# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4023c8d3-4fd7-4922-b842-62bb6d8e3e48/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 RbNa2Sb / Fm-3m (225) / materials id 975275](https://mdr.nims.go.jp/datasets/80661435-8362-4d35-96ad-257072bdd66d)

## 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: "Fm-3m"  number: 225  Hall_symbol: "-F 4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     0.000000000000000,     3.915531555000000,     3.915531555000000 ] # a  - [     3.915531555000000,     0.000000000000000,     3.915531555000000 ] # b  - [     3.915531555000000,     3.915531555000000,     0.000000000000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800  - symbol: Na # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 22.989769  - symbol: Na # 3    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 22.989769  - symbol: Sb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [    -0.127696582948366,     0.127696582948365,     0.127696582948366 ] # a*  - [     0.127696582948365,    -0.127696582948366,     0.127696582948366 ] # b*  - [     0.127696582948366,     0.127696582948366,    -0.127696582948366 ] # c*unit_cell:  lattice:  - [     7.831063110000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.831063110000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.831063110000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Na # 5    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 6    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 7    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 8    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 9    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 10    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Na # 11    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 5  - symbol: Na # 12    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 6  - symbol: Sb # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 13  - symbol: Sb # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 13supercell:  lattice:  - [    15.662126219999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.662126219999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.662126219999999 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 9    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 10    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 11    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 12    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 13    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 14    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 15    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 16    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 17    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 18    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 19    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 20    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 21    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 22    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 23    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 24    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 25    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 26    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 27    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 28    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 29    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 31    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Na # 33    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 34    coordinates: [  0.875000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 35    coordinates: [  0.375000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 36    coordinates: [  0.875000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 37    coordinates: [  0.375000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 38    coordinates: [  0.875000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 39    coordinates: [  0.375000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 40    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 41    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 42    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 43    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 44    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 45    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 46    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 47    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 48    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 49    coordinates: [  0.375000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 50    coordinates: [  0.875000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 51    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 52    coordinates: [  0.875000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 53    coordinates: [  0.375000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 54    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 55    coordinates: [  0.375000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 56    coordinates: [  0.875000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 57    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 58    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 59    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 60    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 61    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 62    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 63    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 64    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 65    coordinates: [  0.125000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 66    coordinates: [  0.625000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 67    coordinates: [  0.125000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 68    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 69    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 70    coordinates: [  0.625000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 71    coordinates: [  0.125000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 72    coordinates: [  0.625000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 73    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 74    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 75    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 76    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 77    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 78    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 79    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 80    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 81    coordinates: [  0.125000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 82    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 83    coordinates: [  0.125000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 84    coordinates: [  0.625000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 85    coordinates: [  0.125000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 86    coordinates: [  0.625000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 87    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 88    coordinates: [  0.625000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 89    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 90    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 91    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 92    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 93    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 94    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 95    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 96    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Sb # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 105    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 106    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 107    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 108    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 109    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 110    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 111    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 112    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 113    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 114    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 115    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 116    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 117    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 118    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 119    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 120    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 121    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 122    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 123    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 124    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 125    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 126    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 127    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 97  - symbol: Sb # 128    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 97born_effective_charge:- # 1 (Rb)  - [  0.987963080000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.987963080000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.987963080000000 ]- # 2 (Na)  - [  1.139492760000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.139492760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.139492760000000 ]- # 3 (Na)  - [  1.139492760000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.139492760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.139492760000000 ]- # 4 (Sb)  - [ -3.266948590000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.266948590000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -3.266948590000000 ]dielectric_constant:  - 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