# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/43f243de-c614-4562-aeb8-2d1d3a2ddebd/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 CsBr / Pm-3m (221) / materials id 22906](https://mdr.nims.go.jp/datasets/8d0f8853-7e69-4431-ad0a-d5e4290b5481)

## 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: "Pm-3m"  number: 221  Hall_symbol: "-P 4 2 3"supercell_matrix:- [   4,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   4 ]primitive_cell:  lattice:  - [     4.243555840000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.243555840000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.243555840000000 ] # c  points:  - symbol: Br # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 79.904000  - symbol: Cs # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452  reciprocal_lattice: # without 2pi  - [     0.235651429533210,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.235651429533210,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.235651429533210 ] # c*unit_cell:  lattice:  - [     4.243555840000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.243555840000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.243555840000000 ] # c  points:  - symbol: Br # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Cs # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 2supercell:  lattice:  - [    16.974223360000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    16.974223360000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.974223360000000 ] # c  points:  - symbol: Br # 1    coordinates: [  0.125000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 2    coordinates: [  0.375000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 3    coordinates: [  0.625000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 4    coordinates: [  0.875000000000000,  0.125000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 5    coordinates: [  0.125000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 6    coordinates: [  0.375000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 7    coordinates: [  0.625000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 8    coordinates: [  0.875000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 9    coordinates: [  0.125000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 10    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 11    coordinates: [  0.625000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 12    coordinates: [  0.875000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 13    coordinates: [  0.125000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 14    coordinates: [  0.375000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 15    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 16    coordinates: [  0.875000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 17    coordinates: [  0.125000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 18    coordinates: [  0.375000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 19    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 20    coordinates: [  0.875000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 21    coordinates: [  0.125000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 22    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 23    coordinates: [  0.625000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 24    coordinates: [  0.875000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 25    coordinates: [  0.125000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 26    coordinates: [  0.375000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 27    coordinates: [  0.625000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 28    coordinates: [  0.875000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 29    coordinates: [  0.125000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 30    coordinates: [  0.375000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 31    coordinates: [  0.625000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 32    coordinates: [  0.875000000000000,  0.875000000000000,  0.375000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 33    coordinates: [  0.125000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 34    coordinates: [  0.375000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 35    coordinates: [  0.625000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 36    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 37    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 38    coordinates: [  0.375000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 39    coordinates: [  0.625000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 40    coordinates: [  0.875000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 41    coordinates: [  0.125000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 42    coordinates: [  0.375000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 43    coordinates: [  0.625000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 44    coordinates: [  0.875000000000000,  0.625000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 45    coordinates: [  0.125000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 46    coordinates: [  0.375000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 47    coordinates: [  0.625000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 48    coordinates: [  0.875000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 49    coordinates: [  0.125000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 50    coordinates: [  0.375000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 51    coordinates: [  0.625000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 52    coordinates: [  0.875000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 53    coordinates: [  0.125000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 54    coordinates: [  0.375000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 55    coordinates: [  0.625000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 56    coordinates: [  0.875000000000000,  0.375000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 57    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 58    coordinates: [  0.375000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 59    coordinates: [  0.625000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 60    coordinates: [  0.875000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 61    coordinates: [  0.125000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 62    coordinates: [  0.375000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 63    coordinates: [  0.625000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 64    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Cs # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 66    coordinates: [  0.250000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 67    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 68    coordinates: [  0.750000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 69    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 70    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 71    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 72    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 73    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 74    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 75    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 76    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 77    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 78    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 79    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 80    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 81    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 82    coordinates: [  0.250000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 83    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 84    coordinates: [  0.750000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 85    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 86    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 87    coordinates: [  0.500000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 88    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 89    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 90    coordinates: [  0.250000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 91    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 92    coordinates: [  0.750000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 93    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 94    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 95    coordinates: [  0.500000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 96    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 98    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 99    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 100    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 101    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 102    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 103    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 104    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 105    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 106    coordinates: [  0.250000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 107    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 108    coordinates: [  0.750000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 109    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 110    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 111    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 112    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 113    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 114    coordinates: [  0.250000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 115    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 116    coordinates: [  0.750000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 117    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 118    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 119    coordinates: [  0.500000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 120    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 121    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 122    coordinates: [  0.250000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 123    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 124    coordinates: [  0.750000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 125    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 126    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 127    coordinates: [  0.500000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65  - symbol: Cs # 128    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 65born_effective_charge:- # 1 (Br)  - [ -1.321929760000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.321929760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.321929760000000 ]- # 2 (Cs)  - [  1.321929760000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.321929760000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.321929760000000 ]dielectric_constant:  - [  3.193181990000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.193181990000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.193181990000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0146795200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0023454300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006370700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0023152700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007469600000000, -0.0000061000000000,  0.0000000000000000 ]  - 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