# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0dd7d1d7-d7c9-4266-ba95-f28346c6cfdc/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 CsSnI3 / Pnma (62) / materials id 27381](https://mdr.nims.go.jp/datasets/1382559e-2848-4ec7-bd7e-0e9bc6036ac2)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.366596010000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.679795960000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.519608529999999 ] # c  points:  - symbol: Sn # 1    coordinates: [  0.841324850000000,  0.250000000000000,  0.560143110000000 ]    mass: 118.710000  - symbol: Sn # 2    coordinates: [  0.158675150000000,  0.750000000000000,  0.439856890000000 ]    mass: 118.710000  - symbol: Sn # 3    coordinates: [  0.341324850000000,  0.250000000000000,  0.939856890000000 ]    mass: 118.710000  - symbol: Sn # 4    coordinates: [  0.658675150000000,  0.750000000000000,  0.060143110000000 ]    mass: 118.710000  - symbol: I  # 5    coordinates: [  0.530938370000000,  0.750000000000000,  0.885774190000000 ]    mass: 126.904470  - symbol: I  # 6    coordinates: [  0.469061630000000,  0.250000000000000,  0.114225810000000 ]    mass: 126.904470  - symbol: I  # 7    coordinates: [  0.030938370000000,  0.750000000000000,  0.614225810000000 ]    mass: 126.904470  - symbol: I  # 8    coordinates: [  0.969061630000000,  0.250000000000000,  0.385774190000000 ]    mass: 126.904470  - symbol: I  # 9    coordinates: [  0.795669890000000,  0.750000000000000,  0.211338420000000 ]    mass: 126.904470  - symbol: I  # 10    coordinates: [  0.204330110000000,  0.250000000000000,  0.788661580000000 ]    mass: 126.904470  - symbol: I  # 11    coordinates: [  0.295669890000000,  0.750000000000000,  0.288661580000000 ]    mass: 126.904470  - symbol: I  # 12    coordinates: [  0.704330110000000,  0.250000000000000,  0.711338420000000 ]    mass: 126.904470  - symbol: I  # 13    coordinates: [  0.662114360000000,  0.750000000000000,  0.500356780000000 ]    mass: 126.904470  - symbol: I  # 14    coordinates: [  0.337885640000000,  0.250000000000000,  0.499643220000000 ]    mass: 126.904470  - symbol: I  # 15    coordinates: [  0.162114360000000,  0.750000000000000,  0.999643220000000 ]    mass: 126.904470  - symbol: I  # 16    coordinates: [  0.837885640000000,  0.250000000000000,  0.000356780000000 ]    mass: 126.904470  - symbol: Cs # 17    coordinates: [  0.582067100000000,  0.250000000000000,  0.328899630000000 ]    mass: 132.905452  - symbol: Cs # 18    coordinates: [  0.417932900000000,  0.750000000000000,  0.671100370000000 ]    mass: 132.905452  - symbol: Cs # 19    coordinates: [  0.082067100000000,  0.250000000000000,  0.171100370000000 ]    mass: 132.905452  - symbol: Cs # 20    coordinates: [  0.917932900000000,  0.750000000000000,  0.828899630000000 ]    mass: 132.905452  reciprocal_lattice: # without 2pi  - [     0.096463679980908,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.213684529955447,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.057078900951904 ] # c*unit_cell:  lattice:  - [    10.366596010000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.679795960000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.519608529999999 ] # c  points:  - symbol: Sn # 1    coordinates: [  0.841324850000000,  0.250000000000000,  0.560143110000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 2    coordinates: [  0.158675150000000,  0.750000000000000,  0.439856890000000 ]    mass: 118.710000    reduced_to: 2  - symbol: Sn # 3    coordinates: [  0.341324850000000,  0.250000000000000,  0.939856890000000 ]    mass: 118.710000    reduced_to: 3  - symbol: Sn # 4    coordinates: [  0.658675150000000,  0.750000000000000,  0.060143110000000 ]    mass: 118.710000    reduced_to: 4  - symbol: I  # 5    coordinates: [  0.530938370000000,  0.750000000000000,  0.885774190000000 ]    mass: 126.904470    reduced_to: 5  - symbol: I  # 6    coordinates: [  0.469061630000000,  0.250000000000000,  0.114225810000000 ]    mass: 126.904470    reduced_to: 6  - symbol: I  # 7    coordinates: [  0.030938370000000,  0.750000000000000,  0.614225810000000 ]    mass: 126.904470    reduced_to: 7  - symbol: I  # 8    coordinates: [  0.969061630000000,  0.250000000000000,  0.385774190000000 ]    mass: 126.904470    reduced_to: 8  - symbol: I  # 9    coordinates: [  0.795669890000000,  0.750000000000000,  0.211338420000000 ]    mass: 126.904470    reduced_to: 9  - symbol: I  # 10    coordinates: [  0.204330110000000,  0.250000000000000,  0.788661580000000 ]    mass: 126.904470    reduced_to: 10  - symbol: I  # 11    coordinates: [  0.295669890000000,  0.750000000000000,  0.288661580000000 ]    mass: 126.904470    reduced_to: 11  - symbol: I  # 12    coordinates: [  0.704330110000000,  0.250000000000000,  0.711338420000000 ]    mass: 126.904470    reduced_to: 12  - symbol: I  # 13    coordinates: [  0.662114360000000,  0.750000000000000,  0.500356780000000 ]    mass: 126.904470    reduced_to: 13  - symbol: I  # 14    coordinates: [  0.337885640000000,  0.250000000000000,  0.499643220000000 ]    mass: 126.904470    reduced_to: 14  - symbol: I  # 15    coordinates: [  0.162114360000000,  0.750000000000000,  0.999643220000000 ]    mass: 126.904470    reduced_to: 15  - symbol: I  # 16    coordinates: [  0.837885640000000,  0.250000000000000,  0.000356780000000 ]    mass: 126.904470    reduced_to: 16  - symbol: Cs # 17    coordinates: [  0.582067100000000,  0.250000000000000,  0.328899630000000 ]    mass: 132.905452    reduced_to: 17  - symbol: Cs # 18    coordinates: [  0.417932900000000,  0.750000000000000,  0.671100370000000 ]    mass: 132.905452    reduced_to: 18  - symbol: Cs # 19    coordinates: [  0.082067100000000,  0.250000000000000,  0.171100370000000 ]    mass: 132.905452    reduced_to: 19  - symbol: Cs # 20    coordinates: [  0.917932900000000,  0.750000000000000,  0.828899630000000 ]    mass: 132.905452    reduced_to: 20supercell:  lattice:  - [    20.733192020000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.039387880000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.519608529999999 ] # c  points:  - symbol: Sn # 1    coordinates: [  0.420662425000000,  0.083333333333333,  0.560143110000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 2    coordinates: [  0.920662425000000,  0.083333333333333,  0.560143110000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 3    coordinates: [  0.420662425000000,  0.416666666666667,  0.560143110000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 4    coordinates: [  0.920662425000000,  0.416666666666667,  0.560143110000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 5    coordinates: [  0.420662425000000,  0.750000000000000,  0.560143110000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 6    coordinates: [  0.920662425000000,  0.750000000000000,  0.560143110000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 7    coordinates: [  0.079337575000000,  0.250000000000000,  0.439856890000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 8    coordinates: [  0.579337575000000,  0.250000000000000,  0.439856890000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 9    coordinates: [  0.079337575000000,  0.583333333333333,  0.439856890000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 10    coordinates: [  0.579337575000000,  0.583333333333333,  0.439856890000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 11    coordinates: [  0.079337575000000,  0.916666666666667,  0.439856890000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 12    coordinates: [  0.579337575000000,  0.916666666666667,  0.439856890000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 13    coordinates: [  0.170662425000000,  0.083333333333333,  0.939856890000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 14    coordinates: [  0.670662425000000,  0.083333333333333,  0.939856890000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 15    coordinates: [  0.170662425000000,  0.416666666666667,  0.939856890000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 16    coordinates: [  0.670662425000000,  0.416666666666667,  0.939856890000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 17    coordinates: [  0.170662425000000,  0.750000000000000,  0.939856890000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 18    coordinates: [  0.670662425000000,  0.750000000000000,  0.939856890000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 19    coordinates: [  0.329337575000000,  0.250000000000000,  0.060143110000000 ]    mass: 118.710000    reduced_to: 19  - symbol: Sn # 20    coordinates: [  0.829337575000000,  0.250000000000000,  0.060143110000000 ]    mass: 118.710000    reduced_to: 19  - symbol: Sn # 21    coordinates: [  0.329337575000000,  0.583333333333333,  0.060143110000000 ]    mass: 118.710000    reduced_to: 19  - symbol: Sn # 22    coordinates: [  0.829337575000000,  0.583333333333333,  0.060143110000000 ]    mass: 118.710000    reduced_to: 19  - symbol: Sn # 23    coordinates: [  0.329337575000000,  0.916666666666667,  0.060143110000000 ]    mass: 118.710000    reduced_to: 19  - symbol: Sn # 24    coordinates: [  0.829337575000000,  0.916666666666667,  0.060143110000000 ]    mass: 118.710000    reduced_to: 19  - symbol: I  # 25    coordinates: [  0.265469185000000,  0.250000000000000,  0.885774190000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 26    coordinates: [  0.765469185000000,  0.250000000000000,  0.885774190000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 27    coordinates: [  0.265469185000000,  0.583333333333333,  0.885774190000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 28    coordinates: [  0.765469185000000,  0.583333333333333,  0.885774190000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 29    coordinates: [  0.265469185000000,  0.916666666666667,  0.885774190000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 30    coordinates: [  0.765469185000000,  0.916666666666667,  0.885774190000000 ]    mass: 126.904470    reduced_to: 25  - symbol: I  # 31    coordinates: [  0.234530815000000,  0.083333333333333,  0.114225810000000 ]    mass: 126.904470    reduced_to: 31  - symbol: I  # 32    coordinates: [  0.734530815000000,  0.083333333333333,  0.114225810000000 ]    mass: 126.904470    reduced_to: 31  - symbol: I  # 33    coordinates: [  0.234530815000000,  0.416666666666667,  0.114225810000000 ]    mass: 126.904470    reduced_to: 31  - symbol: I  # 34    coordinates: [  0.734530815000000,  0.416666666666667,  0.114225810000000 ]    mass: 126.904470    reduced_to: 31  - symbol: I  # 35    coordinates: [  0.234530815000000,  0.750000000000000,  0.114225810000000 ]    mass: 126.904470    reduced_to: 31  - symbol: I  # 36    coordinates: [  0.734530815000000,  0.750000000000000,  0.114225810000000 ]    mass: 126.904470    reduced_to: 31  - symbol: I  # 37    coordinates: [  0.015469185000000,  0.250000000000000,  0.614225810000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 38    coordinates: [  0.515469185000000,  0.250000000000000,  0.614225810000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 39    coordinates: [  0.015469185000000,  0.583333333333333,  0.614225810000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 40    coordinates: [  0.515469185000000,  0.583333333333333,  0.614225810000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 41    coordinates: [  0.015469185000000,  0.916666666666667,  0.614225810000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 42    coordinates: [  0.515469185000000,  0.916666666666667,  0.614225810000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 43    coordinates: [  0.484530815000000,  0.083333333333333,  0.385774190000000 ]    mass: 126.904470    reduced_to: 43  - symbol: I  # 44    coordinates: [  0.984530815000000,  0.083333333333333,  0.385774190000000 ]    mass: 126.904470    reduced_to: 43  - symbol: I  # 45    coordinates: [  0.484530815000000,  0.416666666666667,  0.385774190000000 ]    mass: 126.904470    reduced_to: 43  - symbol: I  # 46    coordinates: [  0.984530815000000,  0.416666666666667,  0.385774190000000 ]    mass: 126.904470    reduced_to: 43  - symbol: I  # 47    coordinates: [  0.484530815000000,  0.750000000000000,  0.385774190000000 ]    mass: 126.904470    reduced_to: 43  - symbol: I  # 48    coordinates: [  0.984530815000000,  0.750000000000000,  0.385774190000000 ]    mass: 126.904470    reduced_to: 43  - symbol: I  # 49    coordinates: [  0.397834945000000,  0.250000000000000,  0.211338420000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 50    coordinates: [  0.897834945000000,  0.250000000000000,  0.211338420000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 51    coordinates: [  0.397834945000000,  0.583333333333333,  0.211338420000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 52    coordinates: [  0.897834945000000,  0.583333333333333,  0.211338420000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 53    coordinates: [  0.397834945000000,  0.916666666666667,  0.211338420000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 54    coordinates: [  0.897834945000000,  0.916666666666667,  0.211338420000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 55    coordinates: [  0.102165055000000,  0.083333333333333,  0.788661580000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 56    coordinates: [  0.602165055000000,  0.083333333333333,  0.788661580000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 57    coordinates: [  0.102165055000000,  0.416666666666667,  0.788661580000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 58    coordinates: [  0.602165055000000,  0.416666666666667,  0.788661580000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 59    coordinates: [  0.102165055000000,  0.750000000000000,  0.788661580000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 60    coordinates: [  0.602165055000000,  0.750000000000000,  0.788661580000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 61    coordinates: [  0.147834945000000,  0.250000000000000,  0.288661580000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 62    coordinates: [  0.647834945000000,  0.250000000000000,  0.288661580000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 63    coordinates: [  0.147834945000000,  0.583333333333333,  0.288661580000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 64    coordinates: [  0.647834945000000,  0.583333333333333,  0.288661580000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 65    coordinates: [  0.147834945000000,  0.916666666666667,  0.288661580000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 66    coordinates: [  0.647834945000000,  0.916666666666667,  0.288661580000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 67    coordinates: [  0.352165055000000,  0.083333333333333,  0.711338420000000 ]    mass: 126.904470    reduced_to: 67  - symbol: I  # 68    coordinates: [  0.852165055000000,  0.083333333333333,  0.711338420000000 ]    mass: 126.904470    reduced_to: 67  - symbol: I  # 69    coordinates: [  0.352165055000000,  0.416666666666667,  0.711338420000000 ]    mass: 126.904470    reduced_to: 67  - symbol: I  # 70    coordinates: [  0.852165055000000,  0.416666666666667,  0.711338420000000 ]    mass: 126.904470    reduced_to: 67  - symbol: I  # 71    coordinates: [  0.352165055000000,  0.750000000000000,  0.711338420000000 ]    mass: 126.904470    reduced_to: 67  - symbol: I  # 72    coordinates: [  0.852165055000000,  0.750000000000000,  0.711338420000000 ]    mass: 126.904470    reduced_to: 67  - symbol: I  # 73    coordinates: [  0.331057180000000,  0.250000000000000,  0.500356780000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 74    coordinates: [  0.831057180000000,  0.250000000000000,  0.500356780000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 75    coordinates: [  0.331057180000000,  0.583333333333333,  0.500356780000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 76    coordinates: [  0.831057180000000,  0.583333333333333,  0.500356780000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 77    coordinates: [  0.331057180000000,  0.916666666666667,  0.500356780000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 78    coordinates: [  0.831057180000000,  0.916666666666667,  0.500356780000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 79    coordinates: [  0.168942820000000,  0.083333333333333,  0.499643220000000 ]    mass: 126.904470    reduced_to: 79  - symbol: I  # 80    coordinates: [  0.668942820000000,  0.083333333333333,  0.499643220000000 ]    mass: 126.904470    reduced_to: 79  - symbol: I  # 81    coordinates: [  0.168942820000000,  0.416666666666667,  0.499643220000000 ]    mass: 126.904470    reduced_to: 79  - symbol: I  # 82    coordinates: [  0.668942820000000,  0.416666666666667,  0.499643220000000 ]    mass: 126.904470    reduced_to: 79  - symbol: I  # 83    coordinates: [  0.168942820000000,  0.750000000000000,  0.499643220000000 ]    mass: 126.904470    reduced_to: 79  - symbol: I  # 84    coordinates: [  0.668942820000000,  0.750000000000000,  0.499643220000000 ]    mass: 126.904470    reduced_to: 79  - symbol: I  # 85    coordinates: [  0.081057180000000,  0.250000000000000,  0.999643220000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 86    coordinates: [  0.581057180000000,  0.250000000000000,  0.999643220000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 87    coordinates: [  0.081057180000000,  0.583333333333333,  0.999643220000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 88    coordinates: [  0.581057180000000,  0.583333333333333,  0.999643220000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 89    coordinates: [  0.081057180000000,  0.916666666666667,  0.999643220000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 90    coordinates: [  0.581057180000000,  0.916666666666667,  0.999643220000000 ]    mass: 126.904470    reduced_to: 85  - symbol: I  # 91    coordinates: [  0.418942820000000,  0.083333333333333,  0.000356780000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 92    coordinates: [  0.918942820000000,  0.083333333333333,  0.000356780000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 93    coordinates: [  0.418942820000000,  0.416666666666667,  0.000356780000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 94    coordinates: [  0.918942820000000,  0.416666666666667,  0.000356780000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 95    coordinates: [  0.418942820000000,  0.750000000000000,  0.000356780000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 96    coordinates: [  0.918942820000000,  0.750000000000000,  0.000356780000000 ]    mass: 126.904470    reduced_to: 91  - symbol: Cs # 97    coordinates: [  0.291033550000000,  0.083333333333333,  0.328899630000000 ]    mass: 132.905452    reduced_to: 97  - symbol: Cs # 98    coordinates: [  0.791033550000000,  0.083333333333333,  0.328899630000000 ]    mass: 132.905452    reduced_to: 97  - symbol: Cs # 99    coordinates: [  0.291033550000000,  0.416666666666667,  0.328899630000000 ]    mass: 132.905452    reduced_to: 97  - symbol: Cs # 100    coordinates: [  0.791033550000000,  0.416666666666667,  0.328899630000000 ]    mass: 132.905452    reduced_to: 97  - symbol: Cs # 101    coordinates: [  0.291033550000000,  0.750000000000000,  0.328899630000000 ]    mass: 132.905452    reduced_to: 97  - symbol: Cs # 102    coordinates: [  0.791033550000000,  0.750000000000000,  0.328899630000000 ]    mass: 132.905452    reduced_to: 97  - symbol: Cs # 103    coordinates: [  0.208966450000000,  0.250000000000000,  0.671100370000000 ]    mass: 132.905452    reduced_to: 103  - symbol: Cs # 104    coordinates: [  0.708966450000000,  0.250000000000000,  0.671100370000000 ]    mass: 132.905452    reduced_to: 103  - symbol: Cs # 105    coordinates: [  0.208966450000000,  0.583333333333333,  0.671100370000000 ]    mass: 132.905452    reduced_to: 103  - symbol: Cs # 106    coordinates: [  0.708966450000000,  0.583333333333333,  0.671100370000000 ]    mass: 132.905452    reduced_to: 103  - symbol: Cs # 107    coordinates: [  0.208966450000000,  0.916666666666667,  0.671100370000000 ]    mass: 132.905452    reduced_to: 103  - symbol: Cs # 108    coordinates: [  0.708966450000000,  0.916666666666667,  0.671100370000000 ]    mass: 132.905452    reduced_to: 103  - symbol: Cs # 109    coordinates: [  0.041033550000000,  0.083333333333333,  0.171100370000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 110    coordinates: [  0.541033550000000,  0.083333333333333,  0.171100370000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 111    coordinates: [  0.041033550000000,  0.416666666666667,  0.171100370000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 112    coordinates: [  0.541033550000000,  0.416666666666667,  0.171100370000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 113    coordinates: [  0.041033550000000,  0.750000000000000,  0.171100370000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 114    coordinates: [  0.541033550000000,  0.750000000000000,  0.171100370000000 ]    mass: 132.905452    reduced_to: 109  - symbol: Cs # 115    coordinates: [  0.458966450000000,  0.250000000000000,  0.828899630000000 ]    mass: 132.905452    reduced_to: 115  - symbol: Cs # 116    coordinates: [  0.958966450000000,  0.250000000000000,  0.828899630000000 ]    mass: 132.905452    reduced_to: 115  - symbol: Cs # 117    coordinates: [  0.458966450000000,  0.583333333333333,  0.828899630000000 ]    mass: 132.905452    reduced_to: 115  - symbol: Cs # 118    coordinates: [  0.958966450000000,  0.583333333333333,  0.828899630000000 ]    mass: 132.905452    reduced_to: 115  - symbol: Cs # 119    coordinates: [  0.458966450000000,  0.916666666666667,  0.828899630000000 ]    mass: 132.905452    reduced_to: 115  - symbol: Cs # 120    coordinates: [  0.958966450000000,  0.916666666666667,  0.828899630000000 ]    mass: 132.905452    reduced_to: 115born_effective_charge:- # 1 (Sn)  - [  2.732729510000000,  0.000000000000000, -0.602667450000000 ]  - [  0.000000000000000,  4.706096220000000,  0.000000000000000 ]  - [ -0.580901130000000,  0.000000000000000,  2.839193720000000 ]- # 2 (Sn)  - [  2.732729510000000,  0.000000000000000, -0.602667450000000 ]  - [  0.000000000000000,  4.706096220000000,  0.000000000000000 ]  - [ -0.580901130000000,  0.000000000000000,  2.839193720000000 ]- # 3 (Sn)  - [  2.732729510000000,  0.000000000000000,  0.602667450000000 ]  - [  0.000000000000000,  4.706096220000000,  0.000000000000000 ]  - [  0.580901130000000,  0.000000000000000,  2.839193720000000 ]- # 4 (Sn)  - [  2.732729510000000,  0.000000000000000,  0.602667450000000 ]  - [  0.000000000000000,  4.706096220000000,  0.000000000000000 ]  - [  0.580901130000000,  0.000000000000000,  2.839193720000000 ]- # 5 (I)  - [ -1.586122940000000,  0.000000000000000, -0.179114740000000 ]  - [  0.000000000000000, -2.302538500000000,  0.000000000000000 ]  - [ -0.170254540000000,  0.000000000000000, -1.507237030000000 ]- # 6 (I)  - [ -1.586122940000000,  0.000000000000000, -0.179114740000000 ]  - [  0.000000000000000, -2.302538500000000,  0.000000000000000 ]  - [ -0.170254540000000,  0.000000000000000, -1.507237030000000 ]- # 7 (I)  - [ -1.586122940000000,  0.000000000000000,  0.179114740000000 ]  - [  0.000000000000000, -2.302538500000000,  0.000000000000000 ]  - [  0.170254540000000,  0.000000000000000, -1.507237030000000 ]- # 8 (I)  - [ -1.586122940000000,  0.000000000000000,  0.179114740000000 ]  - [  0.000000000000000, -2.302538500000000,  0.000000000000000 ]  - [  0.170254540000000,  0.000000000000000, -1.507237030000000 ]- # 9 (I)  - [ -1.310669970000000,  0.000000000000000, -0.688034460000000 ]  - [  0.000000000000000, -0.753239460000000,  0.000000000000000 ]  - [ -0.663608350000000,  0.000000000000000, -2.035959500000000 ]- # 10 (I)  - [ -1.310669970000000,  0.000000000000000, -0.688034460000000 ]  - [  0.000000000000000, -0.753239460000000,  0.000000000000000 ]  - [ -0.663608350000000,  0.000000000000000, -2.035959500000000 ]- # 11 (I)  - [ -1.310669970000000,  0.000000000000000,  0.688034460000000 ]  - [  0.000000000000000, -0.753239460000000,  0.000000000000000 ]  - [  0.663608350000000,  0.000000000000000, -2.035959500000000 ]- # 12 (I)  - [ -1.310669970000000,  0.000000000000000,  0.688034460000000 ]  - [  0.000000000000000, -0.753239460000000,  0.000000000000000 ]  - [  0.663608350000000,  0.000000000000000, -2.035959500000000 ]- # 13 (I)  - [ -1.387937930000000,  0.000000000000000, -0.499408570000000 ]  - [  0.000000000000000, -2.801281540000000,  0.000000000000000 ]  - [ -0.406207920000000,  0.000000000000000, -0.922583060000000 ]- # 14 (I)  - [ -1.387937930000000,  0.000000000000000, -0.499408570000000 ]  - [  0.000000000000000, -2.801281540000000,  0.000000000000000 ]  - [ -0.406207920000000,  0.000000000000000, -0.922583060000000 ]- # 15 (I)  - [ -1.387937930000000,  0.000000000000000,  0.499408570000000 ]  - [  0.000000000000000, -2.801281540000000,  0.000000000000000 ]  - [  0.406207920000000,  0.000000000000000, -0.922583060000000 ]- # 16 (I)  - [ -1.387937930000000,  0.000000000000000,  0.499408570000000 ]  - [  0.000000000000000, -2.801281540000000,  0.000000000000000 ]  - [  0.406207920000000,  0.000000000000000, -0.922583060000000 ]- # 17 (Cs)  - [  1.552001320000000,  0.000000000000000,  0.110819410000000 ]  - [  0.000000000000000,  1.150963260000000,  0.000000000000000 ]  - [ -0.173849060000000,  0.000000000000000,  1.626585870000000 ]- # 18 (Cs)  - [  1.552001320000000,  0.000000000000000,  0.110819410000000 ]  - [  0.000000000000000,  1.150963260000000,  0.000000000000000 ]  - [ -0.173849060000000,  0.000000000000000,  1.626585870000000 ]- # 19 (Cs)  - [  1.552001320000000,  0.000000000000000, -0.110819410000000 ]  - [  0.000000000000000,  1.150963260000000,  0.000000000000000 ]  - [  0.173849060000000,  0.000000000000000,  1.626585870000000 ]- # 20 (Cs)  - [  1.552001320000000,  0.000000000000000, -0.110819410000000 ]  - [  0.000000000000000,  1.150963260000000,  0.000000000000000 ]  - [  0.173849060000000,  0.000000000000000,  1.626585870000000 ]dielectric_constant:  - [  5.171779820000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  6.104343870000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  5.106926440000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0293881200000000,  0.0000000000000000,  0.0076063300000000 ]  - [   0.0035355600000000,  0.0000000000000000,  0.0027681600000000 ]  - [  -0.0028242800000000, -0.0002663500000000,  0.0008019200000000 ]  - [   0.0034640300000000, -0.0000225700000000,  0.0027794400000000 ]  - [  -0.0028242800000000,  0.0002663500000000,  0.0008019200000000 ]  - [   0.0034640300000000,  0.0000225700000000,  0.0027794400000000 ]  - [  -0.0020239600000000, -0.0004086000000000, -0.0027284700000000 ]  - 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[  -0.0001195000000000,  0.0000000000000000, -0.0031770600000000 ]  - [  -0.0006618300000000, -0.0004963800000000, -0.0024810700000000 ]  - [  -0.0002571600000000,  0.0000884900000000, -0.0031535000000000 ]  - [  -0.0006618300000000,  0.0004963800000000, -0.0024810700000000 ]  - [  -0.0002571600000000, -0.0000884900000000, -0.0031535000000000 ]  - [   0.0017945000000000, -0.0006550700000000,  0.0026168800000000 ]  - [   0.0012759200000000,  0.0000556900000000,  0.0034090500000000 ]  - [   0.0005923900000000,  0.0000000000000000,  0.0030939100000000 ]  - [   0.0006976500000000,  0.0000000000000000,  0.0032382500000000 ]  - [   0.0017945000000000,  0.0006550700000000,  0.0026168800000000 ]  - [   0.0012759200000000, -0.0000556900000000,  0.0034090500000000 ]  - [  -0.0004009900000000,  0.0000000000000000,  0.0031887300000000 ]  - [  -0.0007746900000000,  0.0000000000000000,  0.0024033300000000 ]  - [  -0.0004180100000000, -0.0000034500000000,  0.0031813900000000 ]  - [  -0.0008376000000000,  0.0001136400000000,  0.0029768900000000 ]  - [  -0.0004180100000000,  0.0000034500000000,  0.0031813900000000 ]  - [  -0.0008376000000000, -0.0001136400000000,  0.0029768900000000 ]  - [  -0.0005411500000000, -0.0005517100000000, -0.0028711500000000 ]  - [   0.0008297200000000, -0.0000127300000000, -0.0031593000000000 ]  - [   0.0002942100000000,  0.0000000000000000, -0.0031729000000000 ]  - [   0.0008060300000000,  0.0000000000000000, -0.0031467200000000 ]  - [  -0.0005411500000000,  0.0005517100000000, -0.0028711500000000 ]  - [   0.0008297200000000,  0.0000127300000000, -0.0031593000000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0350002100000000,  0.0000000000000000, -0.0019700300000000 ]  - [   0.0022087000000000,  0.0000000000000000,  0.0029541200000000 ]  - [   0.0085315600000000,  0.0002784900000000,  0.0049406300000000 ]  - [   0.0022879700000000,  0.0000324000000000,  0.0029488200000000 ]  - [   0.0085315600000000, -0.0002784900000000,  0.0049406300000000 ]  - [   0.0022879700000000, -0.0000324000000000,  0.0029488200000000 ]  - [  -0.0037172300000000,  0.0004116100000000, -0.0029994700000000 ]  - [  -0.0052522000000000, -0.0025427600000000, -0.0002081100000000 ]  - [  -0.0035301400000000,  0.0000000000000000, -0.0030412500000000 ]  - [  -0.0021155600000000,  0.0000000000000000, -0.0028897700000000 ]  - [  -0.0037172300000000, -0.0004116100000000, -0.0029994700000000 ]  - [  -0.0052522000000000,  0.0025427600000000, -0.0002081100000000 ]  - [   0.0025937800000000,  0.0000000000000000, -0.0025249000000000 ]  - [   0.0026672600000000,  0.0000000000000000, -0.0033805400000000 ]  - [   0.0026669800000000,  0.0003121700000000, -0.0027437100000000 ]  - [   0.0027267000000000,  0.0000882900000000, -0.0032419800000000 ]  - [   0.0026669800000000, -0.0003121700000000, -0.0027437100000000 ]  - [   0.0027267000000000, -0.0000882900000000, -0.0032419800000000 ]  - [  -0.0025553000000000,  0.0001657700000000,  0.0032916000000000 ]  - [  -0.0032297100000000, -0.0000652500000000,  0.0028318600000000 ]  - 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