# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4cf477f8-d79f-4c7d-a682-6ca1dd3d2759/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 CsAgBr2 / Cmcm (63) / materials id 23454](https://mdr.nims.go.jp/datasets/deebf8ea-5101-4a00-bf96-022abc3bff83)

## 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: "Cmcm"  number: 63  Hall_symbol: "-C 2c 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   3,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     2.283863400000000,    -9.819214105000000,     0.000000000000000 ] # a  - [     2.283863400000000,     9.819214105000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.747719739999999 ] # c  points:  - symbol: Br # 1    coordinates: [  0.932891890000000,  0.067108110000000,  0.250000000000000 ]    mass: 79.904000  - symbol: Br # 2    coordinates: [  0.067108110000000,  0.932891890000000,  0.750000000000000 ]    mass: 79.904000  - symbol: Br # 3    coordinates: [  0.772627790000000,  0.227372210000000,  0.750000000000000 ]    mass: 79.904000  - symbol: Br # 4    coordinates: [  0.227372210000000,  0.772627790000000,  0.250000000000000 ]    mass: 79.904000  - symbol: Ag # 5    coordinates: [  0.199554310000000,  0.800445690000000,  0.750000000000000 ]    mass: 107.868200  - symbol: Ag # 6    coordinates: [  0.800445690000000,  0.199554310000000,  0.250000000000000 ]    mass: 107.868200  - symbol: Cs # 7    coordinates: [  0.587045690000000,  0.412954310000000,  0.250000000000000 ]    mass: 132.905452  - symbol: Cs # 8    coordinates: [  0.412954310000000,  0.587045690000000,  0.750000000000000 ]    mass: 132.905452  reciprocal_lattice: # without 2pi  - [     0.218927279100843,    -0.050920572120471,     0.000000000000000 ] # a*  - [     0.218927279100843,     0.050920572120471,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.173982039005959 ] # c*unit_cell:  lattice:  - [     4.567726800000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    19.638428210000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.747719740000000 ] # c  points:  - symbol: Br # 1    coordinates: [  0.000000000000000,  0.067108110000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 2    coordinates: [  0.500000000000000,  0.432891890000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 2  - symbol: Br # 3    coordinates: [  0.000000000000000,  0.227372210000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 4    coordinates: [  0.500000000000000,  0.272627790000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Br # 5    coordinates: [  0.500000000000000,  0.567108110000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 6    coordinates: [  0.000000000000000,  0.932891890000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 2  - symbol: Br # 7    coordinates: [  0.500000000000000,  0.727372210000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 3  - symbol: Br # 8    coordinates: [  0.000000000000000,  0.772627790000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 4  - symbol: Ag # 9    coordinates: [  0.500000000000000,  0.300445690000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 9  - symbol: Ag # 10    coordinates: [  0.000000000000000,  0.199554310000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 10  - symbol: Ag # 11    coordinates: [  0.000000000000000,  0.800445690000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 9  - symbol: Ag # 12    coordinates: [  0.500000000000000,  0.699554310000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 10  - symbol: Cs # 13    coordinates: [  0.000000000000000,  0.412954310000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 14    coordinates: [  0.500000000000000,  0.087045690000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 14  - symbol: Cs # 15    coordinates: [  0.500000000000000,  0.912954310000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 13  - symbol: Cs # 16    coordinates: [  0.000000000000000,  0.587045690000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 14supercell:  lattice:  - [    13.703180400000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    19.638428210000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.243159219999999 ] # c  points:  - symbol: Br # 1    coordinates: [  0.000000000000000,  0.067108110000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 2    coordinates: [  0.333333333333333,  0.067108110000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 3    coordinates: [  0.666666666666667,  0.067108110000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 4    coordinates: [  0.000000000000000,  0.067108110000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 5    coordinates: [  0.333333333333333,  0.067108110000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 6    coordinates: [  0.666666666666667,  0.067108110000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 7    coordinates: [  0.000000000000000,  0.067108110000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 8    coordinates: [  0.333333333333333,  0.067108110000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 9    coordinates: [  0.666666666666667,  0.067108110000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 10    coordinates: [  0.166666666666667,  0.432891890000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 11    coordinates: [  0.500000000000000,  0.432891890000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 12    coordinates: [  0.833333333333333,  0.432891890000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 13    coordinates: [  0.166666666666667,  0.432891890000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 14    coordinates: [  0.500000000000000,  0.432891890000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 15    coordinates: [  0.833333333333333,  0.432891890000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 16    coordinates: [  0.166666666666667,  0.432891890000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 17    coordinates: [  0.500000000000000,  0.432891890000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 18    coordinates: [  0.833333333333333,  0.432891890000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 19    coordinates: [  0.000000000000000,  0.227372210000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 20    coordinates: [  0.333333333333333,  0.227372210000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 21    coordinates: [  0.666666666666667,  0.227372210000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 22    coordinates: [  0.000000000000000,  0.227372210000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 23    coordinates: [  0.333333333333333,  0.227372210000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 24    coordinates: [  0.666666666666667,  0.227372210000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 25    coordinates: [  0.000000000000000,  0.227372210000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 26    coordinates: [  0.333333333333333,  0.227372210000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 27    coordinates: [  0.666666666666667,  0.227372210000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 28    coordinates: [  0.166666666666667,  0.272627790000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 29    coordinates: [  0.500000000000000,  0.272627790000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 30    coordinates: [  0.833333333333333,  0.272627790000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 31    coordinates: [  0.166666666666667,  0.272627790000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 32    coordinates: [  0.500000000000000,  0.272627790000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 33    coordinates: [  0.833333333333333,  0.272627790000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 34    coordinates: [  0.166666666666667,  0.272627790000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 35    coordinates: [  0.500000000000000,  0.272627790000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 36    coordinates: [  0.833333333333333,  0.272627790000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 37    coordinates: [  0.166666666666667,  0.567108110000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 38    coordinates: [  0.500000000000000,  0.567108110000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 39    coordinates: [  0.833333333333333,  0.567108110000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 40    coordinates: [  0.166666666666667,  0.567108110000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 41    coordinates: [  0.500000000000000,  0.567108110000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 42    coordinates: [  0.833333333333333,  0.567108110000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 43    coordinates: [  0.166666666666667,  0.567108110000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 44    coordinates: [  0.500000000000000,  0.567108110000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 45    coordinates: [  0.833333333333333,  0.567108110000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 1  - symbol: Br # 46    coordinates: [  0.000000000000000,  0.932891890000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 47    coordinates: [  0.333333333333333,  0.932891890000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 48    coordinates: [  0.666666666666667,  0.932891890000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 49    coordinates: [  0.000000000000000,  0.932891890000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 50    coordinates: [  0.333333333333333,  0.932891890000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 51    coordinates: [  0.666666666666667,  0.932891890000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 52    coordinates: [  0.000000000000000,  0.932891890000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 53    coordinates: [  0.333333333333333,  0.932891890000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 54    coordinates: [  0.666666666666667,  0.932891890000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 55    coordinates: [  0.166666666666667,  0.727372210000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 56    coordinates: [  0.500000000000000,  0.727372210000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 57    coordinates: [  0.833333333333333,  0.727372210000000,  0.250000000000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 58    coordinates: [  0.166666666666667,  0.727372210000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 59    coordinates: [  0.500000000000000,  0.727372210000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 60    coordinates: [  0.833333333333333,  0.727372210000000,  0.583333333333333 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 61    coordinates: [  0.166666666666667,  0.727372210000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 62    coordinates: [  0.500000000000000,  0.727372210000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 63    coordinates: [  0.833333333333333,  0.727372210000000,  0.916666666666667 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 64    coordinates: [  0.000000000000000,  0.772627790000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 65    coordinates: [  0.333333333333333,  0.772627790000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 66    coordinates: [  0.666666666666667,  0.772627790000000,  0.083333333333333 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 67    coordinates: [  0.000000000000000,  0.772627790000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 68    coordinates: [  0.333333333333333,  0.772627790000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 69    coordinates: [  0.666666666666667,  0.772627790000000,  0.416666666666667 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 70    coordinates: [  0.000000000000000,  0.772627790000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 71    coordinates: [  0.333333333333333,  0.772627790000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 72    coordinates: [  0.666666666666667,  0.772627790000000,  0.750000000000000 ]    mass: 79.904000    reduced_to: 28  - symbol: Ag # 73    coordinates: [  0.166666666666667,  0.300445690000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 74    coordinates: [  0.500000000000000,  0.300445690000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 75    coordinates: [  0.833333333333333,  0.300445690000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 76    coordinates: [  0.166666666666667,  0.300445690000000,  0.583333333333333 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 77    coordinates: [  0.500000000000000,  0.300445690000000,  0.583333333333333 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 78    coordinates: [  0.833333333333333,  0.300445690000000,  0.583333333333333 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 79    coordinates: [  0.166666666666667,  0.300445690000000,  0.916666666666667 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 80    coordinates: [  0.500000000000000,  0.300445690000000,  0.916666666666667 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 81    coordinates: [  0.833333333333333,  0.300445690000000,  0.916666666666667 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 82    coordinates: [  0.000000000000000,  0.199554310000000,  0.083333333333333 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 83    coordinates: [  0.333333333333333,  0.199554310000000,  0.083333333333333 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 84    coordinates: [  0.666666666666667,  0.199554310000000,  0.083333333333333 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 85    coordinates: [  0.000000000000000,  0.199554310000000,  0.416666666666667 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 86    coordinates: [  0.333333333333333,  0.199554310000000,  0.416666666666667 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 87    coordinates: [  0.666666666666667,  0.199554310000000,  0.416666666666667 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 88    coordinates: [  0.000000000000000,  0.199554310000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 89    coordinates: [  0.333333333333333,  0.199554310000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 90    coordinates: [  0.666666666666667,  0.199554310000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 91    coordinates: [  0.000000000000000,  0.800445690000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 92    coordinates: [  0.333333333333333,  0.800445690000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 93    coordinates: [  0.666666666666667,  0.800445690000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 94    coordinates: [  0.000000000000000,  0.800445690000000,  0.583333333333333 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 95    coordinates: [  0.333333333333333,  0.800445690000000,  0.583333333333333 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 96    coordinates: [  0.666666666666667,  0.800445690000000,  0.583333333333333 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 97    coordinates: [  0.000000000000000,  0.800445690000000,  0.916666666666667 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 98    coordinates: [  0.333333333333333,  0.800445690000000,  0.916666666666667 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 99    coordinates: [  0.666666666666667,  0.800445690000000,  0.916666666666667 ]    mass: 107.868200    reduced_to: 73  - symbol: Ag # 100    coordinates: [  0.166666666666667,  0.699554310000000,  0.083333333333333 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 101    coordinates: [  0.500000000000000,  0.699554310000000,  0.083333333333333 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 102    coordinates: [  0.833333333333333,  0.699554310000000,  0.083333333333333 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 103    coordinates: [  0.166666666666667,  0.699554310000000,  0.416666666666667 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 104    coordinates: [  0.500000000000000,  0.699554310000000,  0.416666666666667 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 105    coordinates: [  0.833333333333333,  0.699554310000000,  0.416666666666667 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 106    coordinates: [  0.166666666666667,  0.699554310000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 107    coordinates: [  0.500000000000000,  0.699554310000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 82  - symbol: Ag # 108    coordinates: [  0.833333333333333,  0.699554310000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 82  - symbol: Cs # 109    coordinates: [  0.000000000000000,  0.412954310000000,  0.083333333333333 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 110    coordinates: [  0.333333333333333,  0.412954310000000,  0.083333333333333 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 111    coordinates: [  0.666666666666667,  0.412954310000000,  0.083333333333333 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 112    coordinates: [  0.000000000000000,  0.412954310000000,  0.416666666666667 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 113    coordinates: [  0.333333333333333,  0.412954310000000,  0.416666666666667 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 114    coordinates: [  0.666666666666667,  0.412954310000000,  0.416666666666667 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 115    coordinates: [  0.000000000000000,  0.412954310000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 116    coordinates: [  0.333333333333333,  0.412954310000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 117    coordinates: [  0.666666666666667,  0.412954310000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 118    coordinates: [  0.166666666666667,  0.087045690000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 119    coordinates: [  0.500000000000000,  0.087045690000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 120    coordinates: [  0.833333333333333,  0.087045690000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 121    coordinates: [  0.166666666666667,  0.087045690000000,  0.583333333333333 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 122    coordinates: [  0.500000000000000,  0.087045690000000,  0.583333333333333 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 123    coordinates: [  0.833333333333333,  0.087045690000000,  0.583333333333333 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 124    coordinates: [  0.166666666666667,  0.087045690000000,  0.916666666666667 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 125    coordinates: [  0.500000000000000,  0.087045690000000,  0.916666666666667 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 126    coordinates: [  0.833333333333333,  0.087045690000000,  0.916666666666667 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 127    coordinates: [  0.166666666666667,  0.912954310000000,  0.083333333333333 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 128    coordinates: [  0.500000000000000,  0.912954310000000,  0.083333333333333 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 129    coordinates: [  0.833333333333333,  0.912954310000000,  0.083333333333333 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 130    coordinates: [  0.166666666666667,  0.912954310000000,  0.416666666666667 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 131    coordinates: [  0.500000000000000,  0.912954310000000,  0.416666666666667 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 132    coordinates: [  0.833333333333333,  0.912954310000000,  0.416666666666667 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 133    coordinates: [  0.166666666666667,  0.912954310000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 134    coordinates: [  0.500000000000000,  0.912954310000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 135    coordinates: [  0.833333333333333,  0.912954310000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 136    coordinates: [  0.000000000000000,  0.587045690000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 137    coordinates: [  0.333333333333333,  0.587045690000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 138    coordinates: [  0.666666666666667,  0.587045690000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 139    coordinates: [  0.000000000000000,  0.587045690000000,  0.583333333333333 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 140    coordinates: [  0.333333333333333,  0.587045690000000,  0.583333333333333 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 141    coordinates: [  0.666666666666667,  0.587045690000000,  0.583333333333333 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 142    coordinates: [  0.000000000000000,  0.587045690000000,  0.916666666666667 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 143    coordinates: [  0.333333333333333,  0.587045690000000,  0.916666666666667 ]    mass: 132.905452    reduced_to: 118  - symbol: Cs # 144    coordinates: [  0.666666666666667,  0.587045690000000,  0.916666666666667 ]    mass: 132.905452    reduced_to: 118born_effective_charge:- # 1 (Br)  - [ -1.080579930000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.538395140000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.173612790000000 ]- # 2 (Br)  - [ -1.080579930000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.538395140000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.173612790000000 ]- # 3 (Br)  - [ -1.580899930000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.016212730000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.481686630000000 ]- # 4 (Br)  - [ -1.580899930000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.016212730000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.481686630000000 ]- # 5 (Ag)  - [  1.260036000000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.129254860000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.335633140000000 ]- # 6 (Ag)  - [  1.260036000000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.129254860000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.335633140000000 ]- # 7 (Cs)  - [  1.401443860000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.425353010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.319666280000000 ]- # 8 (Cs)  - [  1.401443860000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.425353010000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.319666280000000 ]dielectric_constant:  - [  3.986953230000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.858249440000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.037960400000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0096457800000000, -0.0005202200000000,  0.0000000000000000 ]  - [   0.0012174300000000, -0.0004644000000000,  0.0000000000000000 ]  - [   0.0012054900000000, -0.0007535400000000,  0.0000000000000000 ]  - [  -0.0002910000000000, -0.0006074900000000, -0.0000152400000000 ]  - [   0.0002359300000000, -0.0006246900000000,  0.0002309200000000 ]  - [   0.0002354700000000, -0.0005906700000000, -0.0002599500000000 ]  - 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