# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/30131ca2-d4de-4e98-98f6-7399c23d50b4/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 Ho3Ga5O12 / Ia-3d (230) / materials id 15575](https://mdr.nims.go.jp/datasets/3f77360c-dea6-48f7-b40a-7a452c21717f)

## 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: "Ia-3d"  number: 230  Hall_symbol: "-I 4bd 2c 3"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -6.111300220000000,     6.111300220000000,     6.111300220000000 ] # a  - [     6.111300220000000,    -6.111300220000000,     6.111300220000000 ] # b  - [     6.111300220000000,     6.111300220000000,    -6.111300220000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.093325090000000,  0.969702060000000,  0.677120770000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.969702060000000,  0.677120770000000,  0.093325090000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.623623030000000,  0.707418710000000,  0.530297940000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.406674910000000,  0.083795680000000,  0.876376970000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.093325090000000,  0.623623030000000,  0.416204320000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.416204320000000,  0.822879230000000,  0.792581290000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.707418710000000,  0.677120770000000,  0.083795680000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.677120770000000,  0.093325090000000,  0.969702060000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.792581290000000,  0.876376970000000,  0.969702060000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.677120770000000,  0.083795680000000,  0.707418710000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.416204320000000,  0.093325090000000,  0.623623030000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.530297940000000,  0.406674910000000,  0.822879230000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.822879230000000,  0.530297940000000,  0.406674910000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.083795680000000,  0.707418710000000,  0.677120770000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.876376970000000,  0.969702060000000,  0.792581290000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.969702060000000,  0.792581290000000,  0.876376970000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.623623030000000,  0.416204320000000,  0.093325090000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.707418710000000,  0.530297940000000,  0.623623030000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.792581290000000,  0.416204320000000,  0.822879230000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.207418710000000,  0.123623030000000,  0.030297940000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.083795680000000,  0.876376970000000,  0.406674910000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.876376970000000,  0.406674910000000,  0.083795680000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.822879230000000,  0.792581290000000,  0.416204320000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.406674910000000,  0.822879230000000,  0.530297940000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.906674910000000,  0.030297940000000,  0.322879230000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.030297940000000,  0.322879230000000,  0.906674910000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.376376970000000,  0.292581290000000,  0.469702060000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.593325090000000,  0.916204320000000,  0.123623030000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.906674910000000,  0.376376970000000,  0.583795680000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.583795680000000,  0.177120770000000,  0.207418710000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.292581290000000,  0.322879230000000,  0.916204320000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.322879230000000,  0.906674910000000,  0.030297940000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.593325090000000,  0.177120770000000,  0.469702060000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.177120770000000,  0.207418710000000,  0.583795680000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.123623030000000,  0.593325090000000,  0.916204320000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.469702060000000,  0.376376970000000,  0.292581290000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.916204320000000,  0.123623030000000,  0.593325090000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.207418710000000,  0.583795680000000,  0.177120770000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.292581290000000,  0.469702060000000,  0.376376970000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.376376970000000,  0.583795680000000,  0.906674910000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.030297940000000,  0.207418710000000,  0.123623030000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.123623030000000,  0.030297940000000,  0.207418710000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.916204320000000,  0.292581290000000,  0.322879230000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.177120770000000,  0.469702060000000,  0.593325090000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.469702060000000,  0.593325090000000,  0.177120770000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.583795680000000,  0.906674910000000,  0.376376970000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.322879230000000,  0.916204320000000,  0.292581290000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.530297940000000,  0.623623030000000,  0.707418710000000 ]    mass: 15.999400  - symbol: Ga # 49    coordinates: [  0.875000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 69.723000  - symbol: Ga # 50    coordinates: [  0.125000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 69.723000  - symbol: Ga # 51    coordinates: [  0.750000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 69.723000  - symbol: Ga # 52    coordinates: [  0.375000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 69.723000  - symbol: Ga # 53    coordinates: [  0.250000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 69.723000  - symbol: Ga # 54    coordinates: [  0.125000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 69.723000  - symbol: Ga # 55    coordinates: [  0.875000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 69.723000  - symbol: Ga # 56    coordinates: [  0.625000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 69.723000  - symbol: Ga # 57    coordinates: [  0.750000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 69.723000  - symbol: Ga # 58    coordinates: [  0.250000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 69.723000  - symbol: Ga # 59    coordinates: [  0.375000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 69.723000  - symbol: Ga # 60    coordinates: [  0.625000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 69.723000  - symbol: Ga # 61    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 62    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 63    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 64    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 65    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 66    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 67    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 68    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ho # 69    coordinates: [  0.875000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 164.930320  - symbol: Ho # 70    coordinates: [  0.625000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 164.930320  - symbol: Ho # 71    coordinates: [  0.250000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 164.930320  - symbol: Ho # 72    coordinates: [  0.750000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 164.930320  - symbol: Ho # 73    coordinates: [  0.875000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 164.930320  - symbol: Ho # 74    coordinates: [  0.625000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 164.930320  - symbol: Ho # 75    coordinates: [  0.125000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 164.930320  - symbol: Ho # 76    coordinates: [  0.375000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 164.930320  - symbol: Ho # 77    coordinates: [  0.750000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 164.930320  - symbol: Ho # 78    coordinates: [  0.250000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 164.930320  - symbol: Ho # 79    coordinates: [  0.125000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 164.930320  - symbol: Ho # 80    coordinates: [  0.375000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 164.930320  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.081815650025454,     0.081815650025454 ] # a*  - [     0.081815650025454,     0.000000000000000,     0.081815650025454 ] # b*  - [     0.081815650025454,     0.081815650025454,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    12.222600440000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.222600440000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.222600440000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.276748870000000,  0.400371900000000,  0.692953190000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.400371900000000,  0.692953190000000,  0.276748870000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.307046810000000,  0.223251130000000,  0.400371900000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.776748870000000,  0.099628100000000,  0.307046810000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.473251130000000,  0.942953190000000,  0.150371900000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.099628100000000,  0.692953190000000,  0.723251130000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.526748870000000,  0.557046810000000,  0.150371900000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.192953190000000,  0.776748870000000,  0.900371900000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.526748870000000,  0.442953190000000,  0.349628100000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.057046810000000,  0.650371900000000,  0.026748870000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.650371900000000,  0.973251130000000,  0.442953190000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.349628100000000,  0.473251130000000,  0.057046810000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.557046810000000,  0.849628100000000,  0.973251130000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.150371900000000,  0.526748870000000,  0.557046810000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.442953190000000,  0.349628100000000,  0.526748870000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.349628100000000,  0.526748870000000,  0.442953190000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.442953190000000,  0.650371900000000,  0.973251130000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.223251130000000,  0.400371900000000,  0.307046810000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.223251130000000,  0.599628100000000,  0.192953190000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.973251130000000,  0.057046810000000,  0.150371900000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.599628100000000,  0.807046810000000,  0.276748870000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.307046810000000,  0.776748870000000,  0.099628100000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.692953190000000,  0.723251130000000,  0.099628100000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.973251130000000,  0.557046810000000,  0.849628100000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.223251130000000,  0.099628100000000,  0.807046810000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.099628100000000,  0.807046810000000,  0.223251130000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.192953190000000,  0.276748870000000,  0.099628100000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.723251130000000,  0.400371900000000,  0.192953190000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.026748870000000,  0.557046810000000,  0.349628100000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.400371900000000,  0.807046810000000,  0.776748870000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.973251130000000,  0.942953190000000,  0.349628100000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.307046810000000,  0.723251130000000,  0.599628100000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.526748870000000,  0.942953190000000,  0.650371900000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.807046810000000,  0.776748870000000,  0.400371900000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.192953190000000,  0.723251130000000,  0.400371900000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.099628100000000,  0.192953190000000,  0.276748870000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.900371900000000,  0.692953190000000,  0.223251130000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.276748870000000,  0.900371900000000,  0.307046810000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.276748870000000,  0.099628100000000,  0.192953190000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.057046810000000,  0.849628100000000,  0.526748870000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.150371900000000,  0.973251130000000,  0.057046810000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.057046810000000,  0.150371900000000,  0.973251130000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.349628100000000,  0.973251130000000,  0.942953190000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.942953190000000,  0.650371900000000,  0.526748870000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.150371900000000,  0.026748870000000,  0.442953190000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.849628100000000,  0.526748870000000,  0.057046810000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.442953190000000,  0.849628100000000,  0.473251130000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.400371900000000,  0.307046810000000,  0.223251130000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.776748870000000,  0.900371900000000,  0.192953190000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 50    coordinates: [  0.900371900000000,  0.192953190000000,  0.776748870000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 51    coordinates: [  0.807046810000000,  0.723251130000000,  0.900371900000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 52    coordinates: [  0.276748870000000,  0.599628100000000,  0.807046810000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 53    coordinates: [  0.973251130000000,  0.442953190000000,  0.650371900000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 54    coordinates: [  0.599628100000000,  0.192953190000000,  0.223251130000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 55    coordinates: [  0.026748870000000,  0.057046810000000,  0.650371900000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 56    coordinates: [  0.692953190000000,  0.276748870000000,  0.400371900000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 57    coordinates: [  0.026748870000000,  0.942953190000000,  0.849628100000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 58    coordinates: [  0.557046810000000,  0.150371900000000,  0.526748870000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 59    coordinates: [  0.150371900000000,  0.473251130000000,  0.942953190000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 60    coordinates: [  0.849628100000000,  0.973251130000000,  0.557046810000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 61    coordinates: [  0.057046810000000,  0.349628100000000,  0.473251130000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 62    coordinates: [  0.650371900000000,  0.026748870000000,  0.057046810000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 63    coordinates: [  0.942953190000000,  0.849628100000000,  0.026748870000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 64    coordinates: [  0.849628100000000,  0.026748870000000,  0.942953190000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 65    coordinates: [  0.942953190000000,  0.150371900000000,  0.473251130000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 66    coordinates: [  0.723251130000000,  0.900371900000000,  0.807046810000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 67    coordinates: [  0.723251130000000,  0.099628100000000,  0.692953190000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 68    coordinates: [  0.473251130000000,  0.557046810000000,  0.650371900000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 69    coordinates: [  0.099628100000000,  0.307046810000000,  0.776748870000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 70    coordinates: [  0.807046810000000,  0.276748870000000,  0.599628100000000 ]    mass: 15.999400    reduced_to: 22  - 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