# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d227b974-0a2a-4a24-b750-911722db30f8/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 TmBi2BrO4 / P4/mmm (123) / materials id 546350](https://mdr.nims.go.jp/datasets/7d68fe3d-7e0b-4871-a141-0c3f04edcd3e)

## 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/mmm"  number: 123  Hall_symbol: "-P 4 2"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     3.839414590000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.839414590000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.065790780000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.146918790000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.853081210000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.146918790000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.853081210000000 ]    mass: 15.999400  - symbol: Tm # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210  - symbol: Bi # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.271815340000000 ]    mass: 208.980400  - symbol: Bi # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.728184660000000 ]    mass: 208.980400  - symbol: Br # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 79.904000  reciprocal_lattice: # without 2pi  - [     0.260456373376442,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.260456373376442,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.110304773655939 ] # c*unit_cell:  lattice:  - [     3.839414590000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.839414590000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.065790780000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.146918790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.853081210000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.146918790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.853081210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: Tm # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 5  - symbol: Bi # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.271815340000000 ]    mass: 208.980400    reduced_to: 6  - symbol: Bi # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.728184660000000 ]    mass: 208.980400    reduced_to: 7  - symbol: Br # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 8supercell:  lattice:  - [    11.518243770000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.518243770000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.131581560000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.166666666666667,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.333333333333333,  0.166666666666667,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.666666666666667,  0.166666666666667,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.333333333333333,  0.500000000000000,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.666666666666667,  0.500000000000000,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.000000000000000,  0.833333333333333,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.333333333333333,  0.833333333333333,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.666666666666667,  0.833333333333333,  0.073459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.000000000000000,  0.166666666666667,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.333333333333333,  0.166666666666667,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.666666666666667,  0.166666666666667,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.333333333333333,  0.500000000000000,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 15    coordinates: [  0.666666666666667,  0.500000000000000,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 16    coordinates: [  0.000000000000000,  0.833333333333333,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 17    coordinates: [  0.333333333333333,  0.833333333333333,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.666666666666667,  0.833333333333333,  0.573459395000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.000000000000000,  0.166666666666667,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.333333333333333,  0.166666666666667,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.666666666666667,  0.166666666666667,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 23    coordinates: [  0.333333333333333,  0.500000000000000,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 24    coordinates: [  0.666666666666667,  0.500000000000000,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.833333333333333,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 26    coordinates: [  0.333333333333333,  0.833333333333333,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 27    coordinates: [  0.666666666666667,  0.833333333333333,  0.426540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 28    coordinates: [  0.000000000000000,  0.166666666666667,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 29    coordinates: [  0.333333333333333,  0.166666666666667,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 30    coordinates: [  0.666666666666667,  0.166666666666667,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 31    coordinates: [  0.000000000000000,  0.500000000000000,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 32    coordinates: [  0.333333333333333,  0.500000000000000,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 33    coordinates: [  0.666666666666667,  0.500000000000000,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 34    coordinates: [  0.000000000000000,  0.833333333333333,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 35    coordinates: [  0.333333333333333,  0.833333333333333,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 36    coordinates: [  0.666666666666667,  0.833333333333333,  0.926540605000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 37    coordinates: [  0.166666666666667,  0.000000000000000,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.833333333333333,  0.000000000000000,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.166666666666667,  0.333333333333333,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.500000000000000,  0.333333333333333,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 42    coordinates: [  0.833333333333333,  0.333333333333333,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 43    coordinates: [  0.166666666666667,  0.666666666666667,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 44    coordinates: [  0.500000000000000,  0.666666666666667,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 45    coordinates: [  0.833333333333333,  0.666666666666667,  0.073459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 46    coordinates: [  0.166666666666667,  0.000000000000000,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 47    coordinates: [  0.500000000000000,  0.000000000000000,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 48    coordinates: [  0.833333333333333,  0.000000000000000,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 49    coordinates: [  0.166666666666667,  0.333333333333333,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 50    coordinates: [  0.500000000000000,  0.333333333333333,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 51    coordinates: [  0.833333333333333,  0.333333333333333,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 52    coordinates: [  0.166666666666667,  0.666666666666667,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 53    coordinates: [  0.500000000000000,  0.666666666666667,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 54    coordinates: [  0.833333333333333,  0.666666666666667,  0.573459395000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 55    coordinates: [  0.166666666666667,  0.000000000000000,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.000000000000000,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.833333333333333,  0.000000000000000,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.166666666666667,  0.333333333333333,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 59    coordinates: [  0.500000000000000,  0.333333333333333,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 60    coordinates: [  0.833333333333333,  0.333333333333333,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 61    coordinates: [  0.166666666666667,  0.666666666666667,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 62    coordinates: [  0.500000000000000,  0.666666666666667,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 63    coordinates: [  0.833333333333333,  0.666666666666667,  0.426540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 64    coordinates: [  0.166666666666667,  0.000000000000000,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 65    coordinates: [  0.500000000000000,  0.000000000000000,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 66    coordinates: [  0.833333333333333,  0.000000000000000,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 67    coordinates: [  0.166666666666667,  0.333333333333333,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 68    coordinates: [  0.500000000000000,  0.333333333333333,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 69    coordinates: [  0.833333333333333,  0.333333333333333,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 70    coordinates: [  0.166666666666667,  0.666666666666667,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 71    coordinates: [  0.500000000000000,  0.666666666666667,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 72    coordinates: [  0.833333333333333,  0.666666666666667,  0.926540605000000 ]    mass: 15.999400    reduced_to: 55  - symbol: Tm # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 74    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 75    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 76    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 77    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 78    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 79    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 80    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 81    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 82    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 83    coordinates: [  0.333333333333333,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 84    coordinates: [  0.666666666666667,  0.000000000000000,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 85    coordinates: [  0.000000000000000,  0.333333333333333,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 86    coordinates: [  0.333333333333333,  0.333333333333333,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 87    coordinates: [  0.666666666666667,  0.333333333333333,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 88    coordinates: [  0.000000000000000,  0.666666666666667,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 89    coordinates: [  0.333333333333333,  0.666666666666667,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Tm # 90    coordinates: [  0.666666666666667,  0.666666666666667,  0.500000000000000 ]    mass: 168.934210    reduced_to: 73  - symbol: Bi # 91    coordinates: [  0.166666666666667,  0.166666666666667,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 92    coordinates: [  0.500000000000000,  0.166666666666667,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 93    coordinates: [  0.833333333333333,  0.166666666666667,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 94    coordinates: [  0.166666666666667,  0.500000000000000,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 96    coordinates: [  0.833333333333333,  0.500000000000000,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 97    coordinates: [  0.166666666666667,  0.833333333333333,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 98    coordinates: [  0.500000000000000,  0.833333333333333,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 99    coordinates: [  0.833333333333333,  0.833333333333333,  0.135907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 100    coordinates: [  0.166666666666667,  0.166666666666667,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 101    coordinates: [  0.500000000000000,  0.166666666666667,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 102    coordinates: [  0.833333333333333,  0.166666666666667,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 103    coordinates: [  0.166666666666667,  0.500000000000000,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 105    coordinates: [  0.833333333333333,  0.500000000000000,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 106    coordinates: [  0.166666666666667,  0.833333333333333,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 107    coordinates: [  0.500000000000000,  0.833333333333333,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 108    coordinates: [  0.833333333333333,  0.833333333333333,  0.635907670000000 ]    mass: 208.980400    reduced_to: 91  - symbol: Bi # 109    coordinates: [  0.166666666666667,  0.166666666666667,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 110    coordinates: [  0.500000000000000,  0.166666666666667,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 111    coordinates: [  0.833333333333333,  0.166666666666667,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 112    coordinates: [  0.166666666666667,  0.500000000000000,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 113    coordinates: [  0.500000000000000,  0.500000000000000,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 114    coordinates: [  0.833333333333333,  0.500000000000000,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 115    coordinates: [  0.166666666666667,  0.833333333333333,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 116    coordinates: [  0.500000000000000,  0.833333333333333,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 117    coordinates: [  0.833333333333333,  0.833333333333333,  0.364092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 118    coordinates: [  0.166666666666667,  0.166666666666667,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 119    coordinates: [  0.500000000000000,  0.166666666666667,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 120    coordinates: [  0.833333333333333,  0.166666666666667,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 121    coordinates: [  0.166666666666667,  0.500000000000000,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 122    coordinates: [  0.500000000000000,  0.500000000000000,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 123    coordinates: [  0.833333333333333,  0.500000000000000,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 124    coordinates: [  0.166666666666667,  0.833333333333333,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 125    coordinates: [  0.500000000000000,  0.833333333333333,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Bi # 126    coordinates: [  0.833333333333333,  0.833333333333333,  0.864092330000000 ]    mass: 208.980400    reduced_to: 109  - symbol: Br # 127    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 128    coordinates: [  0.333333333333333,  0.000000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 129    coordinates: [  0.666666666666667,  0.000000000000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 130    coordinates: [  0.000000000000000,  0.333333333333333,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 131    coordinates: [  0.333333333333333,  0.333333333333333,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 132    coordinates: [  0.666666666666667,  0.333333333333333,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 133    coordinates: [  0.000000000000000,  0.666666666666667,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 134    coordinates: [  0.333333333333333,  0.666666666666667,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 135    coordinates: [  0.666666666666667,  0.666666666666667,  0.250000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 136    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 137    coordinates: [  0.333333333333333,  0.000000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 138    coordinates: [  0.666666666666667,  0.000000000000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 139    coordinates: [  0.000000000000000,  0.333333333333333,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 140    coordinates: [  0.333333333333333,  0.333333333333333,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 141    coordinates: [  0.666666666666667,  0.333333333333333,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 142    coordinates: [  0.000000000000000,  0.666666666666667,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 143    coordinates: [  0.333333333333333,  0.666666666666667,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127  - symbol: Br # 144    coordinates: [  0.666666666666667,  0.666666666666667,  0.750000000000000 ]    mass: 79.904000    reduced_to: 127born_effective_charge:- # 1 (O)  - [ -3.814810530000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.140957660000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.264862150000000 ]- # 2 (O)  - [ -3.814810530000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.140957660000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.264862150000000 ]- # 3 (O)  - [ -2.140957660000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.814810530000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.264862150000000 ]- # 4 (O)  - [ -2.140957660000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.814810530000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.264862150000000 ]- # 5 (Tm)  - [  3.689040540000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.689040540000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.427095910000000 ]- # 6 (Bi)  - [  5.091895160000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.091895160000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.726330780000000 ]- # 7 (Bi)  - [  5.091895160000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  5.091895160000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.726330780000000 ]- # 8 (Br)  - [ -1.961294460000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.961294460000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.820308870000000 ]dielectric_constant:  - [  6.450674070000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  6.450674070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.739778820000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1242949500000000,  0.0000000000000000,  0.0000212800000000 ]  - [   0.0088870900000000,  0.0000000000000000, -0.0041383100000000 ]  - [   0.0089040700000000,  0.0000000000000000,  0.0077500100000000 ]  - [  -0.0043834300000000, -0.0000076000000000,  0.0017973300000000 ]  - [   0.0035286300000000,  0.0017772900000000,  0.0024785300000000 ]  - [   0.0035172300000000, -0.0017749900000000,  0.0011316400000000 ]  - [  -0.0043834300000000,  0.0000076000000000,  0.0017973300000000 ]  - [   0.0035286300000000, -0.0017772900000000,  0.0024785300000000 ]  - [   0.0035172300000000,  0.0017749900000000,  0.0011316400000000 ]  - [  -0.0000025200000000,  0.0000000000000000,  0.0018113700000000 ]  - [   0.0000014200000000,  0.0000000000000000,  0.0018648500000000 ]  - [   0.0000009900000000,  0.0000000000000000,  0.0017557800000000 ]  - [  -0.0000215700000000,  0.0000001000000000,  0.0018126000000000 ]  - [   0.0000052400000000, -0.0000011600000000,  0.0018262400000000 ]  - [   0.0000047400000000,  0.0000011200000000,  0.0017945200000000 ]  - [  -0.0000215700000000, -0.0000001000000000,  0.0018126000000000 ]  - [   0.0000052400000000,  0.0000011600000000,  0.0018262400000000 ]  - [   0.0000047400000000, -0.0000011200000000,  0.0017945200000000 ]  - [  -0.0009171500000000,  0.0000000000000000, -0.0018090000000000 ]  - [   0.0004828600000000,  0.0000000000000000, -0.0016940200000000 ]  - [   0.0004828800000000,  0.0000000000000000, -0.0019186500000000 ]  - [  -0.0005144100000000,  0.0000001700000000, -0.0018087700000000 ]  - [   0.0003550000000000,  0.0001615900000000, -0.0018548500000000 ]  - [   0.0003564600000000, -0.0001600800000000, -0.0017522000000000 ]  - [  -0.0005144100000000, -0.0000001700000000, -0.0018087700000000 ]  - [   0.0003550000000000, -0.0001615900000000, -0.0018548500000000 ]  - [   0.0003564600000000,  0.0001600800000000, -0.0017522000000000 ]  - [  -0.0078907800000000,  0.0000000000000000, -0.0017130900000000 ]  - [   0.0002937600000000,  0.0000000000000000, -0.0040170900000000 ]  - [   0.0003053100000000,  0.0000000000000000,  0.0003942500000000 ]  - [  -0.0002214600000000, -0.0000318500000000, -0.0017853300000000 ]  - [   0.0003690600000000,  0.0003643200000000, -0.0026466700000000 ]  - [   0.0003754000000000, -0.0003681300000000, -0.0009792800000000 ]  - [  -0.0002214600000000,  0.0000318500000000, -0.0017853300000000 ]  - [   0.0003690600000000, -0.0003643200000000, -0.0026466700000000 ]  - [   0.0003754000000000,  0.0003681300000000, -0.0009792800000000 ]  - [   0.0087332600000000, -0.0191938800000000,  0.0031422700000000 ]  - [   0.0025244100000000, -0.0000008900000000,  0.0018034300000000 ]  - [   0.0086839300000000,  0.0189646400000000,  0.0004876400000000 ]  - [   0.0087332600000000,  0.0191938800000000,  0.0031422700000000 ]  - [   0.0025244100000000,  0.0000008900000000,  0.0018034300000000 ]  - [   0.0086839300000000, -0.0189646400000000,  0.0004876400000000 ]  - [  -0.0005761900000000,  0.0000000000000000, -0.0000526700000000 ]  - [   0.0015266200000000,  0.0000000000000000,  0.0018063600000000 ]  - [  -0.0005702800000000,  0.0000000000000000,  0.0036621200000000 ]  - [  -0.0000222700000000,  0.0000111400000000,  0.0018511900000000 ]  - [   0.0000436200000000,  0.0000000600000000,  0.0018113600000000 ]  - [  -0.0000215100000000, -0.0000109100000000,  0.0017690700000000 ]  - [  -0.0000222700000000, -0.0000111400000000,  0.0018511900000000 ]  - [   0.0000436200000000, -0.0000000600000000,  0.0018113600000000 ]  - [  -0.0000215100000000,  0.0000109100000000,  0.0017690700000000 ]  - [  -0.0000197000000000,  0.0000000000000000,  0.0018248200000000 ]  - [   0.0000422800000000,  0.0000000000000000,  0.0018093900000000 ]  - [  -0.0000203000000000,  0.0000000000000000,  0.0017989800000000 ]  - [  -0.0001354900000000, -0.0002487300000000, -0.0015198400000000 ]  - [   0.0003341800000000,  0.0000003800000000, -0.0018048900000000 ]  - [  -0.0001321600000000,  0.0002486400000000, -0.0020906700000000 ]  - [  -0.0001354900000000,  0.0002487300000000, -0.0015198400000000 ]  - [   0.0003341800000000, -0.0000003800000000, -0.0018048900000000 ]  - [  -0.0001321600000000, -0.0002486400000000, -0.0020906700000000 ]  - [  -0.0000162600000000,  0.0000000000000000, -0.0016398000000000 ]  - [  -0.0000136700000000,  0.0000000000000000, -0.0018025100000000 ]  - [  -0.0000147800000000,  0.0000000000000000, -0.0019739900000000 ]  - [  -0.0007430900000000, -0.0004148600000000, -0.0031409000000000 ]  - [   0.0015940900000000,  0.0000004200000000, -0.0018083100000000 ]  - [  -0.0007238300000000,  0.0004180200000000, -0.0004761600000000 ]  - [  -0.0007430900000000,  0.0004148600000000, -0.0031409000000000 ]  - [   0.0015940900000000, -0.0000004200000000, -0.0018083100000000 ]  - [  -0.0007238300000000, -0.0004180200000000, -0.0004761600000000 ]  - [  -0.0002796800000000,  0.0000000000000000, -0.0019367500000000 ]  - [   0.0006304100000000,  0.0000000000000000, -0.0018082600000000 ]  - [  -0.0002701400000000,  0.0000000000000000, -0.0016811900000000 ]  - [   0.0130930300000000, -0.0000381600000000, -0.0000107900000000 ]  - [  -0.0041979300000000,  0.0017361800000000,  0.0041910100000000 ]  - [  -0.0041959800000000, -0.0017474100000000, -0.0041723600000000 ]  - [   0.0130930300000000,  0.0000381600000000, -0.0000107900000000 ]  - [  -0.0041979300000000, -0.0017361800000000,  0.0041910100000000 ]  - [  -0.0041959800000000,  0.0017474100000000, -0.0041723600000000 ]  - [   0.0017752500000000,  0.0000000000000000,  0.0000202100000000 ]  - [  -0.0008626300000000,  0.0000000000000000,  0.0010423300000000 ]  - [  -0.0008673400000000,  0.0000000000000000, -0.0010220100000000 ]  - [   0.0002166600000000,  0.0000015100000000, -0.0000102100000000 ]  - [  -0.0001007400000000,  0.0000858200000000, -0.0002042200000000 ]  - [  -0.0001121900000000, -0.0000803200000000,  0.0001872900000000 ]  - [   0.0002166600000000, -0.0000015100000000, -0.0000102100000000 ]  - [  -0.0001007400000000, -0.0000858200000000, -0.0002042200000000 ]  - [  -0.0001121900000000,  0.0000803200000000,  0.0001872900000000 ]  - [   0.0000851600000000,  0.0000000000000000, -0.0000077400000000 ]  - [  -0.0000396300000000,  0.0000000000000000, -0.0000590900000000 ]  - [  -0.0000376800000000,  0.0000000000000000,  0.0000486700000000 ]  - [   0.0309290300000000,  0.0000000000000000,  0.0203222700000000 ]  - [  -0.0110681700000000,  0.0000000000000000, -0.0046524700000000 ]  - [   0.0284919200000000,  0.0000000000000000, -0.0280117800000000 ]  - [   0.0024622300000000, -0.0067346000000000, -0.0069815300000000 ]  - [  -0.0039897800000000, -0.0000003400000000, -0.0046551200000000 ]  - [   0.0024506600000000,  0.0067315300000000, -0.0023369300000000 ]  - [   0.0024622300000000,  0.0067346000000000, -0.0069815300000000 ]  - [  -0.0039897800000000,  0.0000003400000000, -0.0046551200000000 ]  - [   0.0024506600000000, -0.0067315300000000, -0.0023369300000000 ]  - [   0.0000382600000000,  0.0000000000000000, -0.0046638900000000 ]  - [  -0.0000799400000000,  0.0000000000000000, -0.0046626400000000 ]  - [   0.0000379500000000,  0.0000000000000000, -0.0046614300000000 ]  - [   0.0000392700000000,  0.0000007300000000, -0.0046401600000000 ]  - [  -0.0000704600000000, -0.0000003500000000, -0.0046629600000000 ]  - [   0.0000391400000000,  0.0000017500000000, -0.0046841800000000 ]  - [   0.0000392700000000, -0.0000007300000000, -0.0046401600000000 ]  - [  -0.0000704600000000,  0.0000003500000000, -0.0046629600000000 ]  - [   0.0000391400000000, -0.0000017500000000, -0.0046841800000000 ]  - [   0.0010091200000000,  0.0000000000000000,  0.0028283200000000 ]  - [  -0.0020155900000000,  0.0000000000000000,  0.0046564200000000 ]  - [   0.0010053400000000,  0.0000000000000000,  0.0064806500000000 ]  - [   0.0007418100000000, -0.0003020400000000,  0.0041185900000000 ]  - [  -0.0016996100000000, -0.0000034400000000,  0.0046553300000000 ]  - [   0.0007413600000000,  0.0003034400000000,  0.0051967300000000 ]  - [   0.0007418100000000,  0.0003020400000000,  0.0041185900000000 ]  - [  -0.0016996100000000,  0.0000034400000000,  0.0046553300000000 ]  - [   0.0007413600000000, -0.0003034400000000,  0.0051967300000000 ]  - [   0.0011629800000000,  0.0000000000000000,  0.0065656900000000 ]  - [  -0.0015171800000000,  0.0000000000000000,  0.0046584200000000 ]  - [   0.0011194500000000,  0.0000000000000000,  0.0027575900000000 ]  - [   0.0004702600000000, -0.0004378200000000,  0.0049918400000000 ]  - [  -0.0009133700000000,  0.0000005200000000,  0.0046597000000000 ]  - [   0.0004487300000000,  0.0004389100000000,  0.0043209400000000 ]  - [   0.0004702600000000,  0.0004378200000000,  0.0049918400000000 ]  - [  -0.0009133700000000, -0.0000005200000000,  0.0046597000000000 ]  - [   0.0004487300000000, -0.0004389100000000,  0.0043209400000000 ]  - [  -0.0020146800000000, -0.0000033800000000, -0.0000014800000000 ]  - [   0.0026318300000000, -0.0023423600000000,  0.0023825900000000 ]  - [   0.0026225400000000,  0.0023320400000000, -0.0023723300000000 ]  - [  -0.0020146800000000,  0.0000033800000000, -0.0000014800000000 ]  - [   0.0026318300000000,  0.0023423600000000,  0.0023825900000000 ]  - [   0.0026225400000000, -0.0023320400000000, -0.0023723300000000 ]  - [  -0.0014779800000000,  0.0000000000000000,  0.0000015700000000 ]  - [   0.0007467500000000,  0.0000000000000000,  0.0005302200000000 ]  - [   0.0007455500000000,  0.0000000000000000, -0.0005282400000000 ]  - [  -0.0001778800000000,  0.0000008200000000,  0.0000033900000000 ]  - [   0.0000354800000000,  0.0000649100000000,  0.0000006500000000 ]  - [   0.0000378200000000, -0.0000634800000000,  0.0000048900000000 ]  - [  -0.0001778800000000, -0.0000008200000000,  0.0000033900000000 ]  - [   0.0000354800000000, -0.0000649100000000,  0.0000006500000000 ]  - [   0.0000378200000000,  0.0000634800000000,  0.0000048900000000 ]  - [  -0.0001892800000000,  0.0000000000000000,  0.0000028700000000 ]  - [   0.0001037500000000,  0.0000000000000000, -0.0000843100000000 ]  - [   0.0001051400000000,  0.0000000000000000,  0.0000873600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0865540800000000,  0.0028341900000000 ]  - [  -0.0000231600000000, -0.0011200800000000,  0.0018365700000000 ]  - [   0.0000231600000000, -0.0011200800000000,  0.0018365700000000 ]  - [   0.0000000000000000,  0.0034708100000000,  0.0030430200000000 ]  - [   0.0017806700000000,  0.0015329000000000,  0.0016562200000000 ]  - [  -0.0017806700000000,  0.0015329000000000,  0.0016562200000000 ]  - [   0.0000000000000000,  0.0034496100000000,  0.0005852400000000 ]  - [  -0.0017719400000000,  0.0015308000000000,  0.0019541600000000 ]  - [   0.0017719400000000,  0.0015308000000000,  0.0019541600000000 ]  - [   0.0000000000000000, -0.0000381900000000,  0.0017984600000000 ]  - [   0.0000005700000000, -0.0000246700000000,  0.0017990000000000 ]  - [  -0.0000005700000000, -0.0000246700000000,  0.0017990000000000 ]  - [   0.0000000000000000,  0.0000208400000000,  0.0018070400000000 ]  - [   0.0000004300000000,  0.0000131300000000,  0.0018016700000000 ]  - [  -0.0000004300000000,  0.0000131300000000,  0.0018016700000000 ]  - [   0.0000000000000000,  0.0000238400000000,  0.0017978200000000 ]  - [   0.0000011600000000,  0.0000143100000000,  0.0017975800000000 ]  - [  -0.0000011600000000,  0.0000143100000000,  0.0017975800000000 ]  - [   0.0000000000000000, -0.0002083400000000, -0.0018078300000000 ]  - [   0.0000009700000000, -0.0000291700000000, -0.0018061400000000 ]  - [  -0.0000009700000000, -0.0000291700000000, -0.0018061400000000 ]  - [   0.0000000000000000,  0.0001357900000000, -0.0016632000000000 ]  - [   0.0001625000000000,  0.0000072400000000, -0.0017447500000000 ]  - [  -0.0001625000000000,  0.0000072400000000, -0.0017447500000000 ]  - [   0.0000000000000000,  0.0001367200000000, -0.0019514600000000 ]  - [  -0.0001574600000000,  0.0000064900000000, -0.0018603000000000 ]  - [   0.0001574600000000,  0.0000064900000000, -0.0018603000000000 ]  - [   0.0000000000000000, -0.0060896200000000, -0.0017784600000000 ]  - [   0.0000037400000000, -0.0010916400000000, -0.0017937000000000 ]  - [  -0.0000037400000000, -0.0010916400000000, -0.0017937000000000 ]  - [   0.0000000000000000,  0.0071399800000000, -0.0068570200000000 ]  - [   0.0003690500000000,  0.0005630900000000, -0.0017734000000000 ]  - [  -0.0003690500000000,  0.0005630900000000, -0.0017734000000000 ]  - [   0.0000000000000000,  0.0070658400000000,  0.0032083600000000 ]  - [  -0.0003634200000000,  0.0005675000000000, -0.0018347500000000 ]  - [   0.0003634200000000,  0.0005675000000000, -0.0018347500000000 ]  - [  -0.0148239800000000,  0.0086724900000000, -0.0004942100000000 ]  - [   0.0000000000000000, -0.0005635500000000,  0.0013040500000000 ]  - [   0.0148239800000000,  0.0086724900000000, -0.0004942100000000 ]  - [   0.0150158800000000,  0.0087440800000000,  0.0040947100000000 ]  - [   0.0000000000000000, -0.0005821600000000,  0.0023116600000000 ]  - [  -0.0150158800000000,  0.0087440800000000,  0.0040947100000000 ]  - [   0.0000004900000000,  0.0025248500000000,  0.0018087300000000 ]  - [   0.0000000000000000,  0.0015253700000000,  0.0018126000000000 ]  - [  -0.0000004900000000,  0.0025248500000000,  0.0018087300000000 ]  - [  -0.0000069500000000, -0.0000219000000000,  0.0017763200000000 ]  - [   0.0000000000000000, -0.0000207900000000,  0.0017792200000000 ]  - [   0.0000069500000000, -0.0000219000000000,  0.0017763200000000 ]  - [   0.0000066900000000, -0.0000219400000000,  0.0018213000000000 ]  - [   0.0000000000000000, -0.0000203600000000,  0.0018224000000000 ]  - [  -0.0000066900000000, -0.0000219400000000,  0.0018213000000000 ]  - [   0.0000014500000000,  0.0000431800000000,  0.0018023000000000 ]  - [   0.0000000000000000,  0.0000427200000000,  0.0017974400000000 ]  - [  -0.0000014500000000,  0.0000431800000000,  0.0018023000000000 ]  - [  -0.0001051100000000, -0.0001322800000000, -0.0018517100000000 ]  - [   0.0000000000000000, -0.0000150400000000, -0.0017598200000000 ]  - [   0.0001051100000000, -0.0001322800000000, -0.0018517100000000 ]  - [   0.0001028700000000, -0.0001349400000000, -0.0017551800000000 ]  - [   0.0000000000000000, -0.0000168300000000, -0.0018517100000000 ]  - [  -0.0001028700000000, -0.0001349400000000, -0.0017551800000000 ]  - [   0.0000002800000000,  0.0003342300000000, -0.0018059900000000 ]  - [   0.0000000000000000, -0.0000126900000000, -0.0018033900000000 ]  - [  -0.0000002800000000,  0.0003342300000000, -0.0018059900000000 ]  - [  -0.0019925900000000, -0.0007331400000000,  0.0006614200000000 ]  - [   0.0000000000000000, -0.0002748800000000, -0.0009078800000000 ]  - [   0.0019925900000000, -0.0007331400000000,  0.0006614200000000 ]  - [   0.0020197300000000, -0.0007350700000000, -0.0042753600000000 ]  - [   0.0000000000000000, -0.0002756400000000, -0.0026962900000000 ]  - [  -0.0020197300000000, -0.0007350700000000, -0.0042753600000000 ]  - [   0.0000041500000000,  0.0015958600000000, -0.0017990000000000 ]  - [   0.0000000000000000,  0.0006314400000000, -0.0018021500000000 ]  - [  -0.0000041500000000,  0.0015958600000000, -0.0017990000000000 ]  - [   0.0000000000000000,  0.0109139400000000, -0.0009875200000000 ]  - [   0.0027057300000000,  0.0008318600000000, -0.0016477900000000 ]  - [  -0.0027057300000000,  0.0008318600000000, -0.0016477900000000 ]  - [   0.0000000000000000,  0.0119276600000000,  0.0001152200000000 ]  - [  -0.0027249600000000,  0.0008593100000000,  0.0016180700000000 ]  - [   0.0027249600000000,  0.0008593100000000,  0.0016180700000000 ]  - [   0.0000000000000000, -0.0043262200000000,  0.0000045500000000 ]  - [  -0.0000016100000000, -0.0015716600000000, -0.0000020100000000 ]  - [   0.0000016100000000, -0.0015716600000000, -0.0000020100000000 ]  - [   0.0000000000000000,  0.0000631300000000,  0.0001193300000000 ]  - [   0.0000430500000000,  0.0000301500000000,  0.0000268600000000 ]  - [  -0.0000430500000000,  0.0000301500000000,  0.0000268600000000 ]  - [   0.0000000000000000,  0.0000620200000000, -0.0001210700000000 ]  - [  -0.0000298600000000,  0.0000257400000000, -0.0000167400000000 ]  - [   0.0000298600000000,  0.0000257400000000, -0.0000167400000000 ]  - [   0.0000000000000000, -0.0001250900000000,  0.0000003500000000 ]  - [  -0.0000024700000000, -0.0000547100000000,  0.0000067000000000 ]  - [   0.0000024700000000, -0.0000547100000000,  0.0000067000000000 ]  - [  -0.0000307000000000,  0.0138619900000000, -0.0047667400000000 ]  - [   0.0000000000000000,  0.0009537700000000, -0.0046557200000000 ]  - [   0.0000307000000000,  0.0138619900000000, -0.0047667400000000 ]  - [  -0.0012436800000000, -0.0052213800000000, -0.0066329800000000 ]  - [   0.0000000000000000, -0.0004478900000000, -0.0053426300000000 ]  - [   0.0012436800000000, -0.0052213800000000, -0.0066329800000000 ]  - [   0.0012229400000000, -0.0052246600000000, -0.0026963600000000 ]  - [   0.0000000000000000, -0.0004590100000000, -0.0039841300000000 ]  - [  -0.0012229400000000, -0.0052246600000000, -0.0026963600000000 ]  - [  -0.0000007800000000,  0.0001462300000000, -0.0046588400000000 ]  - [   0.0000000000000000,  0.0001485500000000, -0.0046594300000000 ]  - [   0.0000007800000000,  0.0001462300000000, -0.0046588400000000 ]  - [   0.0000020500000000, -0.0000754300000000, -0.0045863400000000 ]  - [   0.0000000000000000, -0.0000765900000000, -0.0046294100000000 ]  - [  -0.0000020500000000, -0.0000754300000000, -0.0045863400000000 ]  - [  -0.0000041100000000, -0.0000769600000000, -0.0047306200000000 ]  - [   0.0000000000000000, -0.0000750300000000, -0.0046898000000000 ]  - [   0.0000041100000000, -0.0000769600000000, -0.0047306200000000 ]  - [  -0.0000030400000000,  0.0006985100000000,  0.0046672400000000 ]  - [   0.0000000000000000,  0.0001139700000000,  0.0046664900000000 ]  - [   0.0000030400000000,  0.0006985100000000,  0.0046672400000000 ]  - [  -0.0003652500000000, -0.0003933600000000,  0.0042510700000000 ]  - [   0.0000000000000000, -0.0000325500000000,  0.0047820200000000 ]  - [   0.0003652500000000, -0.0003933600000000,  0.0042510700000000 ]  - [   0.0003570800000000, -0.0003984100000000,  0.0050745300000000 ]  - [   0.0000000000000000, -0.0000369900000000,  0.0045510900000000 ]  - [  -0.0003570800000000, -0.0003984100000000,  0.0050745300000000 ]  - [  -0.0000055200000000,  0.0028018100000000,  0.0046667300000000 ]  - [   0.0000000000000000,  0.0009464900000000,  0.0046607800000000 ]  - [   0.0000055200000000,  0.0028018100000000,  0.0046667300000000 ]  - [  -0.0018508700000000, -0.0013051400000000,  0.0055802500000000 ]  - [   0.0000000000000000, -0.0004602800000000,  0.0049466600000000 ]  - [   0.0018508700000000, -0.0013051400000000,  0.0055802500000000 ]  - [   0.0018331700000000, -0.0012964900000000,  0.0037532700000000 ]  - [   0.0000000000000000, -0.0004608500000000,  0.0043768100000000 ]  - [  -0.0018331700000000, -0.0012964900000000,  0.0037532700000000 ]  - [   0.0000000000000000,  0.0003550700000000, -0.0017084600000000 ]  - [   0.0001578700000000, -0.0004046300000000,  0.0000620100000000 ]  - [  -0.0001578700000000, -0.0004046300000000,  0.0000620100000000 ]  - [   0.0000000000000000,  0.0003553500000000,  0.0017191200000000 ]  - [  -0.0001662000000000, -0.0004199800000000, -0.0000724700000000 ]  - [   0.0001662000000000, -0.0004199800000000, -0.0000724700000000 ]  - [   0.0000000000000000,  0.0008003900000000,  0.0000018500000000 ]  - [   0.0000014700000000,  0.0004905900000000,  0.0000023700000000 ]  - [  -0.0000014700000000,  0.0004905900000000,  0.0000023700000000 ]  - [   0.0000000000000000, -0.0001586300000000,  0.0000740300000000 ]  - [  -0.0000515500000000, -0.0001280000000000,  0.0001277800000000 ]  - [   0.0000515500000000, -0.0001280000000000,  0.0001277800000000 ]  - [   0.0000000000000000, -0.0001578200000000, -0.0000791000000000 ]  - [   0.0000531500000000, -0.0001279500000000, -0.0001305100000000 ]  - [  -0.0000531500000000, -0.0001279500000000, -0.0001305100000000 ]  - [   0.0000000000000000,  0.0003744800000000, -0.0000020000000000 ]  - [   0.0000008700000000,  0.0002628900000000, -0.0000016100000000 ]  - [  -0.0000008700000000,  0.0002628900000000, -0.0000016100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0895351100000000 ]  - [   0.0059733900000000,  0.0000000000000000, -0.0064485600000000 ]  - [  -0.0059733900000000,  0.0000000000000000, -0.0064485600000000 ]  - [   0.0000000000000000, -0.0012303300000000, -0.0006944500000000 ]  - [  -0.0006788600000000,  0.0001492800000000,  0.0012117500000000 ]  - [   0.0006788600000000,  0.0001492800000000,  0.0012117500000000 ]  - [   0.0000000000000000,  0.0012303300000000, -0.0006944500000000 ]  - [  -0.0006788600000000, -0.0001492800000000,  0.0012117500000000 ]  - [   0.0006788600000000, -0.0001492800000000,  0.0012117500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025412200000000 ]  - [  -0.0000531100000000,  0.0000000000000000,  0.0025224300000000 ]  - [   0.0000531100000000,  0.0000000000000000,  0.0025224300000000 ]  - [   0.0000000000000000, -0.0000054000000000,  0.0024862600000000 ]  - [  -0.0000160400000000, -0.0000014100000000,  0.0025115900000000 ]  - [   0.0000160400000000, -0.0000014100000000,  0.0025115900000000 ]  - [   0.0000000000000000,  0.0000054000000000,  0.0024862600000000 ]  - [  -0.0000160400000000,  0.0000014100000000,  0.0025115900000000 ]  - [   0.0000160400000000,  0.0000014100000000,  0.0025115900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009630500000000 ]  - [   0.0001141700000000,  0.0000000000000000, -0.0010315000000000 ]  - [  -0.0001141700000000,  0.0000000000000000, -0.0010315000000000 ]  - [   0.0000000000000000,  0.0001445600000000, -0.0011809800000000 ]  - [  -0.0000473800000000,  0.0000601600000000, -0.0010949500000000 ]  - [   0.0000473800000000,  0.0000601600000000, -0.0010949500000000 ]  - [   0.0000000000000000, -0.0001445600000000, -0.0011809800000000 ]  - [  -0.0000473800000000, -0.0000601600000000, -0.0010949500000000 ]  - [   0.0000473800000000, -0.0000601600000000, -0.0010949500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0255720700000000 ]  - [  -0.0021985500000000,  0.0000000000000000, -0.0042795200000000 ]  - [   0.0021985500000000,  0.0000000000000000, -0.0042795200000000 ]  - [   0.0000000000000000, -0.0050260500000000,  0.0021971800000000 ]  - [  -0.0008305400000000,  0.0000311700000000, -0.0026300500000000 ]  - [   0.0008305400000000,  0.0000311700000000, -0.0026300500000000 ]  - [   0.0000000000000000,  0.0050260500000000,  0.0021971800000000 ]  - [  -0.0008305400000000, -0.0000311700000000, -0.0026300500000000 ]  - [   0.0008305400000000, -0.0000311700000000, -0.0026300500000000 ]  - [  -0.0023382500000000,  0.0013673800000000, -0.0042183800000000 ]  - [   0.0000000000000000, -0.0018632000000000,  0.0011339300000000 ]  - [   0.0023382500000000,  0.0013673800000000, -0.0042183800000000 ]  - [  -0.0023382500000000, -0.0013673800000000, -0.0042183800000000 ]  - [   0.0000000000000000,  0.0018632000000000,  0.0011339300000000 ]  - [   0.0023382500000000, -0.0013673800000000, -0.0042183800000000 ]  - [  -0.0005056000000000,  0.0000000000000000,  0.0011361300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007169900000000 ]  - [   0.0005056000000000,  0.0000000000000000,  0.0011361300000000 ]  - [  -0.0000212200000000,  0.0000393800000000,  0.0025240800000000 ]  - [   0.0000000000000000,  0.0000166700000000,  0.0024934400000000 ]  - [   0.0000212200000000,  0.0000393800000000,  0.0025240800000000 ]  - [  -0.0000212200000000, -0.0000393800000000,  0.0025240800000000 ]  - [   0.0000000000000000, -0.0000166700000000,  0.0024934400000000 ]  - [   0.0000212200000000, -0.0000393800000000,  0.0025240800000000 ]  - [  -0.0000177400000000,  0.0000000000000000,  0.0024941300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025155800000000 ]  - [   0.0000177400000000,  0.0000000000000000,  0.0024941300000000 ]  - [   0.0000458900000000, -0.0002854100000000, -0.0010794700000000 ]  - [   0.0000000000000000, -0.0001691000000000, -0.0011356300000000 ]  - [  -0.0000458900000000, -0.0002854100000000, -0.0010794700000000 ]  - [   0.0000458900000000,  0.0002854100000000, -0.0010794700000000 ]  - [   0.0000000000000000,  0.0001691000000000, -0.0011356300000000 ]  - [  -0.0000458900000000,  0.0002854100000000, -0.0010794700000000 ]  - [  -0.0000454600000000,  0.0000000000000000, -0.0011349400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009845000000000 ]  - [   0.0000454600000000,  0.0000000000000000, -0.0011349400000000 ]  - [  -0.0024627200000000,  0.0013271600000000, -0.0013370900000000 ]  - [   0.0000000000000000,  0.0001229900000000, -0.0025223800000000 ]  - [   0.0024627200000000,  0.0013271600000000, -0.0013370900000000 ]  - [  -0.0024627200000000, -0.0013271600000000, -0.0013370900000000 ]  - [   0.0000000000000000, -0.0001229900000000, -0.0025223800000000 ]  - [   0.0024627200000000, -0.0013271600000000, -0.0013370900000000 ]  - [  -0.0008918100000000,  0.0000000000000000, -0.0025194300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021531900000000 ]  - [   0.0008918100000000,  0.0000000000000000, -0.0025194300000000 ]  - [   0.0000000000000000, -0.0031628000000000,  0.0085655500000000 ]  - [   0.0017288100000000,  0.0014387300000000,  0.0036946700000000 ]  - [  -0.0017288100000000,  0.0014387300000000,  0.0036946700000000 ]  - [   0.0000000000000000,  0.0031628000000000,  0.0085655500000000 ]  - [   0.0017288100000000, -0.0014387300000000,  0.0036946700000000 ]  - [  -0.0017288100000000, -0.0014387300000000,  0.0036946700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025852900000000 ]  - [   0.0006101400000000,  0.0000000000000000,  0.0017202700000000 ]  - [  -0.0006101400000000,  0.0000000000000000,  0.0017202700000000 ]  - [   0.0000000000000000,  0.0000672300000000, -0.0017450300000000 ]  - [  -0.0000067000000000,  0.0000176100000000, -0.0016864000000000 ]  - [   0.0000067000000000,  0.0000176100000000, -0.0016864000000000 ]  - [   0.0000000000000000, -0.0000672300000000, -0.0017450300000000 ]  - [  -0.0000067000000000, -0.0000176100000000, -0.0016864000000000 ]  - [   0.0000067000000000, -0.0000176100000000, -0.0016864000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015539600000000 ]  - [   0.0000538000000000,  0.0000000000000000, -0.0016188500000000 ]  - [  -0.0000538000000000,  0.0000000000000000, -0.0016188500000000 ]  - [   0.0232025900000000,  0.0000000000000000,  0.0321555200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057757300000000 ]  - [  -0.0232025900000000,  0.0000000000000000,  0.0321555200000000 ]  - [   0.0006820300000000, -0.0004985500000000, -0.0034010100000000 ]  - [   0.0000000000000000, -0.0011604400000000, -0.0038140200000000 ]  - [  -0.0006820300000000, -0.0004985500000000, -0.0034010100000000 ]  - [   0.0006820300000000,  0.0004985500000000, -0.0034010100000000 ]  - [   0.0000000000000000,  0.0011604400000000, -0.0038140200000000 ]  - [  -0.0006820300000000,  0.0004985500000000, -0.0034010100000000 ]  - [   0.0001218100000000,  0.0000000000000000, -0.0056442400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0054472800000000 ]  - [  -0.0001218100000000,  0.0000000000000000, -0.0056442400000000 ]  - [   0.0001223400000000,  0.0000779300000000, -0.0055065000000000 ]  - [   0.0000000000000000,  0.0000929100000000, -0.0054448800000000 ]  - [  -0.0001223400000000,  0.0000779300000000, -0.0055065000000000 ]  - [   0.0001223400000000, -0.0000779300000000, -0.0055065000000000 ]  - [   0.0000000000000000, -0.0000929100000000, -0.0054448800000000 ]  - [  -0.0001223400000000, -0.0000779300000000, -0.0055065000000000 ]  - [  -0.0001867000000000,  0.0000000000000000,  0.0031327400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0037112200000000 ]  - [   0.0001867000000000,  0.0000000000000000,  0.0031327400000000 ]  - [  -0.0000382900000000, -0.0007458700000000,  0.0040926500000000 ]  - [   0.0000000000000000, -0.0006518400000000,  0.0038755200000000 ]  - [   0.0000382900000000, -0.0007458700000000,  0.0040926500000000 ]  - [  -0.0000382900000000,  0.0007458700000000,  0.0040926500000000 ]  - [   0.0000000000000000,  0.0006518400000000,  0.0038755200000000 ]  - [   0.0000382900000000,  0.0007458700000000,  0.0040926500000000 ]  - [   0.0067142700000000,  0.0000000000000000,  0.0030228900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046567600000000 ]  - [  -0.0067142700000000,  0.0000000000000000,  0.0030228900000000 ]  - [   0.0019175200000000,  0.0009840500000000,  0.0038036900000000 ]  - [   0.0000000000000000, -0.0000411800000000,  0.0046516500000000 ]  - [  -0.0019175200000000,  0.0009840500000000,  0.0038036900000000 ]  - [   0.0019175200000000, -0.0009840500000000,  0.0038036900000000 ]  - [   0.0000000000000000,  0.0000411800000000,  0.0046516500000000 ]  - [  -0.0019175200000000, -0.0009840500000000,  0.0038036900000000 ]  - [   0.0000000000000000, -0.0012774500000000,  0.0015818500000000 ]  - [   0.0009373100000000, -0.0014593900000000,  0.0011607800000000 ]  - [  -0.0009373100000000, -0.0014593900000000,  0.0011607800000000 ]  - [   0.0000000000000000,  0.0012774500000000,  0.0015818500000000 ]  - [   0.0009373100000000,  0.0014593900000000,  0.0011607800000000 ]  - [  -0.0009373100000000,  0.0014593900000000,  0.0011607800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005029200000000 ]  - [  -0.0002142500000000,  0.0000000000000000, -0.0003036400000000 ]  - [   0.0002142500000000,  0.0000000000000000, -0.0003036400000000 ]  - [   0.0000000000000000,  0.0001772600000000,  0.0007210600000000 ]  - [  -0.0003725200000000,  0.0002199500000000,  0.0005795400000000 ]  - [   0.0003725200000000,  0.0002199500000000,  0.0005795400000000 ]  - [   0.0000000000000000, -0.0001772600000000,  0.0007210600000000 ]  - [  -0.0003725200000000, -0.0002199500000000,  0.0005795400000000 ]  - [   0.0003725200000000, -0.0002199500000000,  0.0005795400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006355600000000 ]  - [  -0.0002110200000000,  0.0000000000000000,  0.0003682200000000 ]  - [   0.0002110200000000,  0.0000000000000000,  0.0003682200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0934530700000000 ]  - [  -0.0059163200000000,  0.0000000000000000,  0.0100179100000000 ]  - [   0.0059163200000000,  0.0000000000000000,  0.0100179100000000 ]  - [   0.0000000000000000,  0.0012276900000000,  0.0043127800000000 ]  - [   0.0006669300000000, -0.0001558000000000,  0.0024015800000000 ]  - [  -0.0006669300000000, -0.0001558000000000,  0.0024015800000000 ]  - [   0.0000000000000000, -0.0012276900000000,  0.0043127800000000 ]  - [   0.0006669300000000,  0.0001558000000000,  0.0024015800000000 ]  - [  -0.0006669300000000,  0.0001558000000000,  0.0024015800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010672000000000 ]  - [   0.0000538700000000,  0.0000000000000000,  0.0010845900000000 ]  - [  -0.0000538700000000,  0.0000000000000000,  0.0010845900000000 ]  - [   0.0000000000000000,  0.0000046500000000,  0.0011252200000000 ]  - [   0.0000163300000000,  0.0000006300000000,  0.0010962900000000 ]  - [  -0.0000163300000000,  0.0000006300000000,  0.0010962900000000 ]  - [   0.0000000000000000, -0.0000046500000000,  0.0011252200000000 ]  - [   0.0000163300000000, -0.0000006300000000,  0.0010962900000000 ]  - [  -0.0000163300000000, -0.0000006300000000,  0.0010962900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026578300000000 ]  - [  -0.0001104400000000,  0.0000000000000000, -0.0025843500000000 ]  - [   0.0001104400000000,  0.0000000000000000, -0.0025843500000000 ]  - [   0.0000000000000000, -0.0001422400000000, -0.0024363400000000 ]  - [   0.0000522500000000, -0.0000598700000000, -0.0025153100000000 ]  - [  -0.0000522500000000, -0.0000598700000000, -0.0025153100000000 ]  - [   0.0000000000000000,  0.0001422400000000, -0.0024363400000000 ]  - [   0.0000522500000000,  0.0000598700000000, -0.0025153100000000 ]  - [  -0.0000522500000000,  0.0000598700000000, -0.0025153100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0296335500000000 ]  - [   0.0022096300000000,  0.0000000000000000,  0.0006812900000000 ]  - [  -0.0022096300000000,  0.0000000000000000,  0.0006812900000000 ]  - [   0.0000000000000000,  0.0050343100000000, -0.0058254900000000 ]  - [   0.0008322300000000, -0.0000311300000000, -0.0009811800000000 ]  - [  -0.0008322300000000, -0.0000311300000000, -0.0009811800000000 ]  - [   0.0000000000000000, -0.0050343100000000, -0.0058254900000000 ]  - [   0.0008322300000000,  0.0000311300000000, -0.0009811800000000 ]  - [  -0.0008322300000000,  0.0000311300000000, -0.0009811800000000 ]  - [   0.0022462600000000, -0.0012877600000000,  0.0078341400000000 ]  - [   0.0000000000000000,  0.0018526800000000,  0.0024827300000000 ]  - [  -0.0022462600000000, -0.0012877600000000,  0.0078341400000000 ]  - [   0.0022462600000000,  0.0012877600000000,  0.0078341400000000 ]  - [   0.0000000000000000, -0.0018526800000000,  0.0024827300000000 ]  - [  -0.0022462600000000,  0.0012877600000000,  0.0078341400000000 ]  - [   0.0005033600000000,  0.0000000000000000,  0.0024863100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029007700000000 ]  - [  -0.0005033600000000,  0.0000000000000000,  0.0024863100000000 ]  - [   0.0000216000000000, -0.0000401100000000,  0.0010829200000000 ]  - [   0.0000000000000000, -0.0000167600000000,  0.0011161100000000 ]  - [  -0.0000216000000000, -0.0000401100000000,  0.0010829200000000 ]  - [   0.0000216000000000,  0.0000401100000000,  0.0010829200000000 ]  - [   0.0000000000000000,  0.0000167600000000,  0.0011161100000000 ]  - [  -0.0000216000000000,  0.0000401100000000,  0.0010829200000000 ]  - [   0.0000182200000000,  0.0000000000000000,  0.0011168300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010907100000000 ]  - [  -0.0000182200000000,  0.0000000000000000,  0.0011168300000000 ]  - [  -0.0000466300000000,  0.0002853000000000, -0.0025311100000000 ]  - [   0.0000000000000000,  0.0001693500000000, -0.0024814300000000 ]  - [   0.0000466300000000,  0.0002853000000000, -0.0025311100000000 ]  - [  -0.0000466300000000, -0.0002853000000000, -0.0025311100000000 ]  - [   0.0000000000000000, -0.0001693500000000, -0.0024814300000000 ]  - [   0.0000466300000000, -0.0002853000000000, -0.0025311100000000 ]  - [   0.0000440800000000,  0.0000000000000000, -0.0024788500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026286000000000 ]  - [  -0.0000440800000000,  0.0000000000000000, -0.0024788500000000 ]  - [   0.0024655200000000, -0.0013348700000000, -0.0022739400000000 ]  - [   0.0000000000000000, -0.0001275900000000, -0.0010818600000000 ]  - [  -0.0024655200000000, -0.0013348700000000, -0.0022739400000000 ]  - [   0.0024655200000000,  0.0013348700000000, -0.0022739400000000 ]  - [   0.0000000000000000,  0.0001275900000000, -0.0010818600000000 ]  - [  -0.0024655200000000,  0.0013348700000000, -0.0022739400000000 ]  - [   0.0008922100000000,  0.0000000000000000, -0.0010799500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014520500000000 ]  - [  -0.0008922100000000,  0.0000000000000000, -0.0010799500000000 ]  - [   0.0000000000000000,  0.0025840000000000, -0.0088818600000000 ]  - [  -0.0017163400000000, -0.0014220800000000, -0.0037189800000000 ]  - [   0.0017163400000000, -0.0014220800000000, -0.0037189800000000 ]  - [   0.0000000000000000, -0.0025840000000000, -0.0088818600000000 ]  - [  -0.0017163400000000,  0.0014220800000000, -0.0037189800000000 ]  - [   0.0017163400000000,  0.0014220800000000, -0.0037189800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025938000000000 ]  - [  -0.0006117900000000,  0.0000000000000000, -0.0017310600000000 ]  - [   0.0006117900000000,  0.0000000000000000, -0.0017310600000000 ]  - [   0.0000000000000000, -0.0000672400000000,  0.0017472000000000 ]  - [   0.0000090500000000, -0.0000182600000000,  0.0016953400000000 ]  - [  -0.0000090500000000, -0.0000182600000000,  0.0016953400000000 ]  - [   0.0000000000000000,  0.0000672400000000,  0.0017472000000000 ]  - [   0.0000090500000000,  0.0000182600000000,  0.0016953400000000 ]  - [  -0.0000090500000000,  0.0000182600000000,  0.0016953400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015532400000000 ]  - [  -0.0000516200000000,  0.0000000000000000,  0.0016245700000000 ]  - [   0.0000516200000000,  0.0000000000000000,  0.0016245700000000 ]  - [  -0.0222310700000000,  0.0000000000000000, -0.0410657400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035622400000000 ]  - [   0.0222310700000000,  0.0000000000000000, -0.0410657400000000 ]  - [  -0.0006886100000000,  0.0005276400000000, -0.0059022300000000 ]  - [   0.0000000000000000,  0.0011585000000000, -0.0055046400000000 ]  - [   0.0006886100000000,  0.0005276400000000, -0.0059022300000000 ]  - [  -0.0006886100000000, -0.0005276400000000, -0.0059022300000000 ]  - [   0.0000000000000000, -0.0011585000000000, -0.0055046400000000 ]  - [   0.0006886100000000, -0.0005276400000000, -0.0059022300000000 ]  - [  -0.0001241900000000,  0.0000000000000000, -0.0036744200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0038742300000000 ]  - [   0.0001241900000000,  0.0000000000000000, -0.0036744200000000 ]  - [  -0.0001246100000000, -0.0000776400000000, -0.0038139900000000 ]  - [   0.0000000000000000, -0.0000958900000000, -0.0038771200000000 ]  - [   0.0001246100000000, -0.0000776400000000, -0.0038139900000000 ]  - [  -0.0001246100000000,  0.0000776400000000, -0.0038139900000000 ]  - [   0.0000000000000000,  0.0000958900000000, -0.0038771200000000 ]  - [   0.0001246100000000,  0.0000776400000000, -0.0038139900000000 ]  - [   0.0001763800000000,  0.0000000000000000,  0.0061929300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056199700000000 ]  - [  -0.0001763800000000,  0.0000000000000000,  0.0061929300000000 ]  - [   0.0000270100000000,  0.0007450800000000,  0.0052307400000000 ]  - [   0.0000000000000000,  0.0006502900000000,  0.0054553600000000 ]  - [  -0.0000270100000000,  0.0007450800000000,  0.0052307400000000 ]  - [   0.0000270100000000, -0.0007450800000000,  0.0052307400000000 ]  - [   0.0000000000000000, -0.0006502900000000,  0.0054553600000000 ]  - [  -0.0000270100000000, -0.0007450800000000,  0.0052307400000000 ]  - [  -0.0067437400000000,  0.0000000000000000,  0.0062809700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046656500000000 ]  - [   0.0067437400000000,  0.0000000000000000,  0.0062809700000000 ]  - [  -0.0019185500000000, -0.0009956600000000,  0.0055170200000000 ]  - [   0.0000000000000000,  0.0000388700000000,  0.0046668200000000 ]  - [   0.0019185500000000, -0.0009956600000000,  0.0055170200000000 ]  - [  -0.0019185500000000,  0.0009956600000000,  0.0055170200000000 ]  - [   0.0000000000000000, -0.0000388700000000,  0.0046668200000000 ]  - [   0.0019185500000000,  0.0009956600000000,  0.0055170200000000 ]  - [   0.0000000000000000,  0.0012516900000000, -0.0015473300000000 ]  - [  -0.0009423000000000,  0.0014642600000000, -0.0011659700000000 ]  - [   0.0009423000000000,  0.0014642600000000, -0.0011659700000000 ]  - [   0.0000000000000000, -0.0012516900000000, -0.0015473300000000 ]  - [  -0.0009423000000000, -0.0014642600000000, -0.0011659700000000 ]  - [   0.0009423000000000, -0.0014642600000000, -0.0011659700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004978000000000 ]  - [   0.0002132800000000,  0.0000000000000000,  0.0003014800000000 ]  - [  -0.0002132800000000,  0.0000000000000000,  0.0003014800000000 ]  - [   0.0000000000000000, -0.0001795400000000, -0.0007245800000000 ]  - [   0.0003747800000000, -0.0002222600000000, -0.0005822800000000 ]  - [  -0.0003747800000000, -0.0002222600000000, -0.0005822800000000 ]  - [   0.0000000000000000,  0.0001795400000000, -0.0007245800000000 ]  - [   0.0003747800000000,  0.0002222600000000, -0.0005822800000000 ]  - [  -0.0003747800000000,  0.0002222600000000, -0.0005822800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006363200000000 ]  - [   0.0002116700000000,  0.0000000000000000, -0.0003690600000000 ]  - [  -0.0002116700000000,  0.0000000000000000, -0.0003690600000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0130969200000000, -0.0000381600000000,  0.0017846900000000 ]  - [  -0.0041991700000000, -0.0027121800000000,  0.0000729600000000 ]  - [  -0.0041959400000000,  0.0027050500000000,  0.0035155700000000 ]  - [   0.0017710400000000,  0.0000000000000000,  0.0018108600000000 ]  - [  -0.0008609000000000,  0.0000000000000000,  0.0011939600000000 ]  - [  -0.0008654400000000,  0.0000000000000000,  0.0024203000000000 ]  - [   0.0130969200000000,  0.0000381600000000,  0.0017846900000000 ]  - [  -0.0041991700000000,  0.0027121800000000,  0.0000729600000000 ]  - [  -0.0041959400000000, -0.0027050500000000,  0.0035155700000000 ]  - [   0.0002134100000000,  0.0000007700000000,  0.0018070900000000 ]  - [  -0.0001045800000000, -0.0000393200000000,  0.0018143900000000 ]  - [  -0.0001049000000000,  0.0000404200000000,  0.0017930800000000 ]  - [   0.0000888800000000,  0.0000000000000000,  0.0018078100000000 ]  - [  -0.0000393100000000,  0.0000000000000000,  0.0017528100000000 ]  - [  -0.0000399300000000,  0.0000000000000000,  0.0018576000000000 ]  - [   0.0002134100000000, -0.0000007700000000,  0.0018070900000000 ]  - [  -0.0001045800000000,  0.0000393200000000,  0.0018143900000000 ]  - [  -0.0001049000000000, -0.0000404200000000,  0.0017930800000000 ]  - [   0.0002134100000000,  0.0000007700000000, -0.0018070900000000 ]  - [  -0.0001045800000000, -0.0000393200000000, -0.0018143900000000 ]  - [  -0.0001049000000000,  0.0000404200000000, -0.0017930800000000 ]  - [   0.0000888800000000,  0.0000000000000000, -0.0018078100000000 ]  - [  -0.0000393100000000,  0.0000000000000000, -0.0017528100000000 ]  - [  -0.0000399300000000,  0.0000000000000000, -0.0018576000000000 ]  - [   0.0002134100000000, -0.0000007700000000, -0.0018070900000000 ]  - [  -0.0001045800000000,  0.0000393200000000, -0.0018143900000000 ]  - [  -0.0001049000000000, -0.0000404200000000, -0.0017930800000000 ]  - [   0.0130969200000000, -0.0000381600000000, -0.0017846900000000 ]  - [  -0.0041991700000000, -0.0027121800000000, -0.0000729600000000 ]  - [  -0.0041959400000000,  0.0027050500000000, -0.0035155700000000 ]  - [   0.0017710400000000,  0.0000000000000000, -0.0018108600000000 ]  - [  -0.0008609000000000,  0.0000000000000000, -0.0011939600000000 ]  - [  -0.0008654400000000,  0.0000000000000000, -0.0024203000000000 ]  - [   0.0130969200000000,  0.0000381600000000, -0.0017846900000000 ]  - [  -0.0041991700000000,  0.0027121800000000, -0.0000729600000000 ]  - [  -0.0041959400000000, -0.0027050500000000, -0.0035155700000000 ]  - [   0.0119680400000000,  0.0000000000000000, -0.0007281800000000 ]  - [  -0.0043383700000000,  0.0000000000000000,  0.0017996700000000 ]  - [   0.0108874300000000,  0.0000000000000000,  0.0050030300000000 ]  - [   0.0008509100000000, -0.0017400600000000,  0.0032420100000000 ]  - [  -0.0015677400000000, -0.0000016900000000,  0.0018057700000000 ]  - [   0.0008375800000000,  0.0017437100000000,  0.0003771300000000 ]  - [   0.0008509100000000,  0.0017400600000000,  0.0032420100000000 ]  - [  -0.0015677400000000,  0.0000016900000000,  0.0018057700000000 ]  - [   0.0008375800000000, -0.0017437100000000,  0.0003771300000000 ]  - [   0.0000649600000000,  0.0000000000000000,  0.0018691200000000 ]  - [  -0.0001287000000000,  0.0000000000000000,  0.0018052600000000 ]  - [   0.0000640600000000,  0.0000000000000000,  0.0017351300000000 ]  - [   0.0000255800000000, -0.0000834700000000,  0.0018220000000000 ]  - [  -0.0000490400000000,  0.0000007400000000,  0.0018052700000000 ]  - [   0.0000244600000000,  0.0000847200000000,  0.0017883500000000 ]  - [   0.0000255800000000,  0.0000834700000000,  0.0018220000000000 ]  - [  -0.0000490400000000, -0.0000007400000000,  0.0018052700000000 ]  - [   0.0000244600000000, -0.0000847200000000,  0.0017883500000000 ]  - [   0.0000649600000000,  0.0000000000000000, -0.0018691200000000 ]  - [  -0.0001287000000000,  0.0000000000000000, -0.0018052600000000 ]  - [   0.0000640600000000,  0.0000000000000000, -0.0017351300000000 ]  - [   0.0000255800000000, -0.0000834700000000, -0.0018220000000000 ]  - [  -0.0000490400000000,  0.0000007400000000, -0.0018052700000000 ]  - [   0.0000244600000000,  0.0000847200000000, -0.0017883500000000 ]  - [   0.0000255800000000,  0.0000834700000000, -0.0018220000000000 ]  - [  -0.0000490400000000, -0.0000007400000000, -0.0018052700000000 ]  - [   0.0000244600000000, -0.0000847200000000, -0.0017883500000000 ]  - [   0.0119680400000000,  0.0000000000000000,  0.0007281800000000 ]  - [  -0.0043383700000000,  0.0000000000000000, -0.0017996700000000 ]  - [   0.0108874300000000,  0.0000000000000000, -0.0050030300000000 ]  - [   0.0008509100000000, -0.0017400600000000, -0.0032420100000000 ]  - [  -0.0015677400000000, -0.0000016900000000, -0.0018057700000000 ]  - [   0.0008375800000000,  0.0017437100000000, -0.0003771300000000 ]  - [   0.0008509100000000,  0.0017400600000000, -0.0032420100000000 ]  - [  -0.0015677400000000,  0.0000016900000000, -0.0018057700000000 ]  - [   0.0008375800000000, -0.0017437100000000, -0.0003771300000000 ]  - [  -0.1079222600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0188486100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0186508800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0042398500000000, -0.0000295300000000,  0.0000000000000000 ]  - [   0.0018971800000000,  0.0020956300000000,  0.0000000000000000 ]  - [   0.0019049300000000, -0.0020801900000000,  0.0000000000000000 ]  - [  -0.0042398500000000,  0.0000295300000000,  0.0000000000000000 ]  - [   0.0018971800000000, -0.0020956300000000,  0.0000000000000000 ]  - [   0.0019049300000000,  0.0020801900000000,  0.0000000000000000 ]  - [  -0.0001152500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000652800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000551400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000022300000000, -0.0000015700000000,  0.0000000000000000 ]  - [   0.0000042100000000,  0.0000734300000000,  0.0000000000000000 ]  - [  -0.0000003700000000, -0.0000729300000000,  0.0000000000000000 ]  - [  -0.0000022300000000,  0.0000015700000000,  0.0000000000000000 ]  - [   0.0000042100000000, -0.0000734300000000,  0.0000000000000000 ]  - [  -0.0000003700000000,  0.0000729300000000,  0.0000000000000000 ]  - [  -0.0007905200000000,  0.0161154500000000,  0.0034410900000000 ]  - [   0.0051535600000000,  0.0000012500000000, -0.0046585500000000 ]  - [  -0.0007238700000000, -0.0160289800000000, -0.0127106700000000 ]  - [  -0.0006417900000000,  0.0000000000000000, -0.0039836000000000 ]  - [   0.0013066100000000,  0.0000000000000000, -0.0046615100000000 ]  - [  -0.0006366800000000,  0.0000000000000000, -0.0053429500000000 ]  - [  -0.0007905200000000, -0.0161154500000000,  0.0034410900000000 ]  - [   0.0051535600000000, -0.0000012500000000, -0.0046585500000000 ]  - [  -0.0007238700000000,  0.0160289800000000, -0.0127106700000000 ]  - [  -0.0003019000000000,  0.0000577100000000, -0.0050597000000000 ]  - [   0.0005985000000000, -0.0000014900000000, -0.0046616200000000 ]  - [  -0.0003002900000000, -0.0000582400000000, -0.0042632600000000 ]  - [  -0.0002653400000000,  0.0000000000000000, -0.0046839300000000 ]  - [   0.0005188500000000,  0.0000000000000000, -0.0046631500000000 ]  - [  -0.0002634300000000,  0.0000000000000000, -0.0046404900000000 ]  - [  -0.0003019000000000, -0.0000577100000000, -0.0050597000000000 ]  - [   0.0005985000000000,  0.0000014900000000, -0.0046616200000000 ]  - [  -0.0003002900000000,  0.0000582400000000, -0.0042632600000000 ]  - [  -0.0003019000000000,  0.0000577100000000,  0.0050597000000000 ]  - [   0.0005985000000000, -0.0000014900000000,  0.0046616200000000 ]  - [  -0.0003002900000000, -0.0000582400000000,  0.0042632600000000 ]  - [  -0.0002653400000000,  0.0000000000000000,  0.0046839300000000 ]  - [   0.0005188500000000,  0.0000000000000000,  0.0046631500000000 ]  - [  -0.0002634300000000,  0.0000000000000000,  0.0046404900000000 ]  - [  -0.0003019000000000, -0.0000577100000000,  0.0050597000000000 ]  - [   0.0005985000000000,  0.0000014900000000,  0.0046616200000000 ]  - [  -0.0003002900000000,  0.0000582400000000,  0.0042632600000000 ]  - [  -0.0007905200000000,  0.0161154500000000, -0.0034410900000000 ]  - [   0.0051535600000000,  0.0000012500000000,  0.0046585500000000 ]  - [  -0.0007238700000000, -0.0160289800000000,  0.0127106700000000 ]  - [  -0.0006417900000000,  0.0000000000000000,  0.0039836000000000 ]  - [   0.0013066100000000,  0.0000000000000000,  0.0046615100000000 ]  - [  -0.0006366800000000,  0.0000000000000000,  0.0053429500000000 ]  - [  -0.0007905200000000, -0.0161154500000000, -0.0034410900000000 ]  - [   0.0051535600000000, -0.0000012500000000,  0.0046585500000000 ]  - [  -0.0007238700000000,  0.0160289800000000,  0.0127106700000000 ]  - [   0.0010996100000000,  0.0000000000000000, -0.0000007600000000 ]  - [  -0.0005400400000000,  0.0000000000000000, -0.0005786600000000 ]  - [  -0.0005463400000000,  0.0000000000000000,  0.0005848300000000 ]  - [   0.0013373300000000, -0.0000007600000000, -0.0000003200000000 ]  - [  -0.0006395500000000, -0.0003350000000000, -0.0005334500000000 ]  - [  -0.0006398800000000,  0.0003329600000000,  0.0005318400000000 ]  - [   0.0013373300000000,  0.0000007600000000, -0.0000003200000000 ]  - [  -0.0006395500000000,  0.0003350000000000, -0.0005334500000000 ]  - [  -0.0006398800000000, -0.0003329600000000,  0.0005318400000000 ]  - [   0.0010996100000000,  0.0000000000000000,  0.0000007600000000 ]  - [  -0.0005400400000000,  0.0000000000000000,  0.0005786600000000 ]  - [  -0.0005463400000000,  0.0000000000000000, -0.0005848300000000 ]  - [   0.0013373300000000, -0.0000007600000000,  0.0000003200000000 ]  - [  -0.0006395500000000, -0.0003350000000000,  0.0005334500000000 ]  - [  -0.0006398800000000,  0.0003329600000000, -0.0005318400000000 ]  - [   0.0013373300000000,  0.0000007600000000,  0.0000003200000000 ]  - [  -0.0006395500000000,  0.0003350000000000,  0.0005334500000000 ]  - [  -0.0006398800000000, -0.0003329600000000, -0.0005318400000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0003361000000000,  0.0107174700000000 ]  - [  -0.0041853300000000, -0.0016319000000000,  0.0055122600000000 ]  - [   0.0041853300000000, -0.0016319000000000,  0.0055122600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043943100000000 ]  - [  -0.0010348300000000,  0.0000000000000000,  0.0035340800000000 ]  - [   0.0010348300000000,  0.0000000000000000,  0.0035340800000000 ]  - [   0.0000000000000000,  0.0003361000000000,  0.0107174700000000 ]  - [  -0.0041853300000000,  0.0016319000000000,  0.0055122600000000 ]  - [   0.0041853300000000,  0.0016319000000000,  0.0055122600000000 ]  - [   0.0000000000000000,  0.0001245200000000,  0.0000619900000000 ]  - [   0.0001958500000000,  0.0000247900000000,  0.0001167500000000 ]  - [  -0.0001958500000000,  0.0000247900000000,  0.0001167500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002521900000000 ]  - [   0.0000449100000000,  0.0000000000000000,  0.0001818700000000 ]  - [  -0.0000449100000000,  0.0000000000000000,  0.0001818700000000 ]  - [   0.0000000000000000, -0.0001245200000000,  0.0000619900000000 ]  - [   0.0001958500000000, -0.0000247900000000,  0.0001167500000000 ]  - [  -0.0001958500000000, -0.0000247900000000,  0.0001167500000000 ]  - [   0.0000000000000000, -0.0001268200000000, -0.0035535700000000 ]  - [  -0.0001980600000000, -0.0000253100000000, -0.0034968700000000 ]  - [   0.0001980600000000, -0.0000253100000000, -0.0034968700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033602300000000 ]  - [  -0.0000446500000000,  0.0000000000000000, -0.0034307900000000 ]  - [   0.0000446500000000,  0.0000000000000000, -0.0034307900000000 ]  - [   0.0000000000000000,  0.0001268200000000, -0.0035535700000000 ]  - [  -0.0001980600000000,  0.0000253100000000, -0.0034968700000000 ]  - [   0.0001980600000000,  0.0000253100000000, -0.0034968700000000 ]  - [   0.0000000000000000,  0.0007923100000000,  0.0067424700000000 ]  - [   0.0041860600000000,  0.0016372700000000,  0.0019001800000000 ]  - [  -0.0041860600000000,  0.0016372700000000,  0.0019001800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007789300000000 ]  - [   0.0010360200000000,  0.0000000000000000, -0.0000834600000000 ]  - [  -0.0010360200000000,  0.0000000000000000, -0.0000834600000000 ]  - [   0.0000000000000000, -0.0007923100000000,  0.0067424700000000 ]  - [   0.0041860600000000, -0.0016372700000000,  0.0019001800000000 ]  - [  -0.0041860600000000, -0.0016372700000000,  0.0019001800000000 ]  - [  -0.0003361000000000,  0.0000000000000000,  0.0107174700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043943100000000 ]  - [   0.0003361000000000,  0.0000000000000000,  0.0107174700000000 ]  - [  -0.0016319000000000, -0.0041853300000000,  0.0055122600000000 ]  - [   0.0000000000000000, -0.0010348300000000,  0.0035340800000000 ]  - [   0.0016319000000000, -0.0041853300000000,  0.0055122600000000 ]  - [  -0.0016319000000000,  0.0041853300000000,  0.0055122600000000 ]  - [   0.0000000000000000,  0.0010348300000000,  0.0035340800000000 ]  - [   0.0016319000000000,  0.0041853300000000,  0.0055122600000000 ]  - [   0.0001245200000000,  0.0000000000000000,  0.0000619900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002521900000000 ]  - [  -0.0001245200000000,  0.0000000000000000,  0.0000619900000000 ]  - [   0.0000247900000000,  0.0001958500000000,  0.0001167500000000 ]  - [   0.0000000000000000,  0.0000449100000000,  0.0001818700000000 ]  - [  -0.0000247900000000,  0.0001958500000000,  0.0001167500000000 ]  - [   0.0000247900000000, -0.0001958500000000,  0.0001167500000000 ]  - [   0.0000000000000000, -0.0000449100000000,  0.0001818700000000 ]  - [  -0.0000247900000000, -0.0001958500000000,  0.0001167500000000 ]  - [  -0.0001268200000000,  0.0000000000000000, -0.0035535700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033602300000000 ]  - [   0.0001268200000000,  0.0000000000000000, -0.0035535700000000 ]  - [  -0.0000253100000000, -0.0001980600000000, -0.0034968700000000 ]  - [   0.0000000000000000, -0.0000446500000000, -0.0034307900000000 ]  - [   0.0000253100000000, -0.0001980600000000, -0.0034968700000000 ]  - [  -0.0000253100000000,  0.0001980600000000, -0.0034968700000000 ]  - [   0.0000000000000000,  0.0000446500000000, -0.0034307900000000 ]  - [   0.0000253100000000,  0.0001980600000000, -0.0034968700000000 ]  - [   0.0007923100000000,  0.0000000000000000,  0.0067424700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007789300000000 ]  - [  -0.0007923100000000,  0.0000000000000000,  0.0067424700000000 ]  - [   0.0016372700000000,  0.0041860600000000,  0.0019001800000000 ]  - [   0.0000000000000000,  0.0010360200000000, -0.0000834600000000 ]  - [  -0.0016372700000000,  0.0041860600000000,  0.0019001800000000 ]  - [   0.0016372700000000, -0.0041860600000000,  0.0019001800000000 ]  - [   0.0000000000000000, -0.0010360200000000, -0.0000834600000000 ]  - [  -0.0016372700000000, -0.0041860600000000,  0.0019001800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1116502700000000 ]  - [  -0.0000126800000000,  0.0000000000000000, -0.0158962800000000 ]  - [   0.0000126800000000,  0.0000000000000000, -0.0158962800000000 ]  - [   0.0000000000000000, -0.0000126800000000, -0.0158962800000000 ]  - [  -0.0000006700000000, -0.0000006700000000, -0.0074715500000000 ]  - [   0.0000006700000000, -0.0000006700000000, -0.0074715500000000 ]  - [   0.0000000000000000,  0.0000126800000000, -0.0158962800000000 ]  - [  -0.0000006700000000,  0.0000006700000000, -0.0074715500000000 ]  - [   0.0000006700000000,  0.0000006700000000, -0.0074715500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042435500000000 ]  - [   0.0000009200000000,  0.0000000000000000,  0.0039499500000000 ]  - [  -0.0000009200000000,  0.0000000000000000,  0.0039499500000000 ]  - [   0.0000000000000000,  0.0000009200000000,  0.0039499500000000 ]  - [  -0.0000001500000000, -0.0000001500000000,  0.0038717900000000 ]  - [   0.0000001500000000, -0.0000001500000000,  0.0038717900000000 ]  - [   0.0000000000000000, -0.0000009200000000,  0.0039499500000000 ]  - [  -0.0000001500000000,  0.0000001500000000,  0.0038717900000000 ]  - [   0.0000001500000000,  0.0000001500000000,  0.0038717900000000 ]  - [   0.0139991400000000,  0.0139991400000000,  0.0034233800000000 ]  - [   0.0000000000000000,  0.0002753800000000, -0.0045625200000000 ]  - [  -0.0139991400000000,  0.0139991400000000,  0.0034233800000000 ]  - [   0.0002753800000000,  0.0000000000000000, -0.0045625200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0052872700000000 ]  - [  -0.0002753800000000,  0.0000000000000000, -0.0045625200000000 ]  - [   0.0139991400000000, -0.0139991400000000,  0.0034233800000000 ]  - [   0.0000000000000000, -0.0002753800000000, -0.0045625200000000 ]  - [  -0.0139991400000000, -0.0139991400000000,  0.0034233800000000 ]  - [  -0.0005156700000000, -0.0005156700000000, -0.0022912700000000 ]  - [   0.0000000000000000, -0.0003057500000000, -0.0029113000000000 ]  - [   0.0005156700000000, -0.0005156700000000, -0.0022912700000000 ]  - [  -0.0003057500000000,  0.0000000000000000, -0.0029113000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029079200000000 ]  - [   0.0003057500000000,  0.0000000000000000, -0.0029113000000000 ]  - [  -0.0005156700000000,  0.0005156700000000, -0.0022912700000000 ]  - [   0.0000000000000000,  0.0003057500000000, -0.0029113000000000 ]  - [   0.0005156700000000,  0.0005156700000000, -0.0022912700000000 ]  - [   0.0005199300000000,  0.0005199300000000,  0.0070326300000000 ]  - [   0.0000000000000000,  0.0003035600000000,  0.0064075900000000 ]  - [  -0.0005199300000000,  0.0005199300000000,  0.0070326300000000 ]  - [   0.0003035600000000,  0.0000000000000000,  0.0064075900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0064149500000000 ]  - [  -0.0003035600000000,  0.0000000000000000,  0.0064075900000000 ]  - [   0.0005199300000000, -0.0005199300000000,  0.0070326300000000 ]  - [   0.0000000000000000, -0.0003035600000000,  0.0064075900000000 ]  - [  -0.0005199300000000, -0.0005199300000000,  0.0070326300000000 ]  - [  -0.0139218100000000, -0.0139218100000000,  0.0127012600000000 ]  - [   0.0000000000000000, -0.0002768400000000,  0.0047595600000000 ]  - [   0.0139218100000000, -0.0139218100000000,  0.0127012600000000 ]  - [  -0.0002768400000000,  0.0000000000000000,  0.0047595600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040353600000000 ]  - [   0.0002768400000000,  0.0000000000000000,  0.0047595600000000 ]  - [  -0.0139218100000000,  0.0139218100000000,  0.0127012600000000 ]  - [   0.0000000000000000,  0.0002768400000000,  0.0047595600000000 ]  - [   0.0139218100000000,  0.0139218100000000,  0.0127012600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025686100000000 ]  - [  -0.0009138000000000,  0.0000000000000000, -0.0014283300000000 ]  - [   0.0009138000000000,  0.0000000000000000, -0.0014283300000000 ]  - [   0.0000000000000000, -0.0009138000000000, -0.0014283300000000 ]  - [  -0.0007057700000000, -0.0007057700000000, -0.0009232600000000 ]  - [   0.0007057700000000, -0.0007057700000000, -0.0009232600000000 ]  - [   0.0000000000000000,  0.0009138000000000, -0.0014283300000000 ]  - [  -0.0007057700000000,  0.0007057700000000, -0.0009232600000000 ]  - [   0.0007057700000000,  0.0007057700000000, -0.0009232600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025493500000000 ]  - [   0.0009149600000000,  0.0000000000000000, -0.0014361800000000 ]  - [  -0.0009149600000000,  0.0000000000000000, -0.0014361800000000 ]  - [   0.0000000000000000,  0.0009149600000000, -0.0014361800000000 ]  - [   0.0007041300000000,  0.0007041300000000, -0.0009253600000000 ]  - [  -0.0007041300000000,  0.0007041300000000, -0.0009253600000000 ]  - [   0.0000000000000000, -0.0009149600000000, -0.0014361800000000 ]  - [   0.0007041300000000, -0.0007041300000000, -0.0009253600000000 ]  - [  -0.0007041300000000, -0.0007041300000000, -0.0009253600000000 ]- atom:   91  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0284524700000000,  0.0000000000000000,  0.0236779800000000 ]  - [   0.0309680000000000,  0.0000000000000000, -0.0217747700000000 ]  - [  -0.0110672200000000,  0.0000000000000000,  0.0018320000000000 ]  - [   0.0024364300000000,  0.0012376200000000,  0.0024950200000000 ]  - [   0.0024771800000000, -0.0012335700000000,  0.0011227600000000 ]  - [  -0.0039906900000000, -0.0000036800000000,  0.0018048200000000 ]  - [   0.0024364300000000, -0.0012376200000000,  0.0024950200000000 ]  - [   0.0024771800000000,  0.0012335700000000,  0.0011227600000000 ]  - [  -0.0039906900000000,  0.0000036800000000,  0.0018048200000000 ]  - [   0.0000388200000000,  0.0000000000000000,  0.0019284200000000 ]  - [   0.0000394900000000,  0.0000000000000000,  0.0016841800000000 ]  - [  -0.0000803300000000,  0.0000000000000000,  0.0018043000000000 ]  - [   0.0000386300000000, -0.0000036400000000,  0.0019316700000000 ]  - [   0.0000400300000000,  0.0000020600000000,  0.0016813800000000 ]  - [  -0.0000712100000000,  0.0000001600000000,  0.0018075700000000 ]  - [   0.0000386300000000,  0.0000036400000000,  0.0019316700000000 ]  - [   0.0000400300000000, -0.0000020600000000,  0.0016813800000000 ]  - [  -0.0000712100000000, -0.0000001600000000,  0.0018075700000000 ]  - [   0.0010075500000000,  0.0000000000000000, -0.0016283700000000 ]  - [   0.0010092700000000,  0.0000000000000000, -0.0019906700000000 ]  - [  -0.0020163500000000,  0.0000000000000000, -0.0018088900000000 ]  - [   0.0007431500000000,  0.0003620700000000, -0.0017772400000000 ]  - [   0.0007396500000000, -0.0003614800000000, -0.0018388200000000 ]  - [  -0.0016988700000000, -0.0000011600000000, -0.0018029700000000 ]  - [   0.0007431500000000, -0.0003620700000000, -0.0017772400000000 ]  - [   0.0007396500000000,  0.0003614800000000, -0.0018388200000000 ]  - [  -0.0016988700000000,  0.0000011600000000, -0.0018029700000000 ]  - [   0.0011448100000000,  0.0000000000000000, -0.0085255100000000 ]  - [   0.0011361000000000,  0.0000000000000000,  0.0049312500000000 ]  - [  -0.0015169700000000,  0.0000000000000000, -0.0017997200000000 ]  - [   0.0004566100000000,  0.0018345100000000, -0.0037237600000000 ]  - [   0.0004604100000000, -0.0018469600000000,  0.0001093000000000 ]  - [  -0.0009117000000000, -0.0000034300000000, -0.0018056600000000 ]  - [   0.0004566100000000, -0.0018345100000000, -0.0037237600000000 ]  - [   0.0004604100000000,  0.0018469600000000,  0.0001093000000000 ]  - [  -0.0009117000000000,  0.0000034300000000, -0.0018056600000000 ]  - [   0.0138606900000000,  0.0000717200000000,  0.0018695400000000 ]  - [  -0.0052280400000000,  0.0067397000000000,  0.0023294600000000 ]  - [  -0.0052159800000000, -0.0067291800000000,  0.0013011600000000 ]  - [   0.0138606900000000, -0.0000717200000000,  0.0018695400000000 ]  - [  -0.0052280400000000, -0.0067397000000000,  0.0023294600000000 ]  - [  -0.0052159800000000,  0.0067291800000000,  0.0013011600000000 ]  - [   0.0009546100000000,  0.0000000000000000,  0.0017981400000000 ]  - [  -0.0004495400000000,  0.0000000000000000,  0.0029677300000000 ]  - [  -0.0004562700000000,  0.0000000000000000,  0.0006535800000000 ]  - [   0.0001439300000000, -0.0000001200000000,  0.0018067500000000 ]  - [  -0.0000748000000000, -0.0000029700000000,  0.0017287400000000 ]  - [  -0.0000751700000000,  0.0000026600000000,  0.0018833200000000 ]  - [   0.0001439300000000,  0.0000001200000000,  0.0018067500000000 ]  - [  -0.0000748000000000,  0.0000029700000000,  0.0017287400000000 ]  - [  -0.0000751700000000, -0.0000026600000000,  0.0018833200000000 ]  - [   0.0001477600000000,  0.0000000000000000,  0.0018037100000000 ]  - [  -0.0000737900000000,  0.0000000000000000,  0.0017112600000000 ]  - [  -0.0000740700000000,  0.0000000000000000,  0.0019051500000000 ]  - [   0.0006989200000000, -0.0000001600000000, -0.0018082600000000 ]  - [  -0.0003961900000000,  0.0003060600000000, -0.0025535300000000 ]  - [  -0.0003955000000000, -0.0003019700000000, -0.0010599600000000 ]  - [   0.0006989200000000,  0.0000001600000000, -0.0018082600000000 ]  - [  -0.0003961900000000, -0.0003060600000000, -0.0025535300000000 ]  - [  -0.0003955000000000,  0.0003019700000000, -0.0010599600000000 ]  - [   0.0001126200000000,  0.0000000000000000, -0.0018120100000000 ]  - [  -0.0000361300000000,  0.0000000000000000, -0.0024551500000000 ]  - [  -0.0000325300000000,  0.0000000000000000, -0.0011543800000000 ]  - [   0.0028005900000000,  0.0000011100000000, -0.0018171300000000 ]  - [  -0.0012968600000000,  0.0004381000000000, -0.0008152700000000 ]  - [  -0.0013035800000000, -0.0004388200000000, -0.0027960400000000 ]  - [   0.0028005900000000, -0.0000011100000000, -0.0018171300000000 ]  - [  -0.0012968600000000, -0.0004381000000000, -0.0008152700000000 ]  - [  -0.0013035800000000,  0.0004388200000000, -0.0027960400000000 ]  - [   0.0009442100000000,  0.0000000000000000, -0.0018091600000000 ]  - [  -0.0004592000000000,  0.0000000000000000, -0.0018477800000000 ]  - [  -0.0004615700000000,  0.0000000000000000, -0.0017644500000000 ]  - [  -0.0007351100000000,  0.0160318300000000,  0.0139291200000000 ]  - [  -0.0007806800000000, -0.0161098200000000, -0.0139938800000000 ]  - [   0.0051562200000000, -0.0000149700000000, -0.0000084700000000 ]  - [  -0.0007351100000000, -0.0160318300000000,  0.0139291200000000 ]  - [  -0.0007806800000000,  0.0161098200000000, -0.0139938800000000 ]  - [   0.0051562200000000,  0.0000149700000000, -0.0000084700000000 ]  - [  -0.0006299500000000,  0.0000000000000000,  0.0002918800000000 ]  - [  -0.0006447900000000,  0.0000000000000000, -0.0002719000000000 ]  - [   0.0013056800000000,  0.0000000000000000,  0.0000043300000000 ]  - [  -0.0002990700000000,  0.0000588100000000, -0.0005201400000000 ]  - [  -0.0002972100000000, -0.0000562200000000,  0.0005176400000000 ]  - [   0.0005914900000000,  0.0000011700000000, -0.0000002600000000 ]  - [  -0.0002990700000000, -0.0000588100000000, -0.0005201400000000 ]  - [  -0.0002972100000000,  0.0000562200000000,  0.0005176400000000 ]  - [   0.0005914900000000, -0.0000011700000000, -0.0000002600000000 ]  - [  -0.0002721600000000,  0.0000000000000000, -0.0003067000000000 ]  - [  -0.0002638400000000,  0.0000000000000000,  0.0002985000000000 ]  - [   0.0005254800000000,  0.0000000000000000,  0.0000100700000000 ]  - [  -0.1341543600000000,  0.0000000000000000, -0.0030133300000000 ]  - [   0.0349644500000000,  0.0000000000000000,  0.0005611700000000 ]  - [   0.0346957000000000,  0.0000000000000000, -0.0099115700000000 ]  - [  -0.0049871300000000, -0.0000468800000000, -0.0046810700000000 ]  - [   0.0021765200000000,  0.0042284800000000, -0.0044171900000000 ]  - [   0.0021880600000000, -0.0042039300000000, -0.0049039900000000 ]  - [  -0.0049871300000000,  0.0000468800000000, -0.0046810700000000 ]  - [   0.0021765200000000, -0.0042284800000000, -0.0044171900000000 ]  - [   0.0021880600000000,  0.0042039300000000, -0.0049039900000000 ]  - [  -0.0002547200000000,  0.0000000000000000, -0.0046591700000000 ]  - [   0.0001270600000000,  0.0000000000000000, -0.0047473700000000 ]  - [   0.0001294000000000,  0.0000000000000000, -0.0045739300000000 ]  - [  -0.0002559500000000, -0.0000021800000000, -0.0046594700000000 ]  - [   0.0001278900000000, -0.0000028900000000, -0.0046856500000000 ]  - [   0.0001271300000000,  0.0000052800000000, -0.0046362400000000 ]  - [  -0.0002559500000000,  0.0000021800000000, -0.0046594700000000 ]  - [   0.0001278900000000,  0.0000028900000000, -0.0046856500000000 ]  - [   0.0001271300000000, -0.0000052800000000, -0.0046362400000000 ]  - [  -0.0045607600000000,  0.0000000000000000,  0.0046556900000000 ]  - [   0.0022248000000000,  0.0000000000000000,  0.0072112700000000 ]  - [   0.0022255900000000,  0.0000000000000000,  0.0021191000000000 ]  - [  -0.0031526000000000,  0.0000042300000000,  0.0046612900000000 ]  - [   0.0016976500000000,  0.0009236800000000,  0.0059900300000000 ]  - [   0.0017042400000000, -0.0009212200000000,  0.0033272400000000 ]  - [  -0.0031526000000000, -0.0000042300000000,  0.0046612900000000 ]  - [   0.0016976500000000, -0.0009236800000000,  0.0059900300000000 ]  - [   0.0017042400000000,  0.0009212200000000,  0.0033272400000000 ]  - [  -0.0051695300000000,  0.0000000000000000,  0.0046587100000000 ]  - [   0.0024584200000000,  0.0000000000000000,  0.0036009700000000 ]  - [   0.0024620500000000,  0.0000000000000000,  0.0057197900000000 ]  - [  -0.0017246100000000, -0.0000036600000000,  0.0046627800000000 ]  - [   0.0008569500000000,  0.0005769900000000,  0.0042128000000000 ]  - [   0.0008588200000000, -0.0005775200000000,  0.0051075200000000 ]  - [  -0.0017246100000000,  0.0000036600000000,  0.0046627800000000 ]  - [   0.0008569500000000, -0.0005769900000000,  0.0042128000000000 ]  - [   0.0008588200000000,  0.0005775200000000,  0.0051075200000000 ]  - [   0.0013600300000000, -0.0004122300000000,  0.0014093600000000 ]  - [   0.0014155400000000,  0.0003722400000000, -0.0013712300000000 ]  - [  -0.0024722400000000,  0.0000064900000000, -0.0000050000000000 ]  - [   0.0013600300000000,  0.0004122300000000,  0.0014093600000000 ]  - [   0.0014155400000000, -0.0003722400000000, -0.0013712300000000 ]  - [  -0.0024722400000000, -0.0000064900000000, -0.0000050000000000 ]  - [   0.0004341000000000,  0.0000000000000000,  0.0003066700000000 ]  - [   0.0004419200000000,  0.0000000000000000, -0.0002973100000000 ]  - [  -0.0008864700000000,  0.0000000000000000,  0.0000007500000000 ]  - [   0.0001844900000000, -0.0000050500000000, -0.0000774600000000 ]  - [   0.0001856900000000,  0.0000048000000000,  0.0000768400000000 ]  - [  -0.0003557600000000,  0.0000004100000000,  0.0000006600000000 ]  - [   0.0001844900000000,  0.0000050500000000, -0.0000774600000000 ]  - [   0.0001856900000000, -0.0000048000000000,  0.0000768400000000 ]  - [  -0.0003557600000000, -0.0000004100000000,  0.0000006600000000 ]  - [   0.0001247900000000,  0.0000000000000000, -0.0001235200000000 ]  - [   0.0001256400000000,  0.0000000000000000,  0.0001228900000000 ]  - [  -0.0002562300000000,  0.0000000000000000,  0.0000000500000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0235308500000000,  0.0000000000000000,  0.0381154000000000 ]  - [  -0.0235308500000000,  0.0000000000000000,  0.0381154000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007123400000000 ]  - [  -0.0023431700000000,  0.0019776300000000,  0.0030677300000000 ]  - [   0.0023431700000000,  0.0019776300000000,  0.0030677300000000 ]  - [   0.0000000000000000,  0.0006817700000000,  0.0026581300000000 ]  - [  -0.0023431700000000, -0.0019776300000000,  0.0030677300000000 ]  - [   0.0023431700000000, -0.0019776300000000,  0.0030677300000000 ]  - [   0.0000000000000000, -0.0006817700000000,  0.0026581300000000 ]  - [  -0.0000021000000000,  0.0000000000000000,  0.0008165900000000 ]  - [   0.0000021000000000,  0.0000000000000000,  0.0008165900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010140500000000 ]  - [   0.0000223100000000, -0.0000727600000000,  0.0009553200000000 ]  - [  -0.0000223100000000, -0.0000727600000000,  0.0009553200000000 ]  - [   0.0000000000000000, -0.0000300700000000,  0.0010207100000000 ]  - [   0.0000223100000000,  0.0000727600000000,  0.0009553200000000 ]  - [  -0.0000223100000000,  0.0000727600000000,  0.0009553200000000 ]  - [   0.0000000000000000,  0.0000300700000000,  0.0010207100000000 ]  - [   0.0018378200000000,  0.0000000000000000, -0.0033486500000000 ]  - [  -0.0018378200000000,  0.0000000000000000, -0.0033486500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027632600000000 ]  - [   0.0005412600000000, -0.0004139600000000, -0.0023790000000000 ]  - [  -0.0005412600000000, -0.0004139600000000, -0.0023790000000000 ]  - [   0.0000000000000000,  0.0001152600000000, -0.0025956500000000 ]  - [   0.0005412600000000,  0.0004139600000000, -0.0023790000000000 ]  - [  -0.0005412600000000,  0.0004139600000000, -0.0023790000000000 ]  - [   0.0000000000000000, -0.0001152600000000, -0.0025956500000000 ]  - [  -0.0018888700000000,  0.0000000000000000, -0.0034404000000000 ]  - [   0.0018888700000000,  0.0000000000000000, -0.0034404000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018156000000000 ]  - [  -0.0003367000000000,  0.0009156100000000, -0.0026707600000000 ]  - [   0.0003367000000000,  0.0009156100000000, -0.0026707600000000 ]  - [   0.0000000000000000,  0.0002849300000000, -0.0018169100000000 ]  - [  -0.0003367000000000, -0.0009156100000000, -0.0026707600000000 ]  - [   0.0003367000000000, -0.0009156100000000, -0.0026707600000000 ]  - [   0.0000000000000000, -0.0002849300000000, -0.0018169100000000 ]  - [   0.0000000000000000,  0.0235308500000000,  0.0381154000000000 ]  - [   0.0019776300000000, -0.0023431700000000,  0.0030677300000000 ]  - [  -0.0019776300000000, -0.0023431700000000,  0.0030677300000000 ]  - [   0.0000000000000000, -0.0235308500000000,  0.0381154000000000 ]  - [   0.0019776300000000,  0.0023431700000000,  0.0030677300000000 ]  - [  -0.0019776300000000,  0.0023431700000000,  0.0030677300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007123400000000 ]  - [   0.0006817700000000,  0.0000000000000000,  0.0026581300000000 ]  - [  -0.0006817700000000,  0.0000000000000000,  0.0026581300000000 ]  - [   0.0000000000000000, -0.0000021000000000,  0.0008165900000000 ]  - [  -0.0000727600000000,  0.0000223100000000,  0.0009553200000000 ]  - [   0.0000727600000000,  0.0000223100000000,  0.0009553200000000 ]  - [   0.0000000000000000,  0.0000021000000000,  0.0008165900000000 ]  - [  -0.0000727600000000, -0.0000223100000000,  0.0009553200000000 ]  - [   0.0000727600000000, -0.0000223100000000,  0.0009553200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010140500000000 ]  - [  -0.0000300700000000,  0.0000000000000000,  0.0010207100000000 ]  - [   0.0000300700000000,  0.0000000000000000,  0.0010207100000000 ]  - [   0.0000000000000000,  0.0018378200000000, -0.0033486500000000 ]  - [  -0.0004139600000000,  0.0005412600000000, -0.0023790000000000 ]  - [   0.0004139600000000,  0.0005412600000000, -0.0023790000000000 ]  - [   0.0000000000000000, -0.0018378200000000, -0.0033486500000000 ]  - [  -0.0004139600000000, -0.0005412600000000, -0.0023790000000000 ]  - [   0.0004139600000000, -0.0005412600000000, -0.0023790000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027632600000000 ]  - [   0.0001152600000000,  0.0000000000000000, -0.0025956500000000 ]  - [  -0.0001152600000000,  0.0000000000000000, -0.0025956500000000 ]  - [   0.0000000000000000, -0.0018888700000000, -0.0034404000000000 ]  - [   0.0009156100000000, -0.0003367000000000, -0.0026707600000000 ]  - [  -0.0009156100000000, -0.0003367000000000, -0.0026707600000000 ]  - [   0.0000000000000000,  0.0018888700000000, -0.0034404000000000 ]  - [   0.0009156100000000,  0.0003367000000000, -0.0026707600000000 ]  - [  -0.0009156100000000,  0.0003367000000000, -0.0026707600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018156000000000 ]  - [   0.0002849300000000,  0.0000000000000000, -0.0018169100000000 ]  - [  -0.0002849300000000,  0.0000000000000000, -0.0018169100000000 ]  - [   0.0080501100000000,  0.0080501100000000,  0.0080751400000000 ]  - [  -0.0080501100000000,  0.0080501100000000,  0.0080751400000000 ]  - [   0.0000000000000000,  0.0006817600000000,  0.0001068600000000 ]  - [   0.0080501100000000, -0.0080501100000000,  0.0080751400000000 ]  - [  -0.0080501100000000, -0.0080501100000000,  0.0080751400000000 ]  - [   0.0000000000000000, -0.0006817600000000,  0.0001068600000000 ]  - [   0.0006817600000000,  0.0000000000000000,  0.0001068600000000 ]  - [  -0.0006817600000000,  0.0000000000000000,  0.0001068600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006231300000000 ]  - [  -0.0004018100000000, -0.0004018100000000,  0.0023753900000000 ]  - [   0.0004018100000000, -0.0004018100000000,  0.0023753900000000 ]  - [   0.0000000000000000, -0.0000247000000000,  0.0017479300000000 ]  - [  -0.0004018100000000,  0.0004018100000000,  0.0023753900000000 ]  - [   0.0004018100000000,  0.0004018100000000,  0.0023753900000000 ]  - [   0.0000000000000000,  0.0000247000000000,  0.0017479300000000 ]  - [  -0.0000247000000000,  0.0000000000000000,  0.0017479300000000 ]  - [   0.0000247000000000,  0.0000000000000000,  0.0017479300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017670900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1611030500000000 ]  - [  -0.0052771300000000,  0.0000000000000000, -0.0115733500000000 ]  - [   0.0052771300000000,  0.0000000000000000, -0.0115733500000000 ]  - [   0.0000000000000000, -0.0052771300000000, -0.0115733500000000 ]  - [  -0.0002461200000000, -0.0002461200000000, -0.0078991400000000 ]  - [   0.0002461200000000, -0.0002461200000000, -0.0078991400000000 ]  - [   0.0000000000000000,  0.0052771300000000, -0.0115733500000000 ]  - [  -0.0002461200000000,  0.0002461200000000, -0.0078991400000000 ]  - [   0.0002461200000000,  0.0002461200000000, -0.0078991400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0036736300000000 ]  - [   0.0000848400000000,  0.0000000000000000, -0.0035802000000000 ]  - [  -0.0000848400000000,  0.0000000000000000, -0.0035802000000000 ]  - [   0.0000000000000000,  0.0000848400000000, -0.0035802000000000 ]  - [   0.0000255600000000,  0.0000255600000000, -0.0036460700000000 ]  - [  -0.0000255600000000,  0.0000255600000000, -0.0036460700000000 ]  - [   0.0000000000000000, -0.0000848400000000, -0.0035802000000000 ]  - [   0.0000255600000000, -0.0000255600000000, -0.0036460700000000 ]  - [  -0.0000255600000000, -0.0000255600000000, -0.0036460700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0125947400000000 ]  - [   0.0025574300000000,  0.0000000000000000,  0.0051897100000000 ]  - [  -0.0025574300000000,  0.0000000000000000,  0.0051897100000000 ]  - [   0.0000000000000000,  0.0025574300000000,  0.0051897100000000 ]  - [   0.0013325800000000,  0.0013325800000000,  0.0049236000000000 ]  - [  -0.0013325800000000,  0.0013325800000000,  0.0049236000000000 ]  - [   0.0000000000000000, -0.0025574300000000,  0.0051897100000000 ]  - [   0.0013325800000000, -0.0013325800000000,  0.0049236000000000 ]  - [  -0.0013325800000000, -0.0013325800000000,  0.0049236000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0091681400000000 ]  - [  -0.0010590300000000,  0.0000000000000000,  0.0059046500000000 ]  - [   0.0010590300000000,  0.0000000000000000,  0.0059046500000000 ]  - [   0.0000000000000000, -0.0010590300000000,  0.0059046500000000 ]  - [  -0.0004498200000000, -0.0004498200000000,  0.0055660400000000 ]  - [   0.0004498200000000, -0.0004498200000000,  0.0055660400000000 ]  - [   0.0000000000000000,  0.0010590300000000,  0.0059046500000000 ]  - [  -0.0004498200000000,  0.0004498200000000,  0.0055660400000000 ]  - [   0.0004498200000000,  0.0004498200000000,  0.0055660400000000 ]  - [   0.0013130500000000,  0.0013130500000000, -0.0000933200000000 ]  - [  -0.0013130500000000,  0.0013130500000000, -0.0000933200000000 ]  - [   0.0000000000000000, -0.0007334400000000,  0.0017641000000000 ]  - [   0.0013130500000000, -0.0013130500000000, -0.0000933200000000 ]  - [  -0.0013130500000000, -0.0013130500000000, -0.0000933200000000 ]  - [   0.0000000000000000,  0.0007334400000000,  0.0017641000000000 ]  - [  -0.0007334400000000,  0.0000000000000000,  0.0017641000000000 ]  - [   0.0007334400000000,  0.0000000000000000,  0.0017641000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010698700000000 ]  - [  -0.0000342600000000, -0.0000342600000000, -0.0007332100000000 ]  - [   0.0000342600000000, -0.0000342600000000, -0.0007332100000000 ]  - [   0.0000000000000000, -0.0001002000000000, -0.0007088800000000 ]  - [  -0.0000342600000000,  0.0000342600000000, -0.0007332100000000 ]  - [   0.0000342600000000,  0.0000342600000000, -0.0007332100000000 ]  - [   0.0000000000000000,  0.0001002000000000, -0.0007088800000000 ]  - [  -0.0001002000000000,  0.0000000000000000, -0.0007088800000000 ]  - [   0.0001002000000000,  0.0000000000000000, -0.0007088800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005953200000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0247844100000000,  0.0000000000000000, -0.0351014500000000 ]  - [   0.0247844100000000,  0.0000000000000000, -0.0351014500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029221000000000 ]  - [   0.0023028700000000, -0.0019617500000000,  0.0005673400000000 ]  - [  -0.0023028700000000, -0.0019617500000000,  0.0005673400000000 ]  - [   0.0000000000000000, -0.0006757500000000,  0.0009665000000000 ]  - [   0.0023028700000000,  0.0019617500000000,  0.0005673400000000 ]  - [  -0.0023028700000000,  0.0019617500000000,  0.0005673400000000 ]  - [   0.0000000000000000,  0.0006757500000000,  0.0009665000000000 ]  - [   0.0000013600000000,  0.0000000000000000,  0.0027906300000000 ]  - [  -0.0000013600000000,  0.0000000000000000,  0.0027906300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025892600000000 ]  - [  -0.0000222800000000,  0.0000720100000000,  0.0026507600000000 ]  - [   0.0000222800000000,  0.0000720100000000,  0.0026507600000000 ]  - [   0.0000000000000000,  0.0000300300000000,  0.0025886800000000 ]  - [  -0.0000222800000000, -0.0000720100000000,  0.0026507600000000 ]  - [   0.0000222800000000, -0.0000720100000000,  0.0026507600000000 ]  - [   0.0000000000000000, -0.0000300300000000,  0.0025886800000000 ]  - [  -0.0018140200000000,  0.0000000000000000, -0.0002872000000000 ]  - [   0.0018140200000000,  0.0000000000000000, -0.0002872000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008604300000000 ]  - [  -0.0005361900000000,  0.0004096900000000, -0.0012423800000000 ]  - [   0.0005361900000000,  0.0004096900000000, -0.0012423800000000 ]  - [   0.0000000000000000, -0.0001176500000000, -0.0010197200000000 ]  - [  -0.0005361900000000, -0.0004096900000000, -0.0012423800000000 ]  - [   0.0005361900000000, -0.0004096900000000, -0.0012423800000000 ]  - [   0.0000000000000000,  0.0001176500000000, -0.0010197200000000 ]  - [   0.0019200900000000,  0.0000000000000000, -0.0001834100000000 ]  - [  -0.0019200900000000,  0.0000000000000000, -0.0001834100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018050100000000 ]  - [   0.0003347100000000, -0.0009120200000000, -0.0009578300000000 ]  - [  -0.0003347100000000, -0.0009120200000000, -0.0009578300000000 ]  - [   0.0000000000000000, -0.0002846100000000, -0.0018015500000000 ]  - [   0.0003347100000000,  0.0009120200000000, -0.0009578300000000 ]  - [  -0.0003347100000000,  0.0009120200000000, -0.0009578300000000 ]  - [   0.0000000000000000,  0.0002846100000000, -0.0018015500000000 ]  - [   0.0000000000000000, -0.0247844100000000, -0.0351014500000000 ]  - [  -0.0019617500000000,  0.0023028700000000,  0.0005673400000000 ]  - [   0.0019617500000000,  0.0023028700000000,  0.0005673400000000 ]  - [   0.0000000000000000,  0.0247844100000000, -0.0351014500000000 ]  - [  -0.0019617500000000, -0.0023028700000000,  0.0005673400000000 ]  - [   0.0019617500000000, -0.0023028700000000,  0.0005673400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029221000000000 ]  - [  -0.0006757500000000,  0.0000000000000000,  0.0009665000000000 ]  - [   0.0006757500000000,  0.0000000000000000,  0.0009665000000000 ]  - [   0.0000000000000000,  0.0000013600000000,  0.0027906300000000 ]  - [   0.0000720100000000, -0.0000222800000000,  0.0026507600000000 ]  - [  -0.0000720100000000, -0.0000222800000000,  0.0026507600000000 ]  - [   0.0000000000000000, -0.0000013600000000,  0.0027906300000000 ]  - [   0.0000720100000000,  0.0000222800000000,  0.0026507600000000 ]  - [  -0.0000720100000000,  0.0000222800000000,  0.0026507600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025892600000000 ]  - [   0.0000300300000000,  0.0000000000000000,  0.0025886800000000 ]  - [  -0.0000300300000000,  0.0000000000000000,  0.0025886800000000 ]  - [   0.0000000000000000, -0.0018140200000000, -0.0002872000000000 ]  - [   0.0004096900000000, -0.0005361900000000, -0.0012423800000000 ]  - [  -0.0004096900000000, -0.0005361900000000, -0.0012423800000000 ]  - [   0.0000000000000000,  0.0018140200000000, -0.0002872000000000 ]  - [   0.0004096900000000,  0.0005361900000000, -0.0012423800000000 ]  - [  -0.0004096900000000,  0.0005361900000000, -0.0012423800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008604300000000 ]  - [  -0.0001176500000000,  0.0000000000000000, -0.0010197200000000 ]  - [   0.0001176500000000,  0.0000000000000000, -0.0010197200000000 ]  - [   0.0000000000000000,  0.0019200900000000, -0.0001834100000000 ]  - [  -0.0009120200000000,  0.0003347100000000, -0.0009578300000000 ]  - [   0.0009120200000000,  0.0003347100000000, -0.0009578300000000 ]  - [   0.0000000000000000, -0.0019200900000000, -0.0001834100000000 ]  - [  -0.0009120200000000, -0.0003347100000000, -0.0009578300000000 ]  - [   0.0009120200000000, -0.0003347100000000, -0.0009578300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018050100000000 ]  - [  -0.0002846100000000,  0.0000000000000000, -0.0018015500000000 ]  - [   0.0002846100000000,  0.0000000000000000, -0.0018015500000000 ]  - [  -0.0080978000000000, -0.0080978000000000, -0.0080415800000000 ]  - [   0.0080978000000000, -0.0080978000000000, -0.0080415800000000 ]  - [   0.0000000000000000, -0.0006784600000000, -0.0000917700000000 ]  - [  -0.0080978000000000,  0.0080978000000000, -0.0080415800000000 ]  - [   0.0080978000000000,  0.0080978000000000, -0.0080415800000000 ]  - [   0.0000000000000000,  0.0006784600000000, -0.0000917700000000 ]  - [  -0.0006784600000000,  0.0000000000000000, -0.0000917700000000 ]  - [   0.0006784600000000,  0.0000000000000000, -0.0000917700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006286500000000 ]  - [   0.0003948100000000,  0.0003948100000000, -0.0023626800000000 ]  - [  -0.0003948100000000,  0.0003948100000000, -0.0023626800000000 ]  - [   0.0000000000000000,  0.0000208700000000, -0.0017443200000000 ]  - [   0.0003948100000000, -0.0003948100000000, -0.0023626800000000 ]  - [  -0.0003948100000000, -0.0003948100000000, -0.0023626800000000 ]  - [   0.0000000000000000, -0.0000208700000000, -0.0017443200000000 ]  - [   0.0000208700000000,  0.0000000000000000, -0.0017443200000000 ]  - [  -0.0000208700000000,  0.0000000000000000, -0.0017443200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017437200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1543443900000000 ]  - [   0.0051920100000000,  0.0000000000000000,  0.0021486700000000 ]  - [  -0.0051920100000000,  0.0000000000000000,  0.0021486700000000 ]  - [   0.0000000000000000,  0.0051920100000000,  0.0021486700000000 ]  - [   0.0002409200000000,  0.0002409200000000, -0.0014535600000000 ]  - [  -0.0002409200000000,  0.0002409200000000, -0.0014535600000000 ]  - [   0.0000000000000000, -0.0051920100000000,  0.0021486700000000 ]  - [   0.0002409200000000, -0.0002409200000000, -0.0014535600000000 ]  - [  -0.0002409200000000, -0.0002409200000000, -0.0014535600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056392300000000 ]  - [  -0.0000882000000000,  0.0000000000000000, -0.0057334600000000 ]  - [   0.0000882000000000,  0.0000000000000000, -0.0057334600000000 ]  - [   0.0000000000000000, -0.0000882000000000, -0.0057334600000000 ]  - [  -0.0000236300000000, -0.0000236300000000, -0.0056705000000000 ]  - [   0.0000236300000000, -0.0000236300000000, -0.0056705000000000 ]  - [   0.0000000000000000,  0.0000882000000000, -0.0057334600000000 ]  - [  -0.0000236300000000,  0.0000236300000000, -0.0056705000000000 ]  - [   0.0000236300000000,  0.0000236300000000, -0.0056705000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031712700000000 ]  - [  -0.0025349400000000,  0.0000000000000000,  0.0041369600000000 ]  - [   0.0025349400000000,  0.0000000000000000,  0.0041369600000000 ]  - [   0.0000000000000000, -0.0025349400000000,  0.0041369600000000 ]  - [  -0.0013287000000000, -0.0013287000000000,  0.0044002300000000 ]  - [   0.0013287000000000, -0.0013287000000000,  0.0044002300000000 ]  - [   0.0000000000000000,  0.0025349400000000,  0.0041369600000000 ]  - [  -0.0013287000000000,  0.0013287000000000,  0.0044002300000000 ]  - [   0.0013287000000000,  0.0013287000000000,  0.0044002300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001245500000000 ]  - [   0.0010608300000000,  0.0000000000000000,  0.0034325400000000 ]  - [  -0.0010608300000000,  0.0000000000000000,  0.0034325400000000 ]  - [   0.0000000000000000,  0.0010608300000000,  0.0034325400000000 ]  - [   0.0004461300000000,  0.0004461300000000,  0.0037655900000000 ]  - [  -0.0004461300000000,  0.0004461300000000,  0.0037655900000000 ]  - [   0.0000000000000000, -0.0010608300000000,  0.0034325400000000 ]  - [   0.0004461300000000, -0.0004461300000000,  0.0037655900000000 ]  - [  -0.0004461300000000, -0.0004461300000000,  0.0037655900000000 ]  - [  -0.0013030300000000, -0.0013030300000000,  0.0001032300000000 ]  - [   0.0013030300000000, -0.0013030300000000,  0.0001032300000000 ]  - [   0.0000000000000000,  0.0007350200000000, -0.0017488600000000 ]  - [  -0.0013030300000000,  0.0013030300000000,  0.0001032300000000 ]  - [   0.0013030300000000,  0.0013030300000000,  0.0001032300000000 ]  - [   0.0000000000000000, -0.0007350200000000, -0.0017488600000000 ]  - [   0.0007350200000000,  0.0000000000000000, -0.0017488600000000 ]  - [  -0.0007350200000000,  0.0000000000000000, -0.0017488600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010527600000000 ]  - [   0.0000338700000000,  0.0000338700000000,  0.0007261700000000 ]  - [  -0.0000338700000000,  0.0000338700000000,  0.0007261700000000 ]  - [   0.0000000000000000,  0.0001009800000000,  0.0007024700000000 ]  - [   0.0000338700000000, -0.0000338700000000,  0.0007261700000000 ]  - [  -0.0000338700000000, -0.0000338700000000,  0.0007261700000000 ]  - [   0.0000000000000000, -0.0001009800000000,  0.0007024700000000 ]  - [   0.0001009800000000,  0.0000000000000000,  0.0007024700000000 ]  - [  -0.0001009800000000,  0.0000000000000000,  0.0007024700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005880400000000 ]- atom:  127  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0020139400000000, -0.0000083600000000,  0.0018161700000000 ]  - [   0.0026287900000000, -0.0001637800000000,  0.0008616000000000 ]  - [   0.0026252800000000,  0.0001599400000000,  0.0027415000000000 ]  - [  -0.0014770900000000,  0.0000000000000000,  0.0018062200000000 ]  - [   0.0007455400000000,  0.0000000000000000,  0.0020212100000000 ]  - [   0.0007467300000000,  0.0000000000000000,  0.0015918000000000 ]  - [  -0.0020139400000000,  0.0000083600000000,  0.0018161700000000 ]  - [   0.0026287900000000,  0.0001637800000000,  0.0008616000000000 ]  - [   0.0026252800000000, -0.0001599400000000,  0.0027415000000000 ]  - [  -0.0001772900000000, -0.0000002100000000,  0.0018034400000000 ]  - [   0.0000364100000000,  0.0000531200000000,  0.0021807300000000 ]  - [   0.0000370300000000, -0.0000522500000000,  0.0014288100000000 ]  - [  -0.0001885300000000,  0.0000000000000000,  0.0018056700000000 ]  - [   0.0001042800000000,  0.0000000000000000,  0.0020160500000000 ]  - [   0.0001043200000000,  0.0000000000000000,  0.0015964700000000 ]  - [  -0.0001772900000000,  0.0000002100000000,  0.0018034400000000 ]  - [   0.0000364100000000, -0.0000531200000000,  0.0021807300000000 ]  - [   0.0000370300000000,  0.0000522500000000,  0.0014288100000000 ]  - [  -0.0020139400000000, -0.0000083600000000, -0.0018161700000000 ]  - [   0.0026287900000000, -0.0001637800000000, -0.0008616000000000 ]  - [   0.0026252800000000,  0.0001599400000000, -0.0027415000000000 ]  - [  -0.0014770900000000,  0.0000000000000000, -0.0018062200000000 ]  - [   0.0007455400000000,  0.0000000000000000, -0.0020212100000000 ]  - [   0.0007467300000000,  0.0000000000000000, -0.0015918000000000 ]  - [  -0.0020139400000000,  0.0000083600000000, -0.0018161700000000 ]  - [   0.0026287900000000,  0.0001637800000000, -0.0008616000000000 ]  - [   0.0026252800000000, -0.0001599400000000, -0.0027415000000000 ]  - [  -0.0001772900000000, -0.0000002100000000, -0.0018034400000000 ]  - [   0.0000364100000000,  0.0000531200000000, -0.0021807300000000 ]  - [   0.0000370300000000, -0.0000522500000000, -0.0014288100000000 ]  - [  -0.0001885300000000,  0.0000000000000000, -0.0018056700000000 ]  - [   0.0001042800000000,  0.0000000000000000, -0.0020160500000000 ]  - [   0.0001043200000000,  0.0000000000000000, -0.0015964700000000 ]  - [  -0.0001772900000000,  0.0000002100000000, -0.0018034400000000 ]  - [   0.0000364100000000, -0.0000531200000000, -0.0021807300000000 ]  - [   0.0000370300000000,  0.0000522500000000, -0.0014288100000000 ]  - [   0.0003518700000000,  0.0000000000000000,  0.0005372400000000 ]  - [   0.0008012600000000,  0.0000000000000000,  0.0018074100000000 ]  - [   0.0003590600000000,  0.0000000000000000,  0.0030680200000000 ]  - [  -0.0004138100000000,  0.0023453700000000,  0.0003408300000000 ]  - [   0.0004910900000000,  0.0000024600000000,  0.0018032400000000 ]  - [  -0.0004104300000000, -0.0023289800000000,  0.0032632600000000 ]  - [  -0.0004138100000000, -0.0023453700000000,  0.0003408300000000 ]  - [   0.0004910900000000, -0.0000024600000000,  0.0018032400000000 ]  - [  -0.0004104300000000,  0.0023289800000000,  0.0032632600000000 ]  - [  -0.0001573200000000,  0.0000000000000000,  0.0019820100000000 ]  - [   0.0003733500000000,  0.0000000000000000,  0.0018029100000000 ]  - [  -0.0001573200000000,  0.0000000000000000,  0.0016226400000000 ]  - [  -0.0001275500000000, -0.0000646800000000,  0.0020276600000000 ]  - [   0.0002633100000000, -0.0000000800000000,  0.0018048300000000 ]  - [  -0.0001279500000000,  0.0000639400000000,  0.0015851100000000 ]  - [  -0.0001275500000000,  0.0000646800000000,  0.0020276600000000 ]  - [   0.0002633100000000,  0.0000000800000000,  0.0018048300000000 ]  - [  -0.0001279500000000, -0.0000639400000000,  0.0015851100000000 ]  - [   0.0003518700000000,  0.0000000000000000, -0.0005372400000000 ]  - [   0.0008012600000000,  0.0000000000000000, -0.0018074100000000 ]  - [   0.0003590600000000,  0.0000000000000000, -0.0030680200000000 ]  - [  -0.0004138100000000,  0.0023453700000000, -0.0003408300000000 ]  - [   0.0004910900000000,  0.0000024600000000, -0.0018032400000000 ]  - [  -0.0004104300000000, -0.0023289800000000, -0.0032632600000000 ]  - [  -0.0004138100000000, -0.0023453700000000, -0.0003408300000000 ]  - [   0.0004910900000000, -0.0000024600000000, -0.0018032400000000 ]  - [  -0.0004104300000000,  0.0023289800000000, -0.0032632600000000 ]  - [  -0.0001573200000000,  0.0000000000000000, -0.0019820100000000 ]  - [   0.0003733500000000,  0.0000000000000000, -0.0018029100000000 ]  - [  -0.0001573200000000,  0.0000000000000000, -0.0016226400000000 ]  - [  -0.0001275500000000, -0.0000646800000000, -0.0020276600000000 ]  - [   0.0002633100000000, -0.0000000800000000, -0.0018048300000000 ]  - [  -0.0001279500000000,  0.0000639400000000, -0.0015851100000000 ]  - [  -0.0001275500000000,  0.0000646800000000, -0.0020276600000000 ]  - [   0.0002633100000000,  0.0000000800000000, -0.0018048300000000 ]  - [  -0.0001279500000000, -0.0000639400000000, -0.0015851100000000 ]  - [   0.0010989200000000,  0.0000000000000000, -0.0000040700000000 ]  - [  -0.0005376900000000,  0.0000000000000000,  0.0009125800000000 ]  - [  -0.0005485000000000,  0.0000000000000000, -0.0009109300000000 ]  - [   0.0013383300000000, -0.0000000400000000,  0.0000004800000000 ]  - [  -0.0006408300000000, -0.0003341800000000,  0.0007065900000000 ]  - [  -0.0006386500000000,  0.0003375600000000, -0.0007057900000000 ]  - [   0.0013383300000000,  0.0000000400000000,  0.0000004800000000 ]  - [  -0.0006408300000000,  0.0003341800000000,  0.0007065900000000 ]  - [  -0.0006386500000000, -0.0003375600000000, -0.0007057900000000 ]  - [   0.0010989200000000,  0.0000000000000000,  0.0000040700000000 ]  - [  -0.0005376900000000,  0.0000000000000000, -0.0009125800000000 ]  - [  -0.0005485000000000,  0.0000000000000000,  0.0009109300000000 ]  - [   0.0013383300000000, -0.0000000400000000, -0.0000004800000000 ]  - [  -0.0006408300000000, -0.0003341800000000, -0.0007065900000000 ]  - [  -0.0006386500000000,  0.0003375600000000,  0.0007057900000000 ]  - [   0.0013383300000000,  0.0000000400000000, -0.0000004800000000 ]  - [  -0.0006408300000000,  0.0003341800000000, -0.0007065900000000 ]  - [  -0.0006386500000000, -0.0003375600000000,  0.0007057900000000 ]  - [   0.0014146500000000, -0.0003644300000000, -0.0033790200000000 ]  - [  -0.0024727100000000, -0.0000059300000000, -0.0046605600000000 ]  - [   0.0013596700000000,  0.0004181200000000, -0.0059946000000000 ]  - [   0.0004415900000000,  0.0000000000000000, -0.0054016200000000 ]  - [  -0.0008858300000000,  0.0000000000000000, -0.0046632300000000 ]  - [   0.0004339900000000,  0.0000000000000000, -0.0039336700000000 ]  - [   0.0014146500000000,  0.0003644300000000, -0.0033790200000000 ]  - [  -0.0024727100000000,  0.0000059300000000, -0.0046605600000000 ]  - [   0.0013596700000000, -0.0004181200000000, -0.0059946000000000 ]  - [   0.0001865400000000, -0.0000042400000000, -0.0046954400000000 ]  - [  -0.0003569300000000,  0.0000002600000000, -0.0046624500000000 ]  - [   0.0001852000000000,  0.0000073400000000, -0.0046277600000000 ]  - [   0.0001260900000000,  0.0000000000000000, -0.0047628400000000 ]  - [  -0.0002540900000000,  0.0000000000000000, -0.0046626200000000 ]  - [   0.0001240500000000,  0.0000000000000000, -0.0045615100000000 ]  - [   0.0001865400000000,  0.0000042400000000, -0.0046954400000000 ]  - [  -0.0003569300000000, -0.0000002600000000, -0.0046624500000000 ]  - [   0.0001852000000000, -0.0000073400000000, -0.0046277600000000 ]  - [   0.0014146500000000, -0.0003644300000000,  0.0033790200000000 ]  - [  -0.0024727100000000, -0.0000059300000000,  0.0046605600000000 ]  - [   0.0013596700000000,  0.0004181200000000,  0.0059946000000000 ]  - [   0.0004415900000000,  0.0000000000000000,  0.0054016200000000 ]  - [  -0.0008858300000000,  0.0000000000000000,  0.0046632300000000 ]  - [   0.0004339900000000,  0.0000000000000000,  0.0039336700000000 ]  - [   0.0014146500000000,  0.0003644300000000,  0.0033790200000000 ]  - [  -0.0024727100000000,  0.0000059300000000,  0.0046605600000000 ]  - [   0.0013596700000000, -0.0004181200000000,  0.0059946000000000 ]  - [   0.0001865400000000, -0.0000042400000000,  0.0046954400000000 ]  - [  -0.0003569300000000,  0.0000002600000000,  0.0046624500000000 ]  - [   0.0001852000000000,  0.0000073400000000,  0.0046277600000000 ]  - [   0.0001260900000000,  0.0000000000000000,  0.0047628400000000 ]  - [  -0.0002540900000000,  0.0000000000000000,  0.0046626200000000 ]  - [   0.0001240500000000,  0.0000000000000000,  0.0045615100000000 ]  - [   0.0001865400000000,  0.0000042400000000,  0.0046954400000000 ]  - [  -0.0003569300000000, -0.0000002600000000,  0.0046624500000000 ]  - [   0.0001852000000000, -0.0000073400000000,  0.0046277600000000 ]  - [  -0.0242938000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0036165000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0035261400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002916400000000, -0.0000110400000000,  0.0000000000000000 ]  - [   0.0004603400000000,  0.0002608500000000,  0.0000000000000000 ]  - [   0.0004618000000000, -0.0002634100000000,  0.0000000000000000 ]  - [  -0.0002916400000000,  0.0000110400000000,  0.0000000000000000 ]  - [   0.0004603400000000, -0.0002608500000000,  0.0000000000000000 ]  - [   0.0004618000000000,  0.0002634100000000,  0.0000000000000000 ]  - [  -0.0001993100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000631500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000630500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000917500000000, -0.0000003500000000,  0.0000000000000000 ]  - [   0.0000481500000000,  0.0000058200000000,  0.0000000000000000 ]  - [   0.0000481000000000, -0.0000064500000000,  0.0000000000000000 ]  - [  -0.0000917500000000,  0.0000003500000000,  0.0000000000000000 ]  - [   0.0000481500000000, -0.0000058200000000,  0.0000000000000000 ]  - [   0.0000481000000000,  0.0000064500000000,  0.0000000000000000 ]- atom:  127  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0016999900000000,  0.0033592900000000 ]  - [  -0.0023743400000000,  0.0000666600000000,  0.0029686500000000 ]  - [   0.0023743400000000,  0.0000666600000000,  0.0029686500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013081400000000 ]  - [  -0.0005302600000000,  0.0000000000000000,  0.0015032800000000 ]  - [   0.0005302600000000,  0.0000000000000000,  0.0015032800000000 ]  - [   0.0000000000000000,  0.0016999900000000,  0.0033592900000000 ]  - [  -0.0023743400000000, -0.0000666600000000,  0.0029686500000000 ]  - [   0.0023743400000000, -0.0000666600000000,  0.0029686500000000 ]  - [   0.0000000000000000,  0.0000756900000000,  0.0025287000000000 ]  - [   0.0000022700000000,  0.0001295600000000,  0.0023866900000000 ]  - [  -0.0000022700000000,  0.0001295600000000,  0.0023866900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024436700000000 ]  - [   0.0000861400000000,  0.0000000000000000,  0.0021739700000000 ]  - [  -0.0000861400000000,  0.0000000000000000,  0.0021739700000000 ]  - [   0.0000000000000000, -0.0000756900000000,  0.0025287000000000 ]  - [   0.0000022700000000, -0.0001295600000000,  0.0023866900000000 ]  - [  -0.0000022700000000, -0.0001295600000000,  0.0023866900000000 ]  - [   0.0000000000000000,  0.0017240900000000, -0.0002318800000000 ]  - [   0.0023809100000000, -0.0000687800000000, -0.0006408900000000 ]  - [  -0.0023809100000000, -0.0000687800000000, -0.0006408900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023092100000000 ]  - [   0.0005286000000000,  0.0000000000000000, -0.0021115900000000 ]  - [  -0.0005286000000000,  0.0000000000000000, -0.0021115900000000 ]  - [   0.0000000000000000, -0.0017240900000000, -0.0002318800000000 ]  - [   0.0023809100000000,  0.0000687800000000, -0.0006408900000000 ]  - [  -0.0023809100000000,  0.0000687800000000, -0.0006408900000000 ]  - [   0.0000000000000000, -0.0000748200000000, -0.0010813800000000 ]  - [  -0.0000011300000000, -0.0001293600000000, -0.0012258700000000 ]  - [   0.0000011300000000, -0.0001293600000000, -0.0012258700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011752800000000 ]  - [  -0.0000854700000000,  0.0000000000000000, -0.0014381700000000 ]  - [   0.0000854700000000,  0.0000000000000000, -0.0014381700000000 ]  - [   0.0000000000000000,  0.0000748200000000, -0.0010813800000000 ]  - [  -0.0000011300000000,  0.0001293600000000, -0.0012258700000000 ]  - [   0.0000011300000000,  0.0001293600000000, -0.0012258700000000 ]  - [  -0.0016999900000000,  0.0000000000000000,  0.0033592900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013081400000000 ]  - [   0.0016999900000000,  0.0000000000000000,  0.0033592900000000 ]  - [   0.0000666600000000, -0.0023743400000000,  0.0029686500000000 ]  - [   0.0000000000000000, -0.0005302600000000,  0.0015032800000000 ]  - [  -0.0000666600000000, -0.0023743400000000,  0.0029686500000000 ]  - [   0.0000666600000000,  0.0023743400000000,  0.0029686500000000 ]  - [   0.0000000000000000,  0.0005302600000000,  0.0015032800000000 ]  - [  -0.0000666600000000,  0.0023743400000000,  0.0029686500000000 ]  - [   0.0000756900000000,  0.0000000000000000,  0.0025287000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024436700000000 ]  - [  -0.0000756900000000,  0.0000000000000000,  0.0025287000000000 ]  - [   0.0001295600000000,  0.0000022700000000,  0.0023866900000000 ]  - [   0.0000000000000000,  0.0000861400000000,  0.0021739700000000 ]  - [  -0.0001295600000000,  0.0000022700000000,  0.0023866900000000 ]  - [   0.0001295600000000, -0.0000022700000000,  0.0023866900000000 ]  - [   0.0000000000000000, -0.0000861400000000,  0.0021739700000000 ]  - [  -0.0001295600000000, -0.0000022700000000,  0.0023866900000000 ]  - [   0.0017240900000000,  0.0000000000000000, -0.0002318800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023092100000000 ]  - [  -0.0017240900000000,  0.0000000000000000, -0.0002318800000000 ]  - [  -0.0000687800000000,  0.0023809100000000, -0.0006408900000000 ]  - [   0.0000000000000000,  0.0005286000000000, -0.0021115900000000 ]  - [   0.0000687800000000,  0.0023809100000000, -0.0006408900000000 ]  - [  -0.0000687800000000, -0.0023809100000000, -0.0006408900000000 ]  - [   0.0000000000000000, -0.0005286000000000, -0.0021115900000000 ]  - [   0.0000687800000000, -0.0023809100000000, -0.0006408900000000 ]  - [  -0.0000748200000000,  0.0000000000000000, -0.0010813800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011752800000000 ]  - [   0.0000748200000000,  0.0000000000000000, -0.0010813800000000 ]  - [  -0.0001293600000000, -0.0000011300000000, -0.0012258700000000 ]  - [   0.0000000000000000, -0.0000854700000000, -0.0014381700000000 ]  - [   0.0001293600000000, -0.0000011300000000, -0.0012258700000000 ]  - [  -0.0001293600000000,  0.0000011300000000, -0.0012258700000000 ]  - [   0.0000000000000000,  0.0000854700000000, -0.0014381700000000 ]  - [   0.0001293600000000,  0.0000011300000000, -0.0012258700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025603400000000 ]  - [   0.0005787900000000,  0.0000000000000000, -0.0014317000000000 ]  - [  -0.0005787900000000,  0.0000000000000000, -0.0014317000000000 ]  - [   0.0000000000000000,  0.0005787900000000, -0.0014317000000000 ]  - [   0.0005327600000000,  0.0005327600000000, -0.0009253100000000 ]  - [  -0.0005327600000000,  0.0005327600000000, -0.0009253100000000 ]  - [   0.0000000000000000, -0.0005787900000000, -0.0014317000000000 ]  - [   0.0005327600000000, -0.0005327600000000, -0.0009253100000000 ]  - [  -0.0005327600000000, -0.0005327600000000, -0.0009253100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0025593300000000 ]  - [  -0.0005847500000000,  0.0000000000000000, -0.0014322100000000 ]  - [   0.0005847500000000,  0.0000000000000000, -0.0014322100000000 ]  - [   0.0000000000000000, -0.0005847500000000, -0.0014322100000000 ]  - [  -0.0005339200000000, -0.0005339200000000, -0.0009234700000000 ]  - [   0.0005339200000000, -0.0005339200000000, -0.0009234700000000 ]  - [   0.0000000000000000,  0.0005847500000000, -0.0014322100000000 ]  - [  -0.0005339200000000,  0.0005339200000000, -0.0009234700000000 ]  - [   0.0005339200000000,  0.0005339200000000, -0.0009234700000000 ]  - [   0.0014090600000000,  0.0014090600000000, -0.0047762700000000 ]  - [   0.0000000000000000,  0.0003036200000000, -0.0029076900000000 ]  - [  -0.0014090600000000,  0.0014090600000000, -0.0047762700000000 ]  - [   0.0003036200000000,  0.0000000000000000, -0.0029076900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035958500000000 ]  - [  -0.0003036200000000,  0.0000000000000000, -0.0029076900000000 ]  - [   0.0014090600000000, -0.0014090600000000, -0.0047762700000000 ]  - [   0.0000000000000000, -0.0003036200000000, -0.0029076900000000 ]  - [  -0.0014090600000000, -0.0014090600000000, -0.0047762700000000 ]  - [  -0.0000774900000000, -0.0000774900000000, -0.0053913000000000 ]  - [   0.0000000000000000, -0.0001247500000000, -0.0053651800000000 ]  - [   0.0000774900000000, -0.0000774900000000, -0.0053913000000000 ]  - [  -0.0001247500000000,  0.0000000000000000, -0.0053651800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0052523500000000 ]  - [   0.0001247500000000,  0.0000000000000000, -0.0053651800000000 ]  - [  -0.0000774900000000,  0.0000774900000000, -0.0053913000000000 ]  - [   0.0000000000000000,  0.0001247500000000, -0.0053651800000000 ]  - [   0.0000774900000000,  0.0000774900000000, -0.0053913000000000 ]  - [  -0.0013726400000000, -0.0013726400000000,  0.0045798200000000 ]  - [   0.0000000000000000, -0.0002998900000000,  0.0064198300000000 ]  - [   0.0013726400000000, -0.0013726400000000,  0.0045798200000000 ]  - [  -0.0002998900000000,  0.0000000000000000,  0.0064198300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057246000000000 ]  - [   0.0002998900000000,  0.0000000000000000,  0.0064198300000000 ]  - [  -0.0013726400000000,  0.0013726400000000,  0.0045798200000000 ]  - [   0.0000000000000000,  0.0002998900000000,  0.0064198300000000 ]  - [   0.0013726400000000,  0.0013726400000000,  0.0045798200000000 ]  - [   0.0000782700000000,  0.0000782700000000,  0.0039287800000000 ]  - [   0.0000000000000000,  0.0001205100000000,  0.0039568400000000 ]  - [  -0.0000782700000000,  0.0000782700000000,  0.0039287800000000 ]  - [   0.0001205100000000,  0.0000000000000000,  0.0039568400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040697200000000 ]  - [  -0.0001205100000000,  0.0000000000000000,  0.0039568400000000 ]  - [   0.0000782700000000, -0.0000782700000000,  0.0039287800000000 ]  - [   0.0000000000000000, -0.0001205100000000,  0.0039568400000000 ]  - [  -0.0000782700000000, -0.0000782700000000,  0.0039287800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0214483700000000 ]  - [  -0.0000089900000000,  0.0000000000000000, -0.0009768500000000 ]  - [   0.0000089900000000,  0.0000000000000000, -0.0009768500000000 ]  - [   0.0000000000000000, -0.0000089900000000, -0.0009768500000000 ]  - [   0.0000005700000000,  0.0000005700000000, -0.0012001000000000 ]  - [  -0.0000005700000000,  0.0000005700000000, -0.0012001000000000 ]  - [   0.0000000000000000,  0.0000089900000000, -0.0009768500000000 ]  - [   0.0000005700000000, -0.0000005700000000, -0.0012001000000000 ]  - [  -0.0000005700000000, -0.0000005700000000, -0.0012001000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005888000000000 ]  - [  -0.0000002800000000,  0.0000000000000000,  0.0004532300000000 ]  - [   0.0000002800000000,  0.0000000000000000,  0.0004532300000000 ]  - [   0.0000000000000000, -0.0000002800000000,  0.0004532300000000 ]  - [  -0.0000003300000000, -0.0000003300000000,  0.0004367900000000 ]  - [   0.0000003300000000, -0.0000003300000000,  0.0004367900000000 ]  - [   0.0000000000000000,  0.0000002800000000,  0.0004532300000000 ]  - [  -0.0000003300000000,  0.0000003300000000,  0.0004367900000000 ]  - [   0.0000003300000000,  0.0000003300000000,  0.0004367900000000 ]