# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d1db7610-226c-426d-90f7-6c5faf846630/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 Sr3HoRhO6 / R-3c (167) / materials id 18652](https://mdr.nims.go.jp/datasets/dac44df0-fc66-42f2-9167-751a6cd4ed96)

## 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: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.854029016666671,     2.802474956666664,     3.744457409999996 ] # a  - [    -4.854029013333328,     2.802474956666664,     3.744457409999996 ] # b  - [    -0.000000003333329,    -5.604949913333336,     3.744457409999996 ] # c  points:  - symbol: O  # 1    coordinates: [  0.456098610000000,  0.791084380000003,  0.590682460000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.791084380000000,  0.590682460000003,  0.456098610000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.590682460000000,  0.456098610000003,  0.791084380000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.708915610000000,  0.043901390000002,  0.909317540000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.043901390000000,  0.909317540000003,  0.708915610000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.909317540000000,  0.708915610000003,  0.043901390000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.543901390000000,  0.208915610000002,  0.409317530000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.208915610000000,  0.409317530000002,  0.543901390000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.409317530000000,  0.543901390000002,  0.208915610000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.291084390000000,  0.956098610000002,  0.090682470000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.090682470000000,  0.291084390000002,  0.956098610000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.956098610000000,  0.090682470000002,  0.291084390000000 ]    mass: 15.999400  - symbol: Sr # 13    coordinates: [  0.250000000000000,  0.619041600000003,  0.880958410000000 ]    mass: 87.620000  - symbol: Sr # 14    coordinates: [  0.880958410000000,  0.250000000000003,  0.619041600000000 ]    mass: 87.620000  - symbol: Sr # 15    coordinates: [  0.619041600000000,  0.880958410000003,  0.250000000000000 ]    mass: 87.620000  - symbol: Sr # 16    coordinates: [  0.750000000000000,  0.380958410000002,  0.119041590000000 ]    mass: 87.620000  - symbol: Sr # 17    coordinates: [  0.380958410000000,  0.119041590000002,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 18    coordinates: [  0.119041590000000,  0.750000000000002,  0.380958410000000 ]    mass: 87.620000  - symbol: Rh # 19    coordinates: [  0.500000000000000,  0.499999990000002,  0.500000000000000 ]    mass: 102.905500  - symbol: Rh # 20    coordinates: [  0.000000000000000,  0.999999990000001,  0.000000000000000 ]    mass: 102.905500  - symbol: Ho # 21    coordinates: [  0.750000000000000,  0.749999990000000,  0.750000000000000 ]    mass: 164.930320  - symbol: Ho # 22    coordinates: [  0.250000000000000,  0.249999990000002,  0.250000000000000 ]    mass: 164.930320  reciprocal_lattice: # without 2pi  - [     0.103007212864796,     0.059471242052855,     0.089020463270093 ] # a*  - [    -0.103007212864796,     0.059471242175374,     0.089020463270093 ] # b*  - [     0.000000000000000,    -0.118942484228230,     0.089020463270093 ] # c*unit_cell:  lattice:  - [     9.708058030000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.854029010000000,     8.407424870000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.233372230000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.510143460000000,  0.355272690000000,  0.945955150000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.845129230000000,  0.489856540000000,  0.945955150000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.644727310000000,  0.154870770000000,  0.945955150000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.821537430000000,  0.978060640000000,  0.887378180000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.156523210000000,  0.178462570000000,  0.887378180000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.021939360000000,  0.843476790000000,  0.887378180000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.823189880000000,  0.311393980000000,  0.720711510000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.488204100000000,  0.176810120000000,  0.720711510000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.688606020000000,  0.511795900000000,  0.720711510000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.511795900000000,  0.688606020000000,  0.779288490000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.311393980000000,  0.823189880000000,  0.779288490000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.176810120000000,  0.488204100000000,  0.779288490000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.176810120000000,  0.688606020000000,  0.279288490000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.511795900000000,  0.823189880000000,  0.279288490000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.311393980000000,  0.488204100000000,  0.279288490000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.488204100000000,  0.311393980000000,  0.220711510000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.823189880000000,  0.511795900000000,  0.220711510000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.688606020000000,  0.176810120000000,  0.220711510000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.489856540000000,  0.644727310000000,  0.054044850000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.154870770000000,  0.510143460000000,  0.054044850000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.355272690000000,  0.845129230000000,  0.054044850000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.178462570000000,  0.021939360000000,  0.112621820000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.978060640000000,  0.156523210000000,  0.112621820000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.843476790000000,  0.821537430000000,  0.112621820000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.843476790000000,  0.021939360000000,  0.612621820000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.178462570000000,  0.156523210000000,  0.612621820000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.978060640000000,  0.821537430000000,  0.612621820000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.154870770000000,  0.644727310000000,  0.554044850000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.489856540000000,  0.845129230000000,  0.554044850000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.355272690000000,  0.510143460000000,  0.554044850000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.156523210000000,  0.978060640000000,  0.387378180000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.821537430000000,  0.843476790000000,  0.387378180000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.021939360000000,  0.178462570000000,  0.387378180000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.845129230000000,  0.355272690000000,  0.445955150000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.644727310000000,  0.489856540000000,  0.445955150000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.510143460000000,  0.154870770000000,  0.445955150000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Sr # 37    coordinates: [  0.333333330000000,  0.035708260000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.964291740000000,  0.297625070000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 39    coordinates: [  0.702374930000000,  0.666666670000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 40    coordinates: [  0.000000000000000,  0.630958410000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 41    coordinates: [  0.630958410000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 42    coordinates: [  0.369041590000000,  0.369041590000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Sr # 43    coordinates: [  0.000000000000000,  0.369041590000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 44    coordinates: [  0.630958410000000,  0.630958410000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 45    coordinates: [  0.369041590000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 46    coordinates: [  0.666666670000000,  0.964291740000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 47    coordinates: [  0.297625070000000,  0.333333330000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 48    coordinates: [  0.035708260000000,  0.702374930000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Sr # 49    coordinates: [  0.666666670000000,  0.702374930000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 50    coordinates: [  0.297625070000000,  0.964291740000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 51    coordinates: [  0.035708260000000,  0.333333330000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 52    coordinates: [  0.333333330000000,  0.297625070000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 53    coordinates: [  0.964291740000000,  0.666666670000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 54    coordinates: [  0.702374930000000,  0.035708260000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Rh # 55    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 102.905500    reduced_to: 55  - symbol: Rh # 56    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 102.905500    reduced_to: 56  - symbol: Rh # 57    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 102.905500    reduced_to: 55  - symbol: Rh # 58    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 102.905500    reduced_to: 56  - symbol: Rh # 59    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 55  - symbol: Rh # 60    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 56  - symbol: Ho # 61    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 164.930320    reduced_to: 61  - symbol: Ho # 62    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 164.930320    reduced_to: 62  - symbol: Ho # 63    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 164.930320    reduced_to: 61  - symbol: Ho # 64    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 164.930320    reduced_to: 62  - symbol: Ho # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 164.930320    reduced_to: 61  - symbol: Ho # 66    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 164.930320    reduced_to: 62supercell:  lattice:  - [     9.708058030000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.854029010000000,     8.407424870000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.233372230000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.510143460000000,  0.355272690000000,  0.945955150000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.845129230000000,  0.489856540000000,  0.945955150000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.644727310000000,  0.154870770000000,  0.945955150000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.821537430000000,  0.978060640000000,  0.887378180000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.156523210000000,  0.178462570000000,  0.887378180000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.021939360000000,  0.843476790000000,  0.887378180000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.823189880000000,  0.311393980000000,  0.720711510000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.488204100000000,  0.176810120000000,  0.720711510000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.688606020000000,  0.511795900000000,  0.720711510000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.511795900000000,  0.688606020000000,  0.779288490000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.311393980000000,  0.823189880000000,  0.779288490000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.176810120000000,  0.488204100000000,  0.779288490000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.176810120000000,  0.688606020000000,  0.279288490000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.511795900000000,  0.823189880000000,  0.279288490000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.311393980000000,  0.488204100000000,  0.279288490000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.488204100000000,  0.311393980000000,  0.220711510000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.823189880000000,  0.511795900000000,  0.220711510000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.688606020000000,  0.176810120000000,  0.220711510000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.489856540000000,  0.644727310000000,  0.054044850000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.154870770000000,  0.510143460000000,  0.054044850000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.355272690000000,  0.845129230000000,  0.054044850000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.178462570000000,  0.021939360000000,  0.112621820000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.978060640000000,  0.156523210000000,  0.112621820000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.843476790000000,  0.821537430000000,  0.112621820000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.843476790000000,  0.021939360000000,  0.612621820000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.178462570000000,  0.156523210000000,  0.612621820000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.978060640000000,  0.821537430000000,  0.612621820000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.154870770000000,  0.644727310000000,  0.554044850000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.489856540000000,  0.845129230000000,  0.554044850000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.355272690000000,  0.510143460000000,  0.554044850000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.156523210000000,  0.978060640000000,  0.387378180000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.821537430000000,  0.843476790000000,  0.387378180000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.021939360000000,  0.178462570000000,  0.387378180000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.845129230000000,  0.355272690000000,  0.445955150000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.644727310000000,  0.489856540000000,  0.445955150000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.510143460000000,  0.154870770000000,  0.445955150000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Sr # 37    coordinates: [  0.333333330000000,  0.035708260000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.964291740000000,  0.297625070000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 39    coordinates: [  0.702374930000000,  0.666666670000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 40    coordinates: [  0.000000000000000,  0.630958410000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 41    coordinates: [  0.630958410000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 42    coordinates: [  0.369041590000000,  0.369041590000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Sr # 43    coordinates: [  0.000000000000000,  0.369041590000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 44    coordinates: [  0.630958410000000,  0.630958410000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 45    coordinates: [  0.369041590000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 46    coordinates: [  0.666666670000000,  0.964291740000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 47    coordinates: [  0.297625070000000,  0.333333330000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 48    coordinates: [  0.035708260000000,  0.702374930000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 42  - symbol: Sr # 49    coordinates: [  0.666666670000000,  0.702374930000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 50    coordinates: [  0.297625070000000,  0.964291740000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 51    coordinates: [  0.035708260000000,  0.333333330000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 52    coordinates: [  0.333333330000000,  0.297625070000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 53    coordinates: [  0.964291740000000,  0.666666670000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 41  - symbol: Sr # 54    coordinates: [  0.702374930000000,  0.035708260000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 42  - 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