  - [  -0.0006083000000000,  0.0006094500000000, -0.0000262400000000 ]  - [   0.0000000000000000,  0.0001430100000000,  0.0002143100000000 ]  - [   0.0006083000000000,  0.0006094500000000, -0.0000262400000000 ]  - [   0.0063036300000000,  0.0000000000000000,  0.0051144200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009573200000000 ]  - [  -0.0063036300000000,  0.0000000000000000,  0.0051144200000000 ]  - [   0.0003727600000000,  0.0008925100000000,  0.0005109600000000 ]  - [   0.0000000000000000,  0.0001835100000000, -0.0000823000000000 ]  - [  -0.0003727600000000,  0.0008925100000000,  0.0005109600000000 ]  - [   0.0003727600000000, -0.0008925100000000,  0.0005109600000000 ]  - [   0.0000000000000000, -0.0001835100000000, -0.0000823000000000 ]  - [  -0.0003727600000000, -0.0008925100000000,  0.0005109600000000 ]  - [   0.0000000000000000,  0.0062515100000000,  0.0039323000000000 ]  - [  -0.0006094500000000,  0.0006083000000000, -0.0000262400000000 ]  - [   0.0006094500000000,  0.0006083000000000, -0.0000262400000000 ]  - [   0.0000000000000000, -0.0062515100000000,  0.0039323000000000 ]  - [  -0.0006094500000000, -0.0006083000000000, -0.0000262400000000 ]  - [   0.0006094500000000, -0.0006083000000000, -0.0000262400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006662900000000 ]  - [  -0.0001430100000000,  0.0000000000000000,  0.0002143100000000 ]  - [   0.0001430100000000,  0.0000000000000000,  0.0002143100000000 ]  - [   0.0000000000000000, -0.0063036300000000,  0.0051144200000000 ]  - [   0.0008925100000000, -0.0003727600000000,  0.0005109600000000 ]  - [  -0.0008925100000000, -0.0003727600000000,  0.0005109600000000 ]  - [   0.0000000000000000,  0.0063036300000000,  0.0051144200000000 ]  - [   0.0008925100000000,  0.0003727600000000,  0.0005109600000000 ]  - [  -0.0008925100000000,  0.0003727600000000,  0.0005109600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009573200000000 ]  - [   0.0001835100000000,  0.0000000000000000, -0.0000823000000000 ]  - [  -0.0001835100000000,  0.0000000000000000, -0.0000823000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0333940100000000 ]  - [   0.0001207000000000,  0.0000000000000000, -0.0011408200000000 ]  - [  -0.0001207000000000,  0.0000000000000000, -0.0011408200000000 ]  - [   0.0000000000000000,  0.0001207000000000, -0.0011408200000000 ]  - [   0.0003544000000000,  0.0003544000000000, -0.0007875300000000 ]  - [  -0.0003544000000000,  0.0003544000000000, -0.0007875300000000 ]  - [   0.0000000000000000, -0.0001207000000000, -0.0011408200000000 ]  - [   0.0003544000000000, -0.0003544000000000, -0.0007875300000000 ]  - [  -0.0003544000000000, -0.0003544000000000, -0.0007875300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013938400000000 ]  - [  -0.0004834200000000,  0.0000000000000000,  0.0011305900000000 ]  - [   0.0004834200000000,  0.0000000000000000,  0.0011305900000000 ]  - [   0.0000000000000000, -0.0004834200000000,  0.0011305900000000 ]  - [  -0.0002128700000000, -0.0002128700000000,  0.0005547900000000 ]  - [   0.0002128700000000, -0.0002128700000000,  0.0005547900000000 ]  - [   0.0000000000000000,  0.0004834200000000,  0.0011305900000000 ]  - [  -0.0002128700000000,  0.0002128700000000,  0.0005547900000000 ]  - [   0.0002128700000000,  0.0002128700000000,  0.0005547900000000 ]  - [  -0.0016829000000000,  0.0016829000000000, -0.0003054900000000 ]  - [   0.0000000000000000,  0.0002585100000000, -0.0005582500000000 ]  - [   0.0016829000000000,  0.0016829000000000, -0.0003054900000000 ]  - [  -0.0016829000000000, -0.0016829000000000, -0.0003054900000000 ]  - [   0.0000000000000000, -0.0002585100000000, -0.0005582500000000 ]  - [   0.0016829000000000, -0.0016829000000000, -0.0003054900000000 ]  - [  -0.0002585100000000,  0.0000000000000000, -0.0005582500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004330300000000 ]  - [   0.0002585100000000,  0.0000000000000000, -0.0005582500000000 ]  - [   0.0003421000000000, -0.0003421000000000,  0.0012956600000000 ]  - [   0.0000000000000000, -0.0004623700000000,  0.0008403500000000 ]  - [  -0.0003421000000000, -0.0003421000000000,  0.0012956600000000 ]  - [   0.0003421000000000,  0.0003421000000000,  0.0012956600000000 ]  - [   0.0000000000000000,  0.0004623700000000,  0.0008403500000000 ]  - [  -0.0003421000000000,  0.0003421000000000,  0.0012956600000000 ]  - [   0.0004623700000000,  0.0000000000000000,  0.0008403500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005874400000000 ]  - [  -0.0004623700000000,  0.0000000000000000,  0.0008403500000000 ]  - [  -0.0037167600000000,  0.0037167600000000,  0.0037794300000000 ]  - [   0.0000000000000000,  0.0001706300000000,  0.0013830200000000 ]  - [   0.0037167600000000,  0.0037167600000000,  0.0037794300000000 ]  - [  -0.0037167600000000, -0.0037167600000000,  0.0037794300000000 ]  - [   0.0000000000000000, -0.0001706300000000,  0.0013830200000000 ]  - [   0.0037167600000000, -0.0037167600000000,  0.0037794300000000 ]  - [  -0.0001706300000000,  0.0000000000000000,  0.0013830200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007161400000000 ]  - [   0.0001706300000000,  0.0000000000000000,  0.0013830200000000 ]  - [   0.0013959800000000, -0.0013959800000000, -0.0026859300000000 ]  - [   0.0000000000000000, -0.0002011500000000, -0.0012234700000000 ]  - [  -0.0013959800000000, -0.0013959800000000, -0.0026859300000000 ]  - [   0.0013959800000000,  0.0013959800000000, -0.0026859300000000 ]  - [   0.0000000000000000,  0.0002011500000000, -0.0012234700000000 ]  - [  -0.0013959800000000,  0.0013959800000000, -0.0026859300000000 ]  - [   0.0002011500000000,  0.0000000000000000, -0.0012234700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007783000000000 ]  - [  -0.0002011500000000,  0.0000000000000000, -0.0012234700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0061325200000000 ]  - [   0.0024399900000000,  0.0000000000000000,  0.0013085300000000 ]  - [  -0.0024399900000000,  0.0000000000000000,  0.0013085300000000 ]  - [   0.0000000000000000,  0.0024399900000000,  0.0013085300000000 ]  - [   0.0006710100000000,  0.0006710100000000,  0.0007091700000000 ]  - [  -0.0006710100000000,  0.0006710100000000,  0.0007091700000000 ]  - [   0.0000000000000000, -0.0024399900000000,  0.0013085300000000 ]  - [   0.0006710100000000, -0.0006710100000000,  0.0007091700000000 ]  - [  -0.0006710100000000, -0.0006710100000000,  0.0007091700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0075419300000000 ]  - [  -0.0020108400000000,  0.0000000000000000, -0.0018992500000000 ]  - [   0.0020108400000000,  0.0000000000000000, -0.0018992500000000 ]  - [   0.0000000000000000, -0.0020108400000000, -0.0018992500000000 ]  - [  -0.0004073600000000, -0.0004073600000000, -0.0010078600000000 ]  - [   0.0004073600000000, -0.0004073600000000, -0.0010078600000000 ]  - [   0.0000000000000000,  0.0020108400000000, -0.0018992500000000 ]  - [  -0.0004073600000000,  0.0004073600000000, -0.0010078600000000 ]  - [   0.0004073600000000,  0.0004073600000000, -0.0010078600000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0063610900000000,  0.0000000000000000, -0.0039838600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006690200000000 ]  - [  -0.0063610900000000,  0.0000000000000000, -0.0039838600000000 ]  - [   0.0006159000000000,  0.0006173600000000,  0.0000318600000000 ]  - [   0.0000000000000000,  0.0001458500000000, -0.0002137900000000 ]  - [  -0.0006159000000000,  0.0006173600000000,  0.0000318600000000 ]  - [   0.0006159000000000, -0.0006173600000000,  0.0000318600000000 ]  - [   0.0000000000000000, -0.0001458500000000, -0.0002137900000000 ]  - [  -0.0006159000000000, -0.0006173600000000,  0.0000318600000000 ]  - [  -0.0062060400000000,  0.0000000000000000, -0.0050504800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009513100000000 ]  - [   0.0062060400000000,  0.0000000000000000, -0.0050504800000000 ]  - [  -0.0003651300000000, -0.0009146100000000, -0.0005376600000000 ]  - [   0.0000000000000000, -0.0001860100000000,  0.0000812300000000 ]  - [   0.0003651300000000, -0.0009146100000000, -0.0005376600000000 ]  - [  -0.0003651300000000,  0.0009146100000000, -0.0005376600000000 ]  - [   0.0000000000000000,  0.0001860100000000,  0.0000812300000000 ]  - [   0.0003651300000000,  0.0009146100000000, -0.0005376600000000 ]  - [   0.0000000000000000, -0.0063610900000000, -0.0039838600000000 ]  - [   0.0006173600000000, -0.0006159000000000,  0.0000318600000000 ]  - [  -0.0006173600000000, -0.0006159000000000,  0.0000318600000000 ]  - [   0.0000000000000000,  0.0063610900000000, -0.0039838600000000 ]  - [   0.0006173600000000,  0.0006159000000000,  0.0000318600000000 ]  - [  -0.0006173600000000,  0.0006159000000000,  0.0000318600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006690200000000 ]  - [   0.0001458500000000,  0.0000000000000000, -0.0002137900000000 ]  - [  -0.0001458500000000,  0.0000000000000000, -0.0002137900000000 ]  - [   0.0000000000000000,  0.0062060400000000, -0.0050504800000000 ]  - [  -0.0009146100000000,  0.0003651300000000, -0.0005376600000000 ]  - [   0.0009146100000000,  0.0003651300000000, -0.0005376600000000 ]  - [   0.0000000000000000, -0.0062060400000000, -0.0050504800000000 ]  - [  -0.0009146100000000, -0.0003651300000000, -0.0005376600000000 ]  - [   0.0009146100000000, -0.0003651300000000, -0.0005376600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009513100000000 ]  - [  -0.0001860100000000,  0.0000000000000000,  0.0000812300000000 ]  - [   0.0001860100000000,  0.0000000000000000,  0.0000812300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0333083000000000 ]  - [  -0.0001288400000000,  0.0000000000000000,  0.0009684900000000 ]  - [   0.0001288400000000,  0.0000000000000000,  0.0009684900000000 ]  - [   0.0000000000000000, -0.0001288400000000,  0.0009684900000000 ]  - [  -0.0003619800000000, -0.0003619800000000,  0.0006139600000000 ]  - [   0.0003619800000000, -0.0003619800000000,  0.0006139600000000 ]  - [   0.0000000000000000,  0.0001288400000000,  0.0009684900000000 ]  - [  -0.0003619800000000,  0.0003619800000000,  0.0006139600000000 ]  - [   0.0003619800000000,  0.0003619800000000,  0.0006139600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015902500000000 ]  - [   0.0004888700000000,  0.0000000000000000, -0.0013216700000000 ]  - [  -0.0004888700000000,  0.0000000000000000, -0.0013216700000000 ]  - [   0.0000000000000000,  0.0004888700000000, -0.0013216700000000 ]  - [   0.0002161700000000,  0.0002161700000000, -0.0007438600000000 ]  - [  -0.0002161700000000,  0.0002161700000000, -0.0007438600000000 ]  - [   0.0000000000000000, -0.0004888700000000, -0.0013216700000000 ]  - [   0.0002161700000000, -0.0002161700000000, -0.0007438600000000 ]  - [  -0.0002161700000000, -0.0002161700000000, -0.0007438600000000 ]  - [   0.0016995300000000, -0.0016995300000000,  0.0004981100000000 ]  - [   0.0000000000000000, -0.0002615500000000,  0.0007491900000000 ]  - [  -0.0016995300000000, -0.0016995300000000,  0.0004981100000000 ]  - [   0.0016995300000000,  0.0016995300000000,  0.0004981100000000 ]  - [   0.0000000000000000,  0.0002615500000000,  0.0007491900000000 ]  - [  -0.0016995300000000,  0.0016995300000000,  0.0004981100000000 ]  - [   0.0002615500000000,  0.0000000000000000,  0.0007491900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006224400000000 ]  - [  -0.0002615500000000,  0.0000000000000000,  0.0007491900000000 ]  - [  -0.0003418000000000,  0.0003418000000000, -0.0011246000000000 ]  - [   0.0000000000000000,  0.0004587000000000, -0.0006668000000000 ]  - [   0.0003418000000000,  0.0003418000000000, -0.0011246000000000 ]  - [  -0.0003418000000000, -0.0003418000000000, -0.0011246000000000 ]  - [   0.0000000000000000, -0.0004587000000000, -0.0006668000000000 ]  - [   0.0003418000000000, -0.0003418000000000, -0.0011246000000000 ]  - [  -0.0004587000000000,  0.0000000000000000, -0.0006668000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0004111600000000 ]  - [   0.0004587000000000,  0.0000000000000000, -0.0006668000000000 ]  - [   0.0037868100000000, -0.0037868100000000, -0.0036350200000000 ]  - [   0.0000000000000000, -0.0001737500000000, -0.0013316700000000 ]  - [  -0.0037868100000000, -0.0037868100000000, -0.0036350200000000 ]  - [   0.0037868100000000,  0.0037868100000000, -0.0036350200000000 ]  - [   0.0000000000000000,  0.0001737500000000, -0.0013316700000000 ]  - [  -0.0037868100000000,  0.0037868100000000, -0.0036350200000000 ]  - [   0.0001737500000000,  0.0000000000000000, -0.0013316700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006531600000000 ]  - [  -0.0001737500000000,  0.0000000000000000, -0.0013316700000000 ]  - [  -0.0014157400000000,  0.0014157400000000,  0.0027752700000000 ]  - [   0.0000000000000000,  0.0002070900000000,  0.0012986700000000 ]  - [   0.0014157400000000,  0.0014157400000000,  0.0027752700000000 ]  - [  -0.0014157400000000, -0.0014157400000000,  0.0027752700000000 ]  - [   0.0000000000000000, -0.0002070900000000,  0.0012986700000000 ]  - [   0.0014157400000000, -0.0014157400000000,  0.0027752700000000 ]  - [  -0.0002070900000000,  0.0000000000000000,  0.0012986700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0008506600000000 ]  - [   0.0002070900000000,  0.0000000000000000,  0.0012986700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057416800000000 ]  - [  -0.0024598500000000,  0.0000000000000000, -0.0014062600000000 ]  - [   0.0024598500000000,  0.0000000000000000, -0.0014062600000000 ]  - [   0.0000000000000000, -0.0024598500000000, -0.0014062600000000 ]  - [  -0.0006759000000000, -0.0006759000000000, -0.0007877800000000 ]  - [   0.0006759000000000, -0.0006759000000000, -0.0007877800000000 ]  - [   0.0000000000000000,  0.0024598500000000, -0.0014062600000000 ]  - [  -0.0006759000000000,  0.0006759000000000, -0.0007877800000000 ]  - [   0.0006759000000000,  0.0006759000000000, -0.0007877800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0074669800000000 ]  - [   0.0019975400000000,  0.0000000000000000,  0.0018573200000000 ]  - [  -0.0019975400000000,  0.0000000000000000,  0.0018573200000000 ]  - [   0.0000000000000000,  0.0019975400000000,  0.0018573200000000 ]  - [   0.0004117900000000,  0.0004117900000000,  0.0009601300000000 ]  - [  -0.0004117900000000,  0.0004117900000000,  0.0009601300000000 ]  - [   0.0000000000000000, -0.0019975400000000,  0.0018573200000000 ]  - [   0.0004117900000000, -0.0004117900000000,  0.0009601300000000 ]  - [  -0.0004117900000000, -0.0004117900000000,  0.0009601300000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0027511600000000,  0.0000055500000000, -0.0000027500000000 ]  - [  -0.0013648800000000, -0.0002742300000000,  0.0001818100000000 ]  - [  -0.0013730800000000,  0.0002739300000000, -0.0001838000000000 ]  - [   0.0008939300000000,  0.0000000000000000,  0.0000010800000000 ]  - [  -0.0004497300000000,  0.0000000000000000, -0.0002967900000000 ]  - [  -0.0004526200000000,  0.0000000000000000,  0.0002959000000000 ]  - [   0.0027511600000000, -0.0000055500000000, -0.0000027500000000 ]  - [  -0.0013648800000000,  0.0002742300000000,  0.0001818100000000 ]  - [  -0.0013730800000000, -0.0002739300000000, -0.0001838000000000 ]  - [   0.0137152200000000, -0.0000561000000000, -0.0000329700000000 ]  - [  -0.0049326000000000, -0.0046898600000000, -0.0025312300000000 ]  - [  -0.0049314600000000,  0.0046715300000000,  0.0024992000000000 ]  - [   0.0015019600000000,  0.0000000000000000,  0.0000074800000000 ]  - [  -0.0007162800000000,  0.0000000000000000, -0.0020039500000000 ]  - [  -0.0007235500000000,  0.0000000000000000,  0.0020001200000000 ]  - [   0.0137152200000000,  0.0000561000000000, -0.0000329700000000 ]  - [  -0.0049326000000000,  0.0046898600000000, -0.0025312300000000 ]  - [  -0.0049314600000000, -0.0046715300000000,  0.0024992000000000 ]  - [   0.0007241900000000,  0.0000000000000000, -0.0013276300000000 ]  - [   0.0007375200000000,  0.0000000000000000,  0.0013206700000000 ]  - [  -0.0013455800000000,  0.0000000000000000,  0.0000033300000000 ]  - [   0.0004040200000000,  0.0009349300000000, -0.0009392900000000 ]  - [   0.0004062300000000, -0.0009320000000000,  0.0009352900000000 ]  - [  -0.0008164700000000, -0.0000009700000000,  0.0000014100000000 ]  - [   0.0004040200000000, -0.0009349300000000, -0.0009392900000000 ]  - [   0.0004062300000000,  0.0009320000000000,  0.0009352900000000 ]  - [  -0.0008164700000000,  0.0000009700000000,  0.0000014100000000 ]  - [   0.0258557900000000,  0.0000000000000000, -0.0120625100000000 ]  - [   0.0275914000000000,  0.0000000000000000,  0.0134218000000000 ]  - [  -0.0083476200000000,  0.0000000000000000, -0.0000325100000000 ]  - [   0.0020532200000000,  0.0018469500000000, -0.0019998300000000 ]  - [   0.0020801200000000, -0.0018434000000000,  0.0019988000000000 ]  - [  -0.0039972900000000, -0.0000044900000000,  0.0000020500000000 ]  - [   0.0020532200000000, -0.0018469500000000, -0.0019998300000000 ]  - [   0.0020801200000000,  0.0018434000000000,  0.0019988000000000 ]  - [  -0.0039972900000000,  0.0000044900000000,  0.0000020500000000 ]  - [  -0.0016196100000000,  0.0074579400000000, -0.0038378700000000 ]  - [  -0.0014678500000000, -0.0073892900000000,  0.0036644100000000 ]  - [  -0.0039137300000000, -0.0000110500000000, -0.0000874200000000 ]  - [   0.0009100000000000,  0.0000000000000000, -0.0002637800000000 ]  - [   0.0009225300000000,  0.0000000000000000,  0.0000814700000000 ]  - [  -0.0018570200000000,  0.0000000000000000, -0.0000901800000000 ]  - [  -0.0016196100000000, -0.0074579400000000, -0.0038378700000000 ]  - [  -0.0014678500000000,  0.0073892900000000,  0.0036644100000000 ]  - [  -0.0039137300000000,  0.0000110500000000, -0.0000874200000000 ]  - [   0.0002049600000000, -0.0002637200000000,  0.0013123500000000 ]  - [   0.0002051600000000,  0.0002660000000000, -0.0014993200000000 ]  - [  -0.0005226500000000,  0.0000008500000000, -0.0000940300000000 ]  - [   0.0002353700000000,  0.0000000000000000,  0.0001125400000000 ]  - [   0.0002374400000000,  0.0000000000000000, -0.0002955400000000 ]  - [  -0.0004715200000000,  0.0000000000000000, -0.0000921700000000 ]  - [   0.0002049600000000,  0.0002637200000000,  0.0013123500000000 ]  - [   0.0002051600000000, -0.0002660000000000, -0.0014993200000000 ]  - [  -0.0005226500000000, -0.0000008500000000, -0.0000940300000000 ]  - [   0.0046782000000000,  0.0000000000000000,  0.0000162200000000 ]  - [  -0.0010449400000000,  0.0000000000000000,  0.0025496700000000 ]  - [  -0.0010461500000000,  0.0000000000000000, -0.0023486800000000 ]  - [   0.0012752600000000,  0.0000000200000000,  0.0000881300000000 ]  - [  -0.0006818900000000, -0.0004103300000000,  0.0007659400000000 ]  - [  -0.0006847900000000,  0.0004104700000000, -0.0005806100000000 ]  - [   0.0012752600000000, -0.0000000200000000,  0.0000881300000000 ]  - [  -0.0006818900000000,  0.0004103300000000,  0.0007659400000000 ]  - [  -0.0006847900000000, -0.0004104700000000, -0.0005806100000000 ]  - [   0.0046575100000000,  0.0000000000000000,  0.0000925300000000 ]  - [  -0.0027131000000000,  0.0000000000000000, -0.0019103200000000 ]  - [  -0.0027366700000000,  0.0000000000000000,  0.0020964900000000 ]  - [   0.0032917800000000,  0.0000009400000000,  0.0000958700000000 ]  - [  -0.0014606500000000, -0.0007703000000000, -0.0003203200000000 ]  - [  -0.0014641000000000,  0.0007667300000000,  0.0004989600000000 ]  - [   0.0032917800000000, -0.0000009400000000,  0.0000958700000000 ]  - [  -0.0014606500000000,  0.0007703000000000, -0.0003203200000000 ]  - [  -0.0014641000000000, -0.0007667300000000,  0.0004989600000000 ]  - [  -0.1126913200000000,  0.0000000000000000, -0.0013561400000000 ]  - [   0.0326981100000000,  0.0000000000000000, -0.0013850100000000 ]  - [   0.0323860400000000,  0.0000000000000000,  0.0014756100000000 ]  - [  -0.0103049900000000, -0.0000397100000000,  0.0000527800000000 ]  - [   0.0048771700000000,  0.0049022000000000,  0.0012703100000000 ]  - [   0.0048824700000000, -0.0048751100000000, -0.0012076500000000 ]  - [  -0.0103049900000000,  0.0000397100000000,  0.0000527800000000 ]  - [   0.0048771700000000, -0.0049022000000000,  0.0012703100000000 ]  - [   0.0048824700000000,  0.0048751100000000, -0.0012076500000000 ]  - [  -0.0024786900000000,  0.0000000000000000,  0.0000393600000000 ]  - [   0.0012254500000000,  0.0000000000000000,  0.0006139000000000 ]  - [   0.0012311000000000,  0.0000000000000000, -0.0005499600000000 ]  - [  -0.0016619700000000, -0.0000011000000000,  0.0000338000000000 ]  - [   0.0008377500000000,  0.0004035700000000,  0.0003300800000000 ]  - [   0.0008420800000000, -0.0004035900000000, -0.0002617800000000 ]  - [  -0.0016619700000000,  0.0000011000000000,  0.0000338000000000 ]  - [   0.0008377500000000, -0.0004035700000000,  0.0003300800000000 ]  - [   0.0008420800000000,  0.0004035900000000, -0.0002617800000000 ]  - [  -0.0012777000000000, -0.0013515900000000,  0.0072022600000000 ]  - [  -0.0013244600000000,  0.0013245900000000, -0.0072696600000000 ]  - [   0.0030516400000000,  0.0000029500000000, -0.0000416200000000 ]  - [  -0.0007868200000000,  0.0000000000000000,  0.0003951300000000 ]  - [  -0.0007940500000000,  0.0000000000000000, -0.0004596700000000 ]  - [   0.0015935200000000,  0.0000000000000000, -0.0000339100000000 ]  - [  -0.0012777000000000,  0.0013515900000000,  0.0072022600000000 ]  - [  -0.0013244600000000, -0.0013245900000000, -0.0072696600000000 ]  - [   0.0030516400000000, -0.0000029500000000, -0.0000416200000000 ]  - [  -0.0017414700000000, -0.0176209300000000, -0.0126192900000000 ]  - [  -0.0018144400000000,  0.0177057200000000,  0.0126339700000000 ]  - [   0.0067617100000000,  0.0000110600000000, -0.0000168200000000 ]  - [  -0.0013298900000000,  0.0000000000000000, -0.0008930600000000 ]  - [  -0.0013412500000000,  0.0000000000000000,  0.0008273300000000 ]  - [   0.0026789500000000,  0.0000000000000000, -0.0000311600000000 ]  - [  -0.0017414700000000,  0.0176209300000000, -0.0126192900000000 ]  - [  -0.0018144400000000, -0.0177057200000000,  0.0126339700000000 ]  - [   0.0067617100000000, -0.0000110600000000, -0.0000168200000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0012504500000000, -0.0036400100000000 ]  - [   0.0020579500000000,  0.0000230400000000, -0.0021256000000000 ]  - [  -0.0020579500000000,  0.0000230400000000, -0.0021256000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001952000000000 ]  - [   0.0003268200000000,  0.0000000000000000, -0.0004004700000000 ]  - [  -0.0003268200000000,  0.0000000000000000, -0.0004004700000000 ]  - [   0.0000000000000000, -0.0012504500000000, -0.0036400100000000 ]  - [   0.0020579500000000, -0.0000230400000000, -0.0021256000000000 ]  - [  -0.0020579500000000, -0.0000230400000000, -0.0021256000000000 ]  - [   0.0000000000000000,  0.0166408400000000,  0.0298318000000000 ]  - [  -0.0025836200000000, -0.0021991900000000,  0.0026577900000000 ]  - [   0.0025836200000000, -0.0021991900000000,  0.0026577900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003313000000000 ]  - [  -0.0010465000000000,  0.0000000000000000,  0.0012955700000000 ]  - [   0.0010465000000000,  0.0000000000000000,  0.0012955700000000 ]  - [   0.0000000000000000, -0.0166408400000000,  0.0298318000000000 ]  - [  -0.0025836200000000,  0.0021991900000000,  0.0026577900000000 ]  - [   0.0025836200000000,  0.0021991900000000,  0.0026577900000000 ]  - [  -0.0012504500000000,  0.0000000000000000, -0.0036400100000000 ]  - [   0.0012504500000000,  0.0000000000000000, -0.0036400100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001952000000000 ]  - [  -0.0000230400000000,  0.0020579500000000, -0.0021256000000000 ]  - [   0.0000230400000000,  0.0020579500000000, -0.0021256000000000 ]  - [   0.0000000000000000,  0.0003268200000000, -0.0004004700000000 ]  - [  -0.0000230400000000, -0.0020579500000000, -0.0021256000000000 ]  - [   0.0000230400000000, -0.0020579500000000, -0.0021256000000000 ]  - [   0.0000000000000000, -0.0003268200000000, -0.0004004700000000 ]  - [  -0.0166408400000000,  0.0000000000000000,  0.0298318000000000 ]  - [   0.0166408400000000,  0.0000000000000000,  0.0298318000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003313000000000 ]  - [   0.0021991900000000, -0.0025836200000000,  0.0026577900000000 ]  - [  -0.0021991900000000, -0.0025836200000000,  0.0026577900000000 ]  - [   0.0000000000000000, -0.0010465000000000,  0.0012955700000000 ]  - [   0.0021991900000000,  0.0025836200000000,  0.0026577900000000 ]  - [  -0.0021991900000000,  0.0025836200000000,  0.0026577900000000 ]  - [   0.0000000000000000,  0.0010465000000000,  0.0012955700000000 ]  - [  -0.0073919800000000,  0.0073919800000000,  0.0035745900000000 ]  - [   0.0073919800000000,  0.0073919800000000,  0.0035745900000000 ]  - [   0.0000000000000000, -0.0010287500000000,  0.0012590000000000 ]  - [   0.0010287500000000,  0.0000000000000000,  0.0012590000000000 ]  - [  -0.0010287500000000,  0.0000000000000000,  0.0012590000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005894300000000 ]  - [  -0.0073919800000000, -0.0073919800000000,  0.0035745900000000 ]  - [   0.0073919800000000, -0.0073919800000000,  0.0035745900000000 ]  - [   0.0000000000000000,  0.0010287500000000,  0.0012590000000000 ]  - [  -0.0001140800000000,  0.0001140800000000, -0.0028126900000000 ]  - [   0.0001140800000000,  0.0001140800000000, -0.0028126900000000 ]  - [   0.0000000000000000,  0.0001529600000000, -0.0013454600000000 ]  - [  -0.0001529600000000,  0.0000000000000000, -0.0013454600000000 ]  - [   0.0001529600000000,  0.0000000000000000, -0.0013454600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009002000000000 ]  - [  -0.0001140800000000, -0.0001140800000000, -0.0028126900000000 ]  - [   0.0001140800000000, -0.0001140800000000, -0.0028126900000000 ]  - [   0.0000000000000000, -0.0001529600000000, -0.0013454600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059881900000000 ]  - [   0.0017919400000000,  0.0000000000000000,  0.0014409500000000 ]  - [  -0.0017919400000000,  0.0000000000000000,  0.0014409500000000 ]  - [   0.0000000000000000,  0.0017919400000000,  0.0014409500000000 ]  - [   0.0008029400000000,  0.0008029400000000,  0.0008337700000000 ]  - [  -0.0008029400000000,  0.0008029400000000,  0.0008337700000000 ]  - [   0.0000000000000000, -0.0017919400000000,  0.0014409500000000 ]  - [   0.0008029400000000, -0.0008029400000000,  0.0008337700000000 ]  - [  -0.0008029400000000, -0.0008029400000000,  0.0008337700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0074474000000000 ]  - [  -0.0018003100000000,  0.0000000000000000, -0.0017689800000000 ]  - [   0.0018003100000000,  0.0000000000000000, -0.0017689800000000 ]  - [   0.0000000000000000, -0.0018003100000000, -0.0017689800000000 ]  - [  -0.0010149400000000, -0.0010149400000000, -0.0008879700000000 ]  - [   0.0010149400000000, -0.0010149400000000, -0.0008879700000000 ]  - [   0.0000000000000000,  0.0018003100000000, -0.0017689800000000 ]  - [  -0.0010149400000000,  0.0010149400000000, -0.0008879700000000 ]  - [   0.0010149400000000,  0.0010149400000000, -0.0008879700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1469205600000000 ]  - [   0.0013853700000000,  0.0000000000000000, -0.0127036900000000 ]  - [  -0.0013853700000000,  0.0000000000000000, -0.0127036900000000 ]  - [   0.0000000000000000,  0.0013853700000000, -0.0127036900000000 ]  - [  -0.0012424400000000, -0.0012424400000000, -0.0047921000000000 ]  - [   0.0012424400000000, -0.0012424400000000, -0.0047921000000000 ]  - [   0.0000000000000000, -0.0013853700000000, -0.0127036900000000 ]  - [  -0.0012424400000000,  0.0012424400000000, -0.0047921000000000 ]  - [   0.0012424400000000,  0.0012424400000000, -0.0047921000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0096057700000000 ]  - [  -0.0005733900000000,  0.0000000000000000,  0.0037085500000000 ]  - [   0.0005733900000000,  0.0000000000000000,  0.0037085500000000 ]  - [   0.0000000000000000, -0.0005733900000000,  0.0037085500000000 ]  - [  -0.0002933600000000, -0.0002933600000000,  0.0024928200000000 ]  - [   0.0002933600000000, -0.0002933600000000,  0.0024928200000000 ]  - [   0.0000000000000000,  0.0005733900000000,  0.0037085500000000 ]  - [  -0.0002933600000000,  0.0002933600000000,  0.0024928200000000 ]  - [   0.0002933600000000,  0.0002933600000000,  0.0024928200000000 ]  - [   0.0071867300000000, -0.0071867300000000,  0.0094155900000000 ]  - [  -0.0071867300000000, -0.0071867300000000,  0.0094155900000000 ]  - [   0.0000000000000000, -0.0004248800000000, -0.0010978800000000 ]  - [   0.0004248800000000,  0.0000000000000000, -0.0010978800000000 ]  - [  -0.0004248800000000,  0.0000000000000000, -0.0010978800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002701600000000 ]  - [   0.0071867300000000,  0.0071867300000000,  0.0094155900000000 ]  - [  -0.0071867300000000,  0.0071867300000000,  0.0094155900000000 ]  - [   0.0000000000000000,  0.0004248800000000, -0.0010978800000000 ]  - [  -0.0126584700000000,  0.0126584700000000,  0.0111273200000000 ]  - [   0.0126584700000000,  0.0126584700000000,  0.0111273200000000 ]  - [   0.0000000000000000,  0.0008559500000000,  0.0011049600000000 ]  - [  -0.0008559500000000,  0.0000000000000000,  0.0011049600000000 ]  - [   0.0008559500000000,  0.0000000000000000,  0.0011049600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002589000000000 ]  - [  -0.0126584700000000, -0.0126584700000000,  0.0111273200000000 ]  - [   0.0126584700000000, -0.0126584700000000,  0.0111273200000000 ]  - [   0.0000000000000000, -0.0008559500000000,  0.0011049600000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0012796500000000,  0.0036635300000000 ]  - [  -0.0020796000000000, -0.0000248700000000,  0.0021456300000000 ]  - [   0.0020796000000000, -0.0000248700000000,  0.0021456300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001922200000000 ]  - [  -0.0003313600000000,  0.0000000000000000,  0.0004008200000000 ]  - [   0.0003313600000000,  0.0000000000000000,  0.0004008200000000 ]  - [   0.0000000000000000,  0.0012796500000000,  0.0036635300000000 ]  - [  -0.0020796000000000,  0.0000248700000000,  0.0021456300000000 ]  - [   0.0020796000000000,  0.0000248700000000,  0.0021456300000000 ]  - [   0.0000000000000000, -0.0155413800000000, -0.0290562800000000 ]  - [   0.0025935900000000,  0.0022204000000000, -0.0026681200000000 ]  - [  -0.0025935900000000,  0.0022204000000000, -0.0026681200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003294400000000 ]  - [   0.0010520600000000,  0.0000000000000000, -0.0012960300000000 ]  - [  -0.0010520600000000,  0.0000000000000000, -0.0012960300000000 ]  - [   0.0000000000000000,  0.0155413800000000, -0.0290562800000000 ]  - [   0.0025935900000000, -0.0022204000000000, -0.0026681200000000 ]  - [  -0.0025935900000000, -0.0022204000000000, -0.0026681200000000 ]  - [   0.0012796500000000,  0.0000000000000000,  0.0036635300000000 ]  - [  -0.0012796500000000,  0.0000000000000000,  0.0036635300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001922200000000 ]  - [   0.0000248700000000, -0.0020796000000000,  0.0021456300000000 ]  - [  -0.0000248700000000, -0.0020796000000000,  0.0021456300000000 ]  - [   0.0000000000000000, -0.0003313600000000,  0.0004008200000000 ]  - [   0.0000248700000000,  0.0020796000000000,  0.0021456300000000 ]  - [  -0.0000248700000000,  0.0020796000000000,  0.0021456300000000 ]  - [   0.0000000000000000,  0.0003313600000000,  0.0004008200000000 ]  - [   0.0155413800000000,  0.0000000000000000, -0.0290562800000000 ]  - [  -0.0155413800000000,  0.0000000000000000, -0.0290562800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003294400000000 ]  - [  -0.0022204000000000,  0.0025935900000000, -0.0026681200000000 ]  - [   0.0022204000000000,  0.0025935900000000, -0.0026681200000000 ]  - [   0.0000000000000000,  0.0010520600000000, -0.0012960300000000 ]  - [  -0.0022204000000000, -0.0025935900000000, -0.0026681200000000 ]  - [   0.0022204000000000, -0.0025935900000000, -0.0026681200000000 ]  - [   0.0000000000000000, -0.0010520600000000, -0.0012960300000000 ]  - [   0.0073929400000000, -0.0073929400000000, -0.0038419600000000 ]  - [  -0.0073929400000000, -0.0073929400000000, -0.0038419600000000 ]  - [   0.0000000000000000,  0.0010296900000000, -0.0014546400000000 ]  - [  -0.0010296900000000,  0.0000000000000000, -0.0014546400000000 ]  - [   0.0010296900000000,  0.0000000000000000, -0.0014546400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007826200000000 ]  - [   0.0073929400000000,  0.0073929400000000, -0.0038419600000000 ]  - [  -0.0073929400000000,  0.0073929400000000, -0.0038419600000000 ]  - [   0.0000000000000000, -0.0010296900000000, -0.0014546400000000 ]  - [   0.0001203100000000, -0.0001203100000000,  0.0026472800000000 ]  - [  -0.0001203100000000, -0.0001203100000000,  0.0026472800000000 ]  - [   0.0000000000000000, -0.0001551100000000,  0.0011769300000000 ]  - [   0.0001551100000000,  0.0000000000000000,  0.0011769300000000 ]  - [  -0.0001551100000000,  0.0000000000000000,  0.0011769300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007267800000000 ]  - [   0.0001203100000000,  0.0001203100000000,  0.0026472800000000 ]  - [  -0.0001203100000000,  0.0001203100000000,  0.0026472800000000 ]  - [   0.0000000000000000,  0.0001551100000000,  0.0011769300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0058870600000000 ]  - [  -0.0018056000000000,  0.0000000000000000, -0.0012708500000000 ]  - [   0.0018056000000000,  0.0000000000000000, -0.0012708500000000 ]  - [   0.0000000000000000, -0.0018056000000000, -0.0012708500000000 ]  - [  -0.0008095200000000, -0.0008095200000000, -0.0006639600000000 ]  - [   0.0008095200000000, -0.0008095200000000, -0.0006639600000000 ]  - [   0.0000000000000000,  0.0018056000000000, -0.0012708500000000 ]  - [  -0.0008095200000000,  0.0008095200000000, -0.0006639600000000 ]  - [   0.0008095200000000,  0.0008095200000000, -0.0006639600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0075498500000000 ]  - [   0.0018228200000000,  0.0000000000000000,  0.0019857700000000 ]  - [  -0.0018228200000000,  0.0000000000000000,  0.0019857700000000 ]  - [   0.0000000000000000,  0.0018228200000000,  0.0019857700000000 ]  - [   0.0010196700000000,  0.0010196700000000,  0.0010823700000000 ]  - [  -0.0010196700000000,  0.0010196700000000,  0.0010823700000000 ]  - [   0.0000000000000000, -0.0018228200000000,  0.0019857700000000 ]  - [   0.0010196700000000, -0.0010196700000000,  0.0010823700000000 ]  - [  -0.0010196700000000, -0.0010196700000000,  0.0010823700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1444732600000000 ]  - [  -0.0014751100000000,  0.0000000000000000,  0.0128241700000000 ]  - [   0.0014751100000000,  0.0000000000000000,  0.0128241700000000 ]  - [   0.0000000000000000, -0.0014751100000000,  0.0128241700000000 ]  - [   0.0012348900000000,  0.0012348900000000,  0.0048801900000000 ]  - [  -0.0012348900000000,  0.0012348900000000,  0.0048801900000000 ]  - [   0.0000000000000000,  0.0014751100000000,  0.0128241700000000 ]  - [   0.0012348900000000, -0.0012348900000000,  0.0048801900000000 ]  - [  -0.0012348900000000, -0.0012348900000000,  0.0048801900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0095710900000000 ]  - [   0.0005895400000000,  0.0000000000000000, -0.0036823900000000 ]  - [  -0.0005895400000000,  0.0000000000000000, -0.0036823900000000 ]  - [   0.0000000000000000,  0.0005895400000000, -0.0036823900000000 ]  - [   0.0003000700000000,  0.0003000700000000, -0.0024515900000000 ]  - [  -0.0003000700000000,  0.0003000700000000, -0.0024515900000000 ]  - [   0.0000000000000000, -0.0005895400000000, -0.0036823900000000 ]  - [   0.0003000700000000, -0.0003000700000000, -0.0024515900000000 ]  - [  -0.0003000700000000, -0.0003000700000000, -0.0024515900000000 ]  - [  -0.0072848900000000,  0.0072848900000000, -0.0095406200000000 ]  - [   0.0072848900000000,  0.0072848900000000, -0.0095406200000000 ]  - [   0.0000000000000000,  0.0004312500000000,  0.0010520500000000 ]  - [  -0.0004312500000000,  0.0000000000000000,  0.0010520500000000 ]  - [   0.0004312500000000,  0.0000000000000000,  0.0010520500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002184800000000 ]  - [  -0.0072848900000000, -0.0072848900000000, -0.0095406200000000 ]  - [   0.0072848900000000, -0.0072848900000000, -0.0095406200000000 ]  - [   0.0000000000000000, -0.0004312500000000,  0.0010520500000000 ]  - [   0.0125959700000000, -0.0125959700000000, -0.0111985100000000 ]  - [  -0.0125959700000000, -0.0125959700000000, -0.0111985100000000 ]  - [   0.0000000000000000, -0.0008656300000000, -0.0011836000000000 ]  - [   0.0008656300000000,  0.0000000000000000, -0.0011836000000000 ]  - [  -0.0008656300000000,  0.0000000000000000, -0.0011836000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003380300000000 ]  - [   0.0125959700000000,  0.0125959700000000, -0.0111985100000000 ]  - [  -0.0125959700000000,  0.0125959700000000, -0.0111985100000000 ]  - [   0.0000000000000000,  0.0008656300000000, -0.0011836000000000 ]