# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c2b2eea9-e217-45fb-81be-314f10cfcb75/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 KNa2Sb / Fm-3m (225) / materials id 15724](https://mdr.nims.go.jp/datasets/57ae9b6c-f43e-4fad-a686-4d6d16e81811)

## 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,     3.848922135000000,     3.848922135000000 ] # a  - [     3.848922135000000,     0.000000000000000,     3.848922135000000 ] # b  - [     3.848922135000000,     3.848922135000000,     0.000000000000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 22.989769  - symbol: Na # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 22.989769  - symbol: K  # 3    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300  - symbol: Sb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [    -0.129906499134725,     0.129906499134725,     0.129906499134725 ] # a*  - [     0.129906499134725,    -0.129906499134725,     0.129906499134725 ] # b*  - [     0.129906499134725,     0.129906499134725,    -0.129906499134725 ] # c*unit_cell:  lattice:  - [     7.697844270000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.697844270000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.697844270000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 4    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 5    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 6    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 7    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 8    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: K  # 9    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 12    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 9  - 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:  - [    15.395688540000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.395688540000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.395688540000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 3    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 4    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 5    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 6    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 7    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 8    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 9    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 10    coordinates: [  0.875000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 11    coordinates: [  0.375000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 12    coordinates: [  0.875000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 13    coordinates: [  0.375000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 14    coordinates: [  0.875000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 15    coordinates: [  0.375000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 16    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 17    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 18    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 19    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 20    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 21    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 22    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 23    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 24    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 25    coordinates: [  0.375000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 26    coordinates: [  0.875000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 27    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 28    coordinates: [  0.875000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 29    coordinates: [  0.375000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 30    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 31    coordinates: [  0.375000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 32    coordinates: [  0.875000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 33    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 34    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 35    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 36    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 37    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 38    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 39    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 40    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 41    coordinates: [  0.125000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 42    coordinates: [  0.625000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 43    coordinates: [  0.125000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 44    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 45    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 46    coordinates: [  0.625000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 47    coordinates: [  0.125000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 48    coordinates: [  0.625000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 49    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 50    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 51    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 52    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 53    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 54    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 55    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 56    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 57    coordinates: [  0.125000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 58    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 59    coordinates: [  0.125000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 60    coordinates: [  0.625000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 61    coordinates: [  0.125000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 62    coordinates: [  0.625000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 63    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: Na # 64    coordinates: [  0.625000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 22.989769    reduced_to: 9  - symbol: K  # 65    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 66    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 67    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 68    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 69    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 70    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 71    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 72    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 73    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 74    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 75    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 76    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 77    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 78    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 79    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 80    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 82    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 83    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 84    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 85    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 86    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 87    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 88    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 89    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 90    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 91    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 92    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 93    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 94    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 95    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 96    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 65  - 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 (Na)  - [  1.057386070000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.057386070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.057386070000000 ]- # 2 (Na)  - [  1.057386070000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.057386070000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.057386070000000 ]- # 3 (K)  - [  1.006985060000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.006985060000000, -0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.006985060000000 ]- # 4 (Sb)  - [ -3.121757200000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -3.121757200000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -3.121757200000000 ]dielectric_constant:  - 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