# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e5e9b239-e093-4a81-b669-2ec317f3d050/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 RbGe / P-43n (218) / materials id 1888](https://mdr.nims.go.jp/datasets/bdba9790-cc18-427b-9284-80b79c5d4f34)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P-43n"  number: 218  Hall_symbol: "P -4n 2 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    13.099998579999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.099998579999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.099998579999999 ] # c  points:  - symbol: Ge # 1    coordinates: [  0.069351440000000,  0.069351440000000,  0.069351440000000 ]    mass: 72.640000  - symbol: Ge # 2    coordinates: [  0.430648560000000,  0.569351440000000,  0.430648560000000 ]    mass: 72.640000  - symbol: Ge # 3    coordinates: [  0.430648560000000,  0.430648560000000,  0.569351440000000 ]    mass: 72.640000  - symbol: Ge # 4    coordinates: [  0.569351440000000,  0.430648560000000,  0.430648560000000 ]    mass: 72.640000  - symbol: Ge # 5    coordinates: [  0.930648560000000,  0.930648560000000,  0.069351440000000 ]    mass: 72.640000  - symbol: Ge # 6    coordinates: [  0.069351440000000,  0.930648560000000,  0.930648560000000 ]    mass: 72.640000  - symbol: Ge # 7    coordinates: [  0.930648560000000,  0.069351440000000,  0.930648560000000 ]    mass: 72.640000  - symbol: Ge # 8    coordinates: [  0.569351440000000,  0.569351440000000,  0.569351440000000 ]    mass: 72.640000  - symbol: Ge # 9    coordinates: [  0.063923530000000,  0.318463110000000,  0.424711990000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.436076470000000,  0.924711990000000,  0.181536890000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.436076470000000,  0.075288010000000,  0.818463110000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.075288010000000,  0.181536890000000,  0.563923530000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.924711990000000,  0.181536890000000,  0.436076470000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.818463110000000,  0.436076470000000,  0.075288010000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.181536890000000,  0.563923530000000,  0.075288010000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.424711990000000,  0.063923530000000,  0.318463110000000 ]    mass: 72.640000  - symbol: Ge # 17    coordinates: [  0.318463110000000,  0.424711990000000,  0.063923530000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.681536890000000,  0.575288010000000,  0.063923530000000 ]    mass: 72.640000  - symbol: Ge # 19    coordinates: [  0.424711990000000,  0.936076470000000,  0.681536890000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.681536890000000,  0.424711990000000,  0.936076470000000 ]    mass: 72.640000  - symbol: Ge # 21    coordinates: [  0.575288010000000,  0.936076470000000,  0.318463110000000 ]    mass: 72.640000  - symbol: Ge # 22    coordinates: [  0.575288010000000,  0.063923530000000,  0.681536890000000 ]    mass: 72.640000  - symbol: Ge # 23    coordinates: [  0.318463110000000,  0.575288010000000,  0.936076470000000 ]    mass: 72.640000  - symbol: Ge # 24    coordinates: [  0.063923530000000,  0.681536890000000,  0.575288010000000 ]    mass: 72.640000  - symbol: Ge # 25    coordinates: [  0.936076470000000,  0.318463110000000,  0.575288010000000 ]    mass: 72.640000  - symbol: Ge # 26    coordinates: [  0.936076470000000,  0.681536890000000,  0.424711990000000 ]    mass: 72.640000  - symbol: Ge # 27    coordinates: [  0.181536890000000,  0.436076470000000,  0.924711990000000 ]    mass: 72.640000  - symbol: Ge # 28    coordinates: [  0.818463110000000,  0.563923530000000,  0.924711990000000 ]    mass: 72.640000  - symbol: Ge # 29    coordinates: [  0.075288010000000,  0.818463110000000,  0.436076470000000 ]    mass: 72.640000  - symbol: Ge # 30    coordinates: [  0.924711990000000,  0.818463110000000,  0.563923530000000 ]    mass: 72.640000  - symbol: Ge # 31    coordinates: [  0.563923530000000,  0.075288010000000,  0.181536890000000 ]    mass: 72.640000  - symbol: Ge # 32    coordinates: [  0.563923530000000,  0.924711990000000,  0.818463110000000 ]    mass: 72.640000  - symbol: Rb # 33    coordinates: [  0.332940600000000,  0.332940600000000,  0.332940600000000 ]    mass: 85.467800  - symbol: Rb # 34    coordinates: [  0.167059400000000,  0.832940600000000,  0.167059400000000 ]    mass: 85.467800  - symbol: Rb # 35    coordinates: [  0.167059400000000,  0.167059400000000,  0.832940600000000 ]    mass: 85.467800  - symbol: Rb # 36    coordinates: [  0.832940600000000,  0.167059400000000,  0.167059400000000 ]    mass: 85.467800  - symbol: Rb # 37    coordinates: [  0.667059400000000,  0.667059400000000,  0.332940600000000 ]    mass: 85.467800  - symbol: Rb # 38    coordinates: [  0.332940600000000,  0.667059400000000,  0.667059400000000 ]    mass: 85.467800  - symbol: Rb # 39    coordinates: [  0.667059400000000,  0.332940600000000,  0.667059400000000 ]    mass: 85.467800  - symbol: Rb # 40    coordinates: [  0.832940600000000,  0.832940600000000,  0.832940600000000 ]    mass: 85.467800  - symbol: Rb # 41    coordinates: [  0.336276130000000,  0.140647970000000,  0.065329600000000 ]    mass: 85.467800  - symbol: Rb # 42    coordinates: [  0.163723870000000,  0.565329600000000,  0.359352030000000 ]    mass: 85.467800  - symbol: Rb # 43    coordinates: [  0.163723870000000,  0.434670400000000,  0.640647970000000 ]    mass: 85.467800  - symbol: Rb # 44    coordinates: [  0.434670400000000,  0.359352030000000,  0.836276130000000 ]    mass: 85.467800  - symbol: Rb # 45    coordinates: [  0.565329600000000,  0.359352030000000,  0.163723870000000 ]    mass: 85.467800  - symbol: Rb # 46    coordinates: [  0.640647970000000,  0.163723870000000,  0.434670400000000 ]    mass: 85.467800  - symbol: Rb # 47    coordinates: [  0.359352030000000,  0.836276130000000,  0.434670400000000 ]    mass: 85.467800  - symbol: Rb # 48    coordinates: [  0.065329600000000,  0.336276130000000,  0.140647970000000 ]    mass: 85.467800  - symbol: Rb # 49    coordinates: [  0.140647970000000,  0.065329600000000,  0.336276130000000 ]    mass: 85.467800  - symbol: Rb # 50    coordinates: [  0.859352030000000,  0.934670400000000,  0.336276130000000 ]    mass: 85.467800  - symbol: Rb # 51    coordinates: [  0.065329600000000,  0.663723870000000,  0.859352030000000 ]    mass: 85.467800  - symbol: Rb # 52    coordinates: [  0.859352030000000,  0.065329600000000,  0.663723870000000 ]    mass: 85.467800  - symbol: Rb # 53    coordinates: [  0.934670400000000,  0.663723870000000,  0.140647970000000 ]    mass: 85.467800  - symbol: Rb # 54    coordinates: [  0.934670400000000,  0.336276130000000,  0.859352030000000 ]    mass: 85.467800  - symbol: Rb # 55    coordinates: [  0.140647970000000,  0.934670400000000,  0.663723870000000 ]    mass: 85.467800  - symbol: Rb # 56    coordinates: [  0.336276130000000,  0.859352030000000,  0.934670400000000 ]    mass: 85.467800  - symbol: Rb # 57    coordinates: [  0.663723870000000,  0.140647970000000,  0.934670400000000 ]    mass: 85.467800  - symbol: Rb # 58    coordinates: [  0.663723870000000,  0.859352030000000,  0.065329600000000 ]    mass: 85.467800  - symbol: Rb # 59    coordinates: [  0.359352030000000,  0.163723870000000,  0.565329600000000 ]    mass: 85.467800  - symbol: Rb # 60    coordinates: [  0.640647970000000,  0.836276130000000,  0.565329600000000 ]    mass: 85.467800  - symbol: Rb # 61    coordinates: [  0.434670400000000,  0.640647970000000,  0.163723870000000 ]    mass: 85.467800  - symbol: Rb # 62    coordinates: [  0.565329600000000,  0.640647970000000,  0.836276130000000 ]    mass: 85.467800  - symbol: Rb # 63    coordinates: [  0.836276130000000,  0.434670400000000,  0.359352030000000 ]    mass: 85.467800  - symbol: Rb # 64    coordinates: [  0.836276130000000,  0.565329600000000,  0.640647970000000 ]    mass: 85.467800  reciprocal_lattice: # without 2pi  - [     0.076335886137172,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.076335886137172,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.076335886137172 ] # c*unit_cell:  lattice:  - [    13.099998579999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.099998579999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.099998579999999 ] # c  points:  - symbol: Ge # 1    coordinates: [  0.069351440000000,  0.069351440000000,  0.069351440000000 ]    mass: 72.640000    reduced_to: 1  - symbol: Ge # 2    coordinates: [  0.430648560000000,  0.569351440000000,  0.430648560000000 ]    mass: 72.640000    reduced_to: 2  - symbol: Ge # 3    coordinates: [  0.430648560000000,  0.430648560000000,  0.569351440000000 ]    mass: 72.640000    reduced_to: 3  - symbol: Ge # 4    coordinates: [  0.569351440000000,  0.430648560000000,  0.430648560000000 ]    mass: 72.640000    reduced_to: 4  - symbol: Ge # 5    coordinates: [  0.930648560000000,  0.930648560000000,  0.069351440000000 ]    mass: 72.640000    reduced_to: 5  - symbol: Ge # 6    coordinates: [  0.069351440000000,  0.930648560000000,  0.930648560000000 ]    mass: 72.640000    reduced_to: 6  - symbol: Ge # 7    coordinates: [  0.930648560000000,  0.069351440000000,  0.930648560000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 8    coordinates: [  0.569351440000000,  0.569351440000000,  0.569351440000000 ]    mass: 72.640000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.063923530000000,  0.318463110000000,  0.424711990000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.436076470000000,  0.924711990000000,  0.181536890000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.436076470000000,  0.075288010000000,  0.818463110000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.075288010000000,  0.181536890000000,  0.563923530000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.924711990000000,  0.181536890000000,  0.436076470000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.818463110000000,  0.436076470000000,  0.075288010000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.181536890000000,  0.563923530000000,  0.075288010000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.424711990000000,  0.063923530000000,  0.318463110000000 ]    mass: 72.640000    reduced_to: 16  - symbol: Ge # 17    coordinates: [  0.318463110000000,  0.424711990000000,  0.063923530000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.681536890000000,  0.575288010000000,  0.063923530000000 ]    mass: 72.640000    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.424711990000000,  0.936076470000000,  0.681536890000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.681536890000000,  0.424711990000000,  0.936076470000000 ]    mass: 72.640000    reduced_to: 20  - symbol: Ge # 21    coordinates: [  0.575288010000000,  0.936076470000000,  0.318463110000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.575288010000000,  0.063923530000000,  0.681536890000000 ]    mass: 72.640000    reduced_to: 22  - symbol: Ge # 23    coordinates: [  0.318463110000000,  0.575288010000000,  0.936076470000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.063923530000000,  0.681536890000000,  0.575288010000000 ]    mass: 72.640000    reduced_to: 24  - symbol: Ge # 25    coordinates: [  0.936076470000000,  0.318463110000000,  0.575288010000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.936076470000000,  0.681536890000000,  0.424711990000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 27    coordinates: [  0.181536890000000,  0.436076470000000,  0.924711990000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.818463110000000,  0.563923530000000,  0.924711990000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.075288010000000,  0.818463110000000,  0.436076470000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.924711990000000,  0.818463110000000,  0.563923530000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.563923530000000,  0.075288010000000,  0.181536890000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.563923530000000,  0.924711990000000,  0.818463110000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Rb # 33    coordinates: [  0.332940600000000,  0.332940600000000,  0.332940600000000 ]    mass: 85.467800    reduced_to: 33  - symbol: Rb # 34    coordinates: [  0.167059400000000,  0.832940600000000,  0.167059400000000 ]    mass: 85.467800    reduced_to: 34  - symbol: Rb # 35    coordinates: [  0.167059400000000,  0.167059400000000,  0.832940600000000 ]    mass: 85.467800    reduced_to: 35  - symbol: Rb # 36    coordinates: [  0.832940600000000,  0.167059400000000,  0.167059400000000 ]    mass: 85.467800    reduced_to: 36  - symbol: Rb # 37    coordinates: [  0.667059400000000,  0.667059400000000,  0.332940600000000 ]    mass: 85.467800    reduced_to: 37  - symbol: Rb # 38    coordinates: [  0.332940600000000,  0.667059400000000,  0.667059400000000 ]    mass: 85.467800    reduced_to: 38  - symbol: Rb # 39    coordinates: [  0.667059400000000,  0.332940600000000,  0.667059400000000 ]    mass: 85.467800    reduced_to: 39  - symbol: Rb # 40    coordinates: [  0.832940600000000,  0.832940600000000,  0.832940600000000 ]    mass: 85.467800    reduced_to: 40  - symbol: Rb # 41    coordinates: [  0.336276130000000,  0.140647970000000,  0.065329600000000 ]    mass: 85.467800    reduced_to: 41  - symbol: Rb # 42    coordinates: [  0.163723870000000,  0.565329600000000,  0.359352030000000 ]    mass: 85.467800    reduced_to: 42  - symbol: Rb # 43    coordinates: [  0.163723870000000,  0.434670400000000,  0.640647970000000 ]    mass: 85.467800    reduced_to: 43  - symbol: Rb # 44    coordinates: [  0.434670400000000,  0.359352030000000,  0.836276130000000 ]    mass: 85.467800    reduced_to: 44  - symbol: Rb # 45    coordinates: [  0.565329600000000,  0.359352030000000,  0.163723870000000 ]    mass: 85.467800    reduced_to: 45  - symbol: Rb # 46    coordinates: [  0.640647970000000,  0.163723870000000,  0.434670400000000 ]    mass: 85.467800    reduced_to: 46  - symbol: Rb # 47    coordinates: [  0.359352030000000,  0.836276130000000,  0.434670400000000 ]    mass: 85.467800    reduced_to: 47  - symbol: Rb # 48    coordinates: [  0.065329600000000,  0.336276130000000,  0.140647970000000 ]    mass: 85.467800    reduced_to: 48  - symbol: Rb # 49    coordinates: [  0.140647970000000,  0.065329600000000,  0.336276130000000 ]    mass: 85.467800    reduced_to: 49  - symbol: Rb # 50    coordinates: [  0.859352030000000,  0.934670400000000,  0.336276130000000 ]    mass: 85.467800    reduced_to: 50  - symbol: Rb # 51    coordinates: [  0.065329600000000,  0.663723870000000,  0.859352030000000 ]    mass: 85.467800    reduced_to: 51  - symbol: Rb # 52    coordinates: [  0.859352030000000,  0.065329600000000,  0.663723870000000 ]    mass: 85.467800    reduced_to: 52  - symbol: Rb # 53    coordinates: [  0.934670400000000,  0.663723870000000,  0.140647970000000 ]    mass: 85.467800    reduced_to: 53  - symbol: Rb # 54    coordinates: [  0.934670400000000,  0.336276130000000,  0.859352030000000 ]    mass: 85.467800    reduced_to: 54  - symbol: Rb # 55    coordinates: [  0.140647970000000,  0.934670400000000,  0.663723870000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 56    coordinates: [  0.336276130000000,  0.859352030000000,  0.934670400000000 ]    mass: 85.467800    reduced_to: 56  - symbol: Rb # 57    coordinates: [  0.663723870000000,  0.140647970000000,  0.934670400000000 ]    mass: 85.467800    reduced_to: 57  - symbol: Rb # 58    coordinates: [  0.663723870000000,  0.859352030000000,  0.065329600000000 ]    mass: 85.467800    reduced_to: 58  - symbol: Rb # 59    coordinates: [  0.359352030000000,  0.163723870000000,  0.565329600000000 ]    mass: 85.467800    reduced_to: 59  - symbol: Rb # 60    coordinates: [  0.640647970000000,  0.836276130000000,  0.565329600000000 ]    mass: 85.467800    reduced_to: 60  - symbol: Rb # 61    coordinates: [  0.434670400000000,  0.640647970000000,  0.163723870000000 ]    mass: 85.467800    reduced_to: 61  - symbol: Rb # 62    coordinates: [  0.565329600000000,  0.640647970000000,  0.836276130000000 ]    mass: 85.467800    reduced_to: 62  - symbol: Rb # 63    coordinates: [  0.836276130000000,  0.434670400000000,  0.359352030000000 ]    mass: 85.467800    reduced_to: 63  - symbol: Rb # 64    coordinates: [  0.836276130000000,  0.565329600000000,  0.640647970000000 ]    mass: 85.467800    reduced_to: 64supercell:  lattice:  - [    13.099998579999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.099998579999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.099998579999999 ] # c  points:  - symbol: Ge # 1    coordinates: [  0.069351440000000,  0.069351440000000,  0.069351440000000 ]    mass: 72.640000    reduced_to: 1  - symbol: Ge # 2    coordinates: [  0.430648560000000,  0.569351440000000,  0.430648560000000 ]    mass: 72.640000    reduced_to: 2  - symbol: Ge # 3    coordinates: [  0.430648560000000,  0.430648560000000,  0.569351440000000 ]    mass: 72.640000    reduced_to: 3  - symbol: Ge # 4    coordinates: [  0.569351440000000,  0.430648560000000,  0.430648560000000 ]    mass: 72.640000    reduced_to: 4  - symbol: Ge # 5    coordinates: [  0.930648560000000,  0.930648560000000,  0.069351440000000 ]    mass: 72.640000    reduced_to: 5  - 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