# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c7a496bc-fb69-4a08-ab7e-ddc2f2918e93/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 In6Ga2PtO8 / Fm-3m (225) / materials id 21084](https://mdr.nims.go.jp/datasets/5b4279e1-9201-4610-84ae-8dc7fab0891b)

## 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: "Fm-3m"  number: 225  Hall_symbol: "-F 4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     5.013624830000000,     5.013624830000000 ] # a  - [     5.013624830000000,     0.000000000000000,     5.013624830000000 ] # b  - [     5.013624830000000,     5.013624830000000,     0.000000000000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.641030430000000,  0.641030430000000,  0.076908710000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.923091290000000,  0.358969570000000,  0.358969570000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.358969570000000,  0.923091290000000,  0.358969570000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.358969570000000,  0.358969570000000,  0.358969570000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.641030430000000,  0.076908710000000,  0.641030430000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.641030430000000,  0.641030430000000,  0.641030430000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.076908710000000,  0.641030430000000,  0.641030430000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.358969570000000,  0.358969570000000,  0.923091290000000 ]    mass: 15.999400  - symbol: Ga # 9    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 69.723000  - symbol: Ga # 10    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 69.723000  - symbol: In # 11    coordinates: [  0.746785780000000,  0.746785780000000,  0.253214220000000 ]    mass: 114.818000  - symbol: In # 12    coordinates: [  0.253214220000000,  0.746785780000000,  0.746785780000000 ]    mass: 114.818000  - symbol: In # 13    coordinates: [  0.746785780000000,  0.253214220000000,  0.253214220000000 ]    mass: 114.818000  - symbol: In # 14    coordinates: [  0.746785780000000,  0.253214220000000,  0.746785780000000 ]    mass: 114.818000  - symbol: In # 15    coordinates: [  0.253214220000000,  0.746785780000000,  0.253214220000000 ]    mass: 114.818000  - symbol: In # 16    coordinates: [  0.253214220000000,  0.253214220000000,  0.746785780000000 ]    mass: 114.818000  - symbol: Pt # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 195.084000  reciprocal_lattice: # without 2pi  - [    -0.099728243926062,     0.099728243926062,     0.099728243926062 ] # a*  - [     0.099728243926062,    -0.099728243926062,     0.099728243926062 ] # b*  - [     0.099728243926062,     0.099728243926062,    -0.099728243926062 ] # c*unit_cell:  lattice:  - [    10.027249660000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.027249660000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.027249660000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.358969570000000,  0.858969570000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.358969570000000,  0.141030430000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.641030430000000,  0.858969570000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.358969570000000,  0.858969570000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.358969570000000,  0.141030430000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.641030430000000,  0.141030430000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.641030430000000,  0.858969570000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.641030430000000,  0.141030430000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.358969570000000,  0.358969570000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.358969570000000,  0.641030430000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 11    coordinates: [  0.641030430000000,  0.358969570000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 12    coordinates: [  0.358969570000000,  0.358969570000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 13    coordinates: [  0.358969570000000,  0.641030430000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 14    coordinates: [  0.641030430000000,  0.641030430000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 15    coordinates: [  0.641030430000000,  0.358969570000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 16    coordinates: [  0.641030430000000,  0.641030430000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 17    coordinates: [  0.858969570000000,  0.858969570000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.858969570000000,  0.141030430000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 19    coordinates: [  0.141030430000000,  0.858969570000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 20    coordinates: [  0.858969570000000,  0.858969570000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 21    coordinates: [  0.858969570000000,  0.141030430000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 22    coordinates: [  0.141030430000000,  0.141030430000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 23    coordinates: [  0.141030430000000,  0.858969570000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 24    coordinates: [  0.141030430000000,  0.141030430000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 25    coordinates: [  0.858969570000000,  0.358969570000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.858969570000000,  0.641030430000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.141030430000000,  0.358969570000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.858969570000000,  0.358969570000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.858969570000000,  0.641030430000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.141030430000000,  0.641030430000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.141030430000000,  0.358969570000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.141030430000000,  0.641030430000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: Ga # 33    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 34    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 35    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 36    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 37    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 38    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 39    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 40    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 34  - symbol: In # 41    coordinates: [  0.500000000000000,  0.000000000000000,  0.246785780000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 42    coordinates: [  0.746785780000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 42  - symbol: In # 43    coordinates: [  0.253214220000000,  0.000000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 43  - symbol: In # 44    coordinates: [  0.500000000000000,  0.246785780000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 44  - symbol: In # 45    coordinates: [  0.500000000000000,  0.753214220000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 45  - symbol: In # 46    coordinates: [  0.500000000000000,  0.000000000000000,  0.753214220000000 ]    mass: 114.818000    reduced_to: 46  - symbol: In # 47    coordinates: [  0.500000000000000,  0.500000000000000,  0.746785780000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 48    coordinates: [  0.746785780000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 42  - symbol: In # 49    coordinates: [  0.253214220000000,  0.500000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 43  - symbol: In # 50    coordinates: [  0.500000000000000,  0.746785780000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 44  - symbol: In # 51    coordinates: [  0.500000000000000,  0.253214220000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 45  - symbol: In # 52    coordinates: [  0.500000000000000,  0.500000000000000,  0.253214220000000 ]    mass: 114.818000    reduced_to: 46  - symbol: In # 53    coordinates: [  0.000000000000000,  0.000000000000000,  0.746785780000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 54    coordinates: [  0.246785780000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 42  - symbol: In # 55    coordinates: [  0.753214220000000,  0.000000000000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 43  - symbol: In # 56    coordinates: [  0.000000000000000,  0.246785780000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 44  - symbol: In # 57    coordinates: [  0.000000000000000,  0.753214220000000,  0.500000000000000 ]    mass: 114.818000    reduced_to: 45  - symbol: In # 58    coordinates: [  0.000000000000000,  0.000000000000000,  0.253214220000000 ]    mass: 114.818000    reduced_to: 46  - symbol: In # 59    coordinates: [  0.000000000000000,  0.500000000000000,  0.246785780000000 ]    mass: 114.818000    reduced_to: 41  - symbol: In # 60    coordinates: [  0.246785780000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 42  - symbol: In # 61    coordinates: [  0.753214220000000,  0.500000000000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 43  - symbol: In # 62    coordinates: [  0.000000000000000,  0.746785780000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 44  - symbol: In # 63    coordinates: [  0.000000000000000,  0.253214220000000,  0.000000000000000 ]    mass: 114.818000    reduced_to: 45  - symbol: In # 64    coordinates: [  0.000000000000000,  0.500000000000000,  0.753214220000000 ]    mass: 114.818000    reduced_to: 46  - symbol: Pt # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 65  - symbol: Pt # 66    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 65  - symbol: Pt # 67    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 195.084000    reduced_to: 65  - symbol: Pt # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 195.084000    reduced_to: 65supercell:  lattice:  - [    10.027249660000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.027249660000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.027249660000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.358969570000000,  0.858969570000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.358969570000000,  0.141030430000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.641030430000000,  0.858969570000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.358969570000000,  0.858969570000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.358969570000000,  0.141030430000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.641030430000000,  0.141030430000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.641030430000000,  0.858969570000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.641030430000000,  0.141030430000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.358969570000000,  0.358969570000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.358969570000000,  0.641030430000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 11    coordinates: [  0.641030430000000,  0.358969570000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 12    coordinates: [  0.358969570000000,  0.358969570000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 13    coordinates: [  0.358969570000000,  0.641030430000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 14    coordinates: [  0.641030430000000,  0.641030430000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 15    coordinates: [  0.641030430000000,  0.358969570000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 16    coordinates: [  0.641030430000000,  0.641030430000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 17    coordinates: [  0.858969570000000,  0.858969570000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.858969570000000,  0.141030430000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 19    coordinates: [  0.141030430000000,  0.858969570000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 20    coordinates: [  0.858969570000000,  0.858969570000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 21    coordinates: [  0.858969570000000,  0.141030430000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 22    coordinates: [  0.141030430000000,  0.141030430000000,  0.641030430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 23    coordinates: [  0.141030430000000,  0.858969570000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 24    coordinates: [  0.141030430000000,  0.141030430000000,  0.358969570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 25    coordinates: [  0.858969570000000,  0.358969570000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.858969570000000,  0.641030430000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.141030430000000,  0.358969570000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.858969570000000,  0.358969570000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.858969570000000,  0.641030430000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.141030430000000,  0.641030430000000,  0.141030430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.141030430000000,  0.358969570000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.141030430000000,  0.641030430000000,  0.858969570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: Ga # 33    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 34    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 35    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 36    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 37    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 38    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 39    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 40    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 69.723000    reduced_to: 34  - 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