# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/516556ba-c8ce-4807-960b-a6562ed11b5d/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 Rb7NaGe8 / Pa-3 (205) / materials id 14407](https://mdr.nims.go.jp/datasets/2a379c7c-8939-44c5-9587-5d1f6b4a85cd)

## 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: "Pa-3"  number: 205  Hall_symbol: "-P 2ac 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    13.068386680000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.068386680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.068386680000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Na # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Na # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769  - symbol: Na # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769  - symbol: Ge # 5    coordinates: [  0.702520700000000,  0.702520700000000,  0.702520700000000 ]    mass: 72.640000  - symbol: Ge # 6    coordinates: [  0.797479300000000,  0.297479300000000,  0.202520700000000 ]    mass: 72.640000  - symbol: Ge # 7    coordinates: [  0.202520700000000,  0.797479300000000,  0.297479300000000 ]    mass: 72.640000  - symbol: Ge # 8    coordinates: [  0.297479300000000,  0.202520700000000,  0.797479300000000 ]    mass: 72.640000  - symbol: Ge # 9    coordinates: [  0.206784550000000,  0.925938640000000,  0.442872270000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.442872270000000,  0.206784550000000,  0.925938640000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.925938640000000,  0.442872270000000,  0.206784550000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.574061360000000,  0.557127730000000,  0.706784550000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.942872270000000,  0.293215450000000,  0.074061360000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.074061360000000,  0.942872270000000,  0.293215450000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.057127730000000,  0.793215450000000,  0.425938640000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.557127730000000,  0.706784550000000,  0.574061360000000 ]    mass: 72.640000  - symbol: Ge # 17    coordinates: [  0.425938640000000,  0.057127730000000,  0.793215450000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.702520700000000,  0.797479300000000,  0.202520700000000 ]    mass: 72.640000  - symbol: Ge # 19    coordinates: [  0.793215450000000,  0.425938640000000,  0.057127730000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.293215450000000,  0.074061360000000,  0.942872270000000 ]    mass: 72.640000  - symbol: Ge # 21    coordinates: [  0.793215450000000,  0.074061360000000,  0.557127730000000 ]    mass: 72.640000  - symbol: Ge # 22    coordinates: [  0.557127730000000,  0.793215450000000,  0.074061360000000 ]    mass: 72.640000  - symbol: Ge # 23    coordinates: [  0.074061360000000,  0.557127730000000,  0.793215450000000 ]    mass: 72.640000  - symbol: Ge # 24    coordinates: [  0.425938640000000,  0.442872270000000,  0.293215450000000 ]    mass: 72.640000  - symbol: Ge # 25    coordinates: [  0.057127730000000,  0.706784550000000,  0.925938640000000 ]    mass: 72.640000  - symbol: Ge # 26    coordinates: [  0.925938640000000,  0.057127730000000,  0.706784550000000 ]    mass: 72.640000  - symbol: Ge # 27    coordinates: [  0.942872270000000,  0.206784550000000,  0.574061360000000 ]    mass: 72.640000  - symbol: Ge # 28    coordinates: [  0.442872270000000,  0.293215450000000,  0.425938640000000 ]    mass: 72.640000  - symbol: Ge # 29    coordinates: [  0.574061360000000,  0.942872270000000,  0.206784550000000 ]    mass: 72.640000  - symbol: Ge # 30    coordinates: [  0.293215450000000,  0.425938640000000,  0.442872270000000 ]    mass: 72.640000  - symbol: Ge # 31    coordinates: [  0.206784550000000,  0.574061360000000,  0.942872270000000 ]    mass: 72.640000  - symbol: Ge # 32    coordinates: [  0.706784550000000,  0.925938640000000,  0.057127730000000 ]    mass: 72.640000  - symbol: Ge # 33    coordinates: [  0.797479300000000,  0.202520700000000,  0.702520700000000 ]    mass: 72.640000  - symbol: Ge # 34    coordinates: [  0.202520700000000,  0.702520700000000,  0.797479300000000 ]    mass: 72.640000  - symbol: Ge # 35    coordinates: [  0.706784550000000,  0.574061360000000,  0.557127730000000 ]    mass: 72.640000  - symbol: Ge # 36    coordinates: [  0.297479300000000,  0.297479300000000,  0.297479300000000 ]    mass: 72.640000  - symbol: Rb # 37    coordinates: [  0.813981090000000,  0.458372270000000,  0.774672260000000 ]    mass: 85.467800  - symbol: Rb # 38    coordinates: [  0.774672260000000,  0.813981090000000,  0.458372270000000 ]    mass: 85.467800  - symbol: Rb # 39    coordinates: [  0.186018910000000,  0.958372270000000,  0.725327740000000 ]    mass: 85.467800  - symbol: Rb # 40    coordinates: [  0.686018910000000,  0.541627730000000,  0.274672260000000 ]    mass: 85.467800  - symbol: Rb # 41    coordinates: [  0.725327740000000,  0.186018910000000,  0.958372270000000 ]    mass: 85.467800  - symbol: Rb # 42    coordinates: [  0.541627730000000,  0.274672260000000,  0.686018910000000 ]    mass: 85.467800  - symbol: Rb # 43    coordinates: [  0.958372270000000,  0.725327740000000,  0.186018910000000 ]    mass: 85.467800  - symbol: Rb # 44    coordinates: [  0.458372270000000,  0.774672260000000,  0.813981090000000 ]    mass: 85.467800  - symbol: Rb # 45    coordinates: [  0.958372270000000,  0.774672260000000,  0.686018910000000 ]    mass: 85.467800  - symbol: Rb # 46    coordinates: [  0.686018910000000,  0.958372270000000,  0.774672260000000 ]    mass: 85.467800  - symbol: Rb # 47    coordinates: [  0.774672260000000,  0.686018910000000,  0.958372270000000 ]    mass: 85.467800  - symbol: Rb # 48    coordinates: [  0.725327740000000,  0.313981090000000,  0.458372270000000 ]    mass: 85.467800  - symbol: Rb # 49    coordinates: [  0.274672260000000,  0.686018910000000,  0.541627730000000 ]    mass: 85.467800  - symbol: Rb # 50    coordinates: [  0.225327740000000,  0.186018910000000,  0.541627730000000 ]    mass: 85.467800  - symbol: Rb # 51    coordinates: [  0.813981090000000,  0.041627730000000,  0.274672260000000 ]    mass: 85.467800  - symbol: Rb # 52    coordinates: [  0.313981090000000,  0.458372270000000,  0.725327740000000 ]    mass: 85.467800  - symbol: Rb # 53    coordinates: [  0.274672260000000,  0.813981090000000,  0.041627730000000 ]    mass: 85.467800  - symbol: Rb # 54    coordinates: [  0.458372270000000,  0.725327740000000,  0.313981090000000 ]    mass: 85.467800  - symbol: Rb # 55    coordinates: [  0.041627730000000,  0.274672260000000,  0.813981090000000 ]    mass: 85.467800  - symbol: Rb # 56    coordinates: [  0.541627730000000,  0.225327740000000,  0.186018910000000 ]    mass: 85.467800  - symbol: Rb # 57    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800  - symbol: Rb # 58    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800  - symbol: Rb # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800  - symbol: Rb # 60    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800  - symbol: Rb # 61    coordinates: [  0.225327740000000,  0.313981090000000,  0.041627730000000 ]    mass: 85.467800  - symbol: Rb # 62    coordinates: [  0.313981090000000,  0.041627730000000,  0.225327740000000 ]    mass: 85.467800  - symbol: Rb # 63    coordinates: [  0.041627730000000,  0.225327740000000,  0.313981090000000 ]    mass: 85.467800  - symbol: Rb # 64    coordinates: [  0.186018910000000,  0.541627730000000,  0.225327740000000 ]    mass: 85.467800  reciprocal_lattice: # without 2pi  - [     0.076520539565179,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.076520539565179,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.076520539565179 ] # c*unit_cell:  lattice:  - [    13.068386680000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.068386680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.068386680000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Ge # 5    coordinates: [  0.702520700000000,  0.702520700000000,  0.702520700000000 ]    mass: 72.640000    reduced_to: 5  - symbol: Ge # 6    coordinates: [  0.797479300000000,  0.297479300000000,  0.202520700000000 ]    mass: 72.640000    reduced_to: 6  - symbol: Ge # 7    coordinates: [  0.202520700000000,  0.797479300000000,  0.297479300000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 8    coordinates: [  0.297479300000000,  0.202520700000000,  0.797479300000000 ]    mass: 72.640000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.206784550000000,  0.925938640000000,  0.442872270000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.442872270000000,  0.206784550000000,  0.925938640000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.925938640000000,  0.442872270000000,  0.206784550000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.574061360000000,  0.557127730000000,  0.706784550000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.942872270000000,  0.293215450000000,  0.074061360000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.074061360000000,  0.942872270000000,  0.293215450000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.057127730000000,  0.793215450000000,  0.425938640000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.557127730000000,  0.706784550000000,  0.574061360000000 ]    mass: 72.640000    reduced_to: 16  - symbol: Ge # 17    coordinates: [  0.425938640000000,  0.057127730000000,  0.793215450000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.702520700000000,  0.797479300000000,  0.202520700000000 ]    mass: 72.640000    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.793215450000000,  0.425938640000000,  0.057127730000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.293215450000000,  0.074061360000000,  0.942872270000000 ]    mass: 72.640000    reduced_to: 20  - symbol: Ge # 21    coordinates: [  0.793215450000000,  0.074061360000000,  0.557127730000000 ]    mass: 72.640000    reduced_to: 21  - symbol: Ge # 22    coordinates: [  0.557127730000000,  0.793215450000000,  0.074061360000000 ]    mass: 72.640000    reduced_to: 22  - symbol: Ge # 23    coordinates: [  0.074061360000000,  0.557127730000000,  0.793215450000000 ]    mass: 72.640000    reduced_to: 23  - symbol: Ge # 24    coordinates: [  0.425938640000000,  0.442872270000000,  0.293215450000000 ]    mass: 72.640000    reduced_to: 24  - symbol: Ge # 25    coordinates: [  0.057127730000000,  0.706784550000000,  0.925938640000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.925938640000000,  0.057127730000000,  0.706784550000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 27    coordinates: [  0.942872270000000,  0.206784550000000,  0.574061360000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.442872270000000,  0.293215450000000,  0.425938640000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.574061360000000,  0.942872270000000,  0.206784550000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.293215450000000,  0.425938640000000,  0.442872270000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.206784550000000,  0.574061360000000,  0.942872270000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.706784550000000,  0.925938640000000,  0.057127730000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.797479300000000,  0.202520700000000,  0.702520700000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.202520700000000,  0.702520700000000,  0.797479300000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.706784550000000,  0.574061360000000,  0.557127730000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.297479300000000,  0.297479300000000,  0.297479300000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Rb # 37    coordinates: [  0.813981090000000,  0.458372270000000,  0.774672260000000 ]    mass: 85.467800    reduced_to: 37  - symbol: Rb # 38    coordinates: [  0.774672260000000,  0.813981090000000,  0.458372270000000 ]    mass: 85.467800    reduced_to: 38  - symbol: Rb # 39    coordinates: [  0.186018910000000,  0.958372270000000,  0.725327740000000 ]    mass: 85.467800    reduced_to: 39  - symbol: Rb # 40    coordinates: [  0.686018910000000,  0.541627730000000,  0.274672260000000 ]    mass: 85.467800    reduced_to: 40  - symbol: Rb # 41    coordinates: [  0.725327740000000,  0.186018910000000,  0.958372270000000 ]    mass: 85.467800    reduced_to: 41  - symbol: Rb # 42    coordinates: [  0.541627730000000,  0.274672260000000,  0.686018910000000 ]    mass: 85.467800    reduced_to: 42  - symbol: Rb # 43    coordinates: [  0.958372270000000,  0.725327740000000,  0.186018910000000 ]    mass: 85.467800    reduced_to: 43  - symbol: Rb # 44    coordinates: [  0.458372270000000,  0.774672260000000,  0.813981090000000 ]    mass: 85.467800    reduced_to: 44  - symbol: Rb # 45    coordinates: [  0.958372270000000,  0.774672260000000,  0.686018910000000 ]    mass: 85.467800    reduced_to: 45  - symbol: Rb # 46    coordinates: [  0.686018910000000,  0.958372270000000,  0.774672260000000 ]    mass: 85.467800    reduced_to: 46  - symbol: Rb # 47    coordinates: [  0.774672260000000,  0.686018910000000,  0.958372270000000 ]    mass: 85.467800    reduced_to: 47  - symbol: Rb # 48    coordinates: [  0.725327740000000,  0.313981090000000,  0.458372270000000 ]    mass: 85.467800    reduced_to: 48  - symbol: Rb # 49    coordinates: [  0.274672260000000,  0.686018910000000,  0.541627730000000 ]    mass: 85.467800    reduced_to: 49  - symbol: Rb # 50    coordinates: [  0.225327740000000,  0.186018910000000,  0.541627730000000 ]    mass: 85.467800    reduced_to: 50  - symbol: Rb # 51    coordinates: [  0.813981090000000,  0.041627730000000,  0.274672260000000 ]    mass: 85.467800    reduced_to: 51  - symbol: Rb # 52    coordinates: [  0.313981090000000,  0.458372270000000,  0.725327740000000 ]    mass: 85.467800    reduced_to: 52  - symbol: Rb # 53    coordinates: [  0.274672260000000,  0.813981090000000,  0.041627730000000 ]    mass: 85.467800    reduced_to: 53  - symbol: Rb # 54    coordinates: [  0.458372270000000,  0.725327740000000,  0.313981090000000 ]    mass: 85.467800    reduced_to: 54  - symbol: Rb # 55    coordinates: [  0.041627730000000,  0.274672260000000,  0.813981090000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 56    coordinates: [  0.541627730000000,  0.225327740000000,  0.186018910000000 ]    mass: 85.467800    reduced_to: 56  - symbol: Rb # 57    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 57  - symbol: Rb # 58    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 58  - symbol: Rb # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 59  - symbol: Rb # 60    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 60  - symbol: Rb # 61    coordinates: [  0.225327740000000,  0.313981090000000,  0.041627730000000 ]    mass: 85.467800    reduced_to: 61  - symbol: Rb # 62    coordinates: [  0.313981090000000,  0.041627730000000,  0.225327740000000 ]    mass: 85.467800    reduced_to: 62  - symbol: Rb # 63    coordinates: [  0.041627730000000,  0.225327740000000,  0.313981090000000 ]    mass: 85.467800    reduced_to: 63  - symbol: Rb # 64    coordinates: [  0.186018910000000,  0.541627730000000,  0.225327740000000 ]    mass: 85.467800    reduced_to: 64supercell:  lattice:  - [    13.068386680000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.068386680000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.068386680000000 ] # c  points:  - symbol: Na # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 1  - symbol: Na # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 2  - symbol: Na # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 3  - symbol: Na # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 4  - symbol: Ge # 5    coordinates: [  0.702520700000000,  0.702520700000000,  0.702520700000000 ]    mass: 72.640000    reduced_to: 5  - symbol: Ge # 6    coordinates: [  0.797479300000000,  0.297479300000000,  0.202520700000000 ]    mass: 72.640000    reduced_to: 6  - symbol: Ge # 7    coordinates: [  0.202520700000000,  0.797479300000000,  0.297479300000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 8    coordinates: [  0.297479300000000,  0.202520700000000,  0.797479300000000 ]    mass: 72.640000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.206784550000000,  0.925938640000000,  0.442872270000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.442872270000000,  0.206784550000000,  0.925938640000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.925938640000000,  0.442872270000000,  0.206784550000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.574061360000000,  0.557127730000000,  0.706784550000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.942872270000000,  0.293215450000000,  0.074061360000000 ]    mass: 72.640000    reduced_to: 13  - 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