# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/54b3011c-559e-4491-96cf-17dc407e1c16/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 RbGeI3 / Pm-3m (221) / materials id 571458](https://mdr.nims.go.jp/datasets/cfaa781d-3317-4cbd-bc85-20f859197b5f)

## 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:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     5.773374680000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.773374680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.773374680000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800  - symbol: Ge # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: I  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 126.904470  - symbol: I  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 126.904470  - symbol: I  # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [     0.173208921198927,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.173208921198927,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.173208921198927 ] # c*unit_cell:  lattice:  - [     5.773374680000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     5.773374680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.773374680000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Ge # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 2  - symbol: I  # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 3  - symbol: I  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 126.904470    reduced_to: 4  - symbol: I  # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 5supercell:  lattice:  - [    17.320124040000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    17.320124040000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.320124040000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.166666666666667,  0.166666666666667,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.500000000000000,  0.166666666666667,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 3    coordinates: [  0.833333333333333,  0.166666666666667,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.166666666666667,  0.500000000000000,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 6    coordinates: [  0.833333333333333,  0.500000000000000,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 7    coordinates: [  0.166666666666667,  0.833333333333333,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 8    coordinates: [  0.500000000000000,  0.833333333333333,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 9    coordinates: [  0.833333333333333,  0.833333333333333,  0.166666666666667 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 10    coordinates: [  0.166666666666667,  0.166666666666667,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 11    coordinates: [  0.500000000000000,  0.166666666666667,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 12    coordinates: [  0.833333333333333,  0.166666666666667,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 13    coordinates: [  0.166666666666667,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 15    coordinates: [  0.833333333333333,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 16    coordinates: [  0.166666666666667,  0.833333333333333,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 17    coordinates: [  0.500000000000000,  0.833333333333333,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 18    coordinates: [  0.833333333333333,  0.833333333333333,  0.500000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 19    coordinates: [  0.166666666666667,  0.166666666666667,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 20    coordinates: [  0.500000000000000,  0.166666666666667,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 21    coordinates: [  0.833333333333333,  0.166666666666667,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 22    coordinates: [  0.166666666666667,  0.500000000000000,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 23    coordinates: [  0.500000000000000,  0.500000000000000,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 24    coordinates: [  0.833333333333333,  0.500000000000000,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 25    coordinates: [  0.166666666666667,  0.833333333333333,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 26    coordinates: [  0.500000000000000,  0.833333333333333,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 27    coordinates: [  0.833333333333333,  0.833333333333333,  0.833333333333333 ]    mass: 85.467800    reduced_to: 1  - symbol: Ge # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.333333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 30    coordinates: [  0.666666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 31    coordinates: [  0.000000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 32    coordinates: [  0.333333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 33    coordinates: [  0.666666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 34    coordinates: [  0.000000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 35    coordinates: [  0.333333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 36    coordinates: [  0.666666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.333333333333333 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.666666666666667 ]    mass: 72.640000    reduced_to: 28  - symbol: I  # 55    coordinates: [  0.166666666666667,  0.000000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 56    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 57    coordinates: [  0.833333333333333,  0.000000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 58    coordinates: [  0.166666666666667,  0.333333333333333,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 59    coordinates: [  0.500000000000000,  0.333333333333333,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 60    coordinates: [  0.833333333333333,  0.333333333333333,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 61    coordinates: [  0.166666666666667,  0.666666666666667,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 62    coordinates: [  0.500000000000000,  0.666666666666667,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 63    coordinates: [  0.833333333333333,  0.666666666666667,  0.000000000000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 64    coordinates: [  0.166666666666667,  0.000000000000000,  0.333333333333333 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 65    coordinates: [  0.500000000000000,  0.000000000000000,  0.333333333333333 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 66    coordinates: [  0.833333333333333,  0.000000000000000,  0.333333333333333 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 67    coordinates: [  0.166666666666667,  0.333333333333333,  0.333333333333333 ]    mass: 126.904470    reduced_to: 55  - 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symbol: I  # 84    coordinates: [  0.666666666666667,  0.000000000000000,  0.166666666666667 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 85    coordinates: [  0.000000000000000,  0.333333333333333,  0.166666666666667 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 86    coordinates: [  0.333333333333333,  0.333333333333333,  0.166666666666667 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 87    coordinates: [  0.666666666666667,  0.333333333333333,  0.166666666666667 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 88    coordinates: [  0.000000000000000,  0.666666666666667,  0.166666666666667 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 89    coordinates: [  0.333333333333333,  0.666666666666667,  0.166666666666667 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 90    coordinates: [  0.666666666666667,  0.666666666666667,  0.166666666666667 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 126.904470    reduced_to: 82  - 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symbol: I  # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.833333333333333 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 109    coordinates: [  0.000000000000000,  0.166666666666667,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 110    coordinates: [  0.333333333333333,  0.166666666666667,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 111    coordinates: [  0.666666666666667,  0.166666666666667,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 112    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 113    coordinates: [  0.333333333333333,  0.500000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 114    coordinates: [  0.666666666666667,  0.500000000000000,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 115    coordinates: [  0.000000000000000,  0.833333333333333,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 116    coordinates: [  0.333333333333333,  0.833333333333333,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 117    coordinates: [  0.666666666666667,  0.833333333333333,  0.000000000000000 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 118    coordinates: [  0.000000000000000,  0.166666666666667,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 119    coordinates: [  0.333333333333333,  0.166666666666667,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 120    coordinates: [  0.666666666666667,  0.166666666666667,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 121    coordinates: [  0.000000000000000,  0.500000000000000,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 122    coordinates: [  0.333333333333333,  0.500000000000000,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 123    coordinates: [  0.666666666666667,  0.500000000000000,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 124    coordinates: [  0.000000000000000,  0.833333333333333,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 125    coordinates: [  0.333333333333333,  0.833333333333333,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 126    coordinates: [  0.666666666666667,  0.833333333333333,  0.333333333333333 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 127    coordinates: [  0.000000000000000,  0.166666666666667,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 128    coordinates: [  0.333333333333333,  0.166666666666667,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 129    coordinates: [  0.666666666666667,  0.166666666666667,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 130    coordinates: [  0.000000000000000,  0.500000000000000,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 131    coordinates: [  0.333333333333333,  0.500000000000000,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 132    coordinates: [  0.666666666666667,  0.500000000000000,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 133    coordinates: [  0.000000000000000,  0.833333333333333,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 134    coordinates: [  0.333333333333333,  0.833333333333333,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109  - symbol: I  # 135    coordinates: [  0.666666666666667,  0.833333333333333,  0.666666666666667 ]    mass: 126.904470    reduced_to: 109born_effective_charge:- # 1 (Rb)  - [  0.731589090000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.731589090000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  0.731589090000000 ]- # 2 (Ge)  - [  4.501388880000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.501388880000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.501388880000000 ]- # 3 (I)  - [ -1.746883500000000,  0.000000000000000,  0.000000000000000 ]  - 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