# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dbc16be7-7f28-4e36-a475-982f520e2f5e/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 SF6 / Im-3m (229) / materials id 8560](https://mdr.nims.go.jp/datasets/9f3ebfb1-f7e7-4030-b441-a6adfcecda58)

## 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: "Im-3m"  number: 229  Hall_symbol: "-I 4 2 3"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -2.980528395000000,     2.980528395000000,     2.980528395000000 ] # a  - [     2.980528395000000,    -2.980528395000000,     2.980528395000000 ] # b  - [     2.980528395000000,     2.980528395000000,    -2.980528395000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.265968680000000,  0.000000000000000,  0.265968680000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.734031320000000,  0.000000000000000,  0.734031320000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.000000000000000,  0.734031320000000,  0.734031320000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.000000000000000,  0.265968680000000,  0.265968680000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.265968680000000,  0.265968680000000,  0.000000000000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.734031320000000,  0.734031320000000,  0.000000000000000 ]    mass: 18.998403  - symbol: S  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.167755489542988,     0.167755489542988 ] # a*  - [     0.167755489542988,     0.000000000000000,     0.167755489542988 ] # b*  - [     0.167755489542988,     0.167755489542988,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     5.961056790000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.961056790000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.961056790000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.500000000000000,  0.765968680000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.500000000000000,  0.234031320000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.234031320000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.265968680000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.765968680000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.234031320000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.000000000000000,  0.265968680000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.000000000000000,  0.734031320000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 9    coordinates: [  0.734031320000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 10    coordinates: [  0.765968680000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.265968680000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.734031320000000 ]    mass: 18.998403    reduced_to: 6  - symbol: S  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 13supercell:  lattice:  - [    11.922113580000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.922113580000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.922113580000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.250000000000000,  0.382984340000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.750000000000000,  0.382984340000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.250000000000000,  0.882984340000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.750000000000000,  0.882984340000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.250000000000000,  0.382984340000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 6    coordinates: [  0.750000000000000,  0.382984340000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 7    coordinates: [  0.250000000000000,  0.882984340000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.750000000000000,  0.882984340000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 9    coordinates: [  0.250000000000000,  0.117015660000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.750000000000000,  0.117015660000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.250000000000000,  0.617015660000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 12    coordinates: [  0.750000000000000,  0.617015660000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 13    coordinates: [  0.250000000000000,  0.117015660000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 14    coordinates: [  0.750000000000000,  0.117015660000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 15    coordinates: [  0.250000000000000,  0.617015660000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 16    coordinates: [  0.750000000000000,  0.617015660000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 17    coordinates: [  0.117015660000000,  0.250000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.617015660000000,  0.250000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.117015660000000,  0.750000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 20    coordinates: [  0.617015660000000,  0.750000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 21    coordinates: [  0.117015660000000,  0.250000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 22    coordinates: [  0.617015660000000,  0.250000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 23    coordinates: [  0.117015660000000,  0.750000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 24    coordinates: [  0.617015660000000,  0.750000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 25    coordinates: [  0.132984340000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.632984340000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 27    coordinates: [  0.132984340000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 28    coordinates: [  0.632984340000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 29    coordinates: [  0.132984340000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 30    coordinates: [  0.632984340000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 31    coordinates: [  0.132984340000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 32    coordinates: [  0.632984340000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 33    coordinates: [  0.250000000000000,  0.250000000000000,  0.382984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.750000000000000,  0.250000000000000,  0.382984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.250000000000000,  0.750000000000000,  0.382984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 36    coordinates: [  0.750000000000000,  0.750000000000000,  0.382984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 37    coordinates: [  0.250000000000000,  0.250000000000000,  0.882984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 38    coordinates: [  0.750000000000000,  0.250000000000000,  0.882984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 39    coordinates: [  0.250000000000000,  0.750000000000000,  0.882984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 40    coordinates: [  0.750000000000000,  0.750000000000000,  0.882984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 41    coordinates: [  0.250000000000000,  0.250000000000000,  0.117015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 42    coordinates: [  0.750000000000000,  0.250000000000000,  0.117015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 43    coordinates: [  0.250000000000000,  0.750000000000000,  0.117015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 44    coordinates: [  0.750000000000000,  0.750000000000000,  0.117015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 45    coordinates: [  0.250000000000000,  0.250000000000000,  0.617015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 46    coordinates: [  0.750000000000000,  0.250000000000000,  0.617015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 47    coordinates: [  0.250000000000000,  0.750000000000000,  0.617015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.617015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 49    coordinates: [  0.000000000000000,  0.132984340000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 50    coordinates: [  0.500000000000000,  0.132984340000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 51    coordinates: [  0.000000000000000,  0.632984340000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 52    coordinates: [  0.500000000000000,  0.632984340000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 53    coordinates: [  0.000000000000000,  0.132984340000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 54    coordinates: [  0.500000000000000,  0.132984340000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 55    coordinates: [  0.000000000000000,  0.632984340000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 56    coordinates: [  0.500000000000000,  0.632984340000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 57    coordinates: [  0.000000000000000,  0.367015660000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 58    coordinates: [  0.500000000000000,  0.367015660000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 59    coordinates: [  0.000000000000000,  0.867015660000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 60    coordinates: [  0.500000000000000,  0.867015660000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 61    coordinates: [  0.000000000000000,  0.367015660000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 62    coordinates: [  0.500000000000000,  0.367015660000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 63    coordinates: [  0.000000000000000,  0.867015660000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 64    coordinates: [  0.500000000000000,  0.867015660000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 65    coordinates: [  0.367015660000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 66    coordinates: [  0.867015660000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 67    coordinates: [  0.367015660000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 68    coordinates: [  0.867015660000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 69    coordinates: [  0.367015660000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 70    coordinates: [  0.867015660000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 71    coordinates: [  0.367015660000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 72    coordinates: [  0.867015660000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 73    coordinates: [  0.382984340000000,  0.250000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 74    coordinates: [  0.882984340000000,  0.250000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 75    coordinates: [  0.382984340000000,  0.750000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 76    coordinates: [  0.882984340000000,  0.750000000000000,  0.250000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 77    coordinates: [  0.382984340000000,  0.250000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 78    coordinates: [  0.882984340000000,  0.250000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 79    coordinates: [  0.382984340000000,  0.750000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 80    coordinates: [  0.882984340000000,  0.750000000000000,  0.750000000000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.132984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 82    coordinates: [  0.500000000000000,  0.000000000000000,  0.132984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 83    coordinates: [  0.000000000000000,  0.500000000000000,  0.132984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 84    coordinates: [  0.500000000000000,  0.500000000000000,  0.132984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.632984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.632984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.632984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 88    coordinates: [  0.500000000000000,  0.500000000000000,  0.632984340000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 89    coordinates: [  0.000000000000000,  0.000000000000000,  0.367015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 90    coordinates: [  0.500000000000000,  0.000000000000000,  0.367015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 91    coordinates: [  0.000000000000000,  0.500000000000000,  0.367015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 92    coordinates: [  0.500000000000000,  0.500000000000000,  0.367015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 93    coordinates: [  0.000000000000000,  0.000000000000000,  0.867015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 94    coordinates: [  0.500000000000000,  0.000000000000000,  0.867015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 95    coordinates: [  0.000000000000000,  0.500000000000000,  0.867015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 96    coordinates: [  0.500000000000000,  0.500000000000000,  0.867015660000000 ]    mass: 18.998403    reduced_to: 41  - symbol: S  # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 105    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 106    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 107    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 108    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 109    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 110    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 111    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 97  - symbol: S  # 112    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 97born_effective_charge:- # 1 (F)  - [ -0.439194360000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -1.021638310000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.439194360000000 ]- # 2 (F)  - [ -0.439194360000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -1.021638310000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -0.439194360000000 ]- # 3 (F)  - [ -1.021638310000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.439194360000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.439194360000000 ]- # 4 (F)  - [ -1.021638310000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.439194360000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.439194360000000 ]- # 5 (F)  - [ -0.439194360000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.439194360000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.021638310000000 ]- # 6 (F)  - [ -0.439194360000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.439194360000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000, -1.021638310000000 ]- # 7 (S)  - [  3.800054070000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.800054070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.800054070000000 ]dielectric_constant:  - [  1.711373560000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.711373560000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.711373560000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0863067400000000,  0.0006403700000000,  0.0000000000000000 ]  - [   0.0004858800000000,  0.0002671300000000,  0.0000000000000000 ]  - 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