# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c4d43f58-531f-45c3-9b5b-8953e4fbadcf/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 Er3Ga5O12 / Ia-3d (230) / materials id 12236](https://mdr.nims.go.jp/datasets/a3bff10e-51c1-4079-b82a-33566a4128e0)

## 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:  - [    -6.097076870000000,     6.097076870000000,     6.097076870000000 ] # a  - [     6.097076870000000,    -6.097076870000000,     6.097076870000000 ] # b  - [     6.097076870000000,     6.097076870000000,    -6.097076870000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.906914740000000,  0.375907460000000,  0.583927400000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.583927400000000,  0.906914740000000,  0.375907460000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.322987340000000,  0.916072600000000,  0.291980060000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.593085260000000,  0.177012660000000,  0.468992720000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.906914740000000,  0.031007280000000,  0.322987340000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.031007280000000,  0.208019940000000,  0.124092540000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.291980060000000,  0.468992720000000,  0.375907460000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.375907460000000,  0.583927400000000,  0.906914740000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.208019940000000,  0.583927400000000,  0.177012660000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.375907460000000,  0.291980060000000,  0.468992720000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.031007280000000,  0.322987340000000,  0.906914740000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.916072600000000,  0.124092540000000,  0.593085260000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.124092540000000,  0.593085260000000,  0.916072600000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.468992720000000,  0.375907460000000,  0.291980060000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.177012660000000,  0.208019940000000,  0.583927400000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.583927400000000,  0.177012660000000,  0.208019940000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.322987340000000,  0.906914740000000,  0.031007280000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.291980060000000,  0.322987340000000,  0.916072600000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.208019940000000,  0.124092540000000,  0.031007280000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.791980060000000,  0.416072600000000,  0.822987340000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.468992720000000,  0.593085260000000,  0.177012660000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.177012660000000,  0.468992720000000,  0.593085260000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.124092540000000,  0.031007280000000,  0.208019940000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.593085260000000,  0.916072600000000,  0.124092540000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.093085260000000,  0.624092540000000,  0.416072600000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.416072600000000,  0.093085260000000,  0.624092540000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.677012660000000,  0.083927400000000,  0.708019940000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.406914740000000,  0.822987340000000,  0.531007280000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.093085260000000,  0.968992720000000,  0.677012660000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.968992720000000,  0.791980060000000,  0.875907460000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.708019940000000,  0.531007280000000,  0.624092540000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.624092540000000,  0.416072600000000,  0.093085260000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.406914740000000,  0.083927400000000,  0.875907460000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.875907460000000,  0.968992720000000,  0.791980060000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.822987340000000,  0.531007280000000,  0.406914740000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.083927400000000,  0.708019940000000,  0.677012660000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.531007280000000,  0.406914740000000,  0.822987340000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.791980060000000,  0.875907460000000,  0.968992720000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.708019940000000,  0.677012660000000,  0.083927400000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.677012660000000,  0.093085260000000,  0.968992720000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.416072600000000,  0.822987340000000,  0.791980060000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.822987340000000,  0.791980060000000,  0.416072600000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.531007280000000,  0.624092540000000,  0.708019940000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.875907460000000,  0.406914740000000,  0.083927400000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.083927400000000,  0.875907460000000,  0.406914740000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.968992720000000,  0.677012660000000,  0.093085260000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.624092540000000,  0.708019940000000,  0.531007280000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.916072600000000,  0.291980060000000,  0.322987340000000 ]    mass: 15.999400  - symbol: Ga # 49    coordinates: [  0.750000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 69.723000  - symbol: Ga # 50    coordinates: [  0.250000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 69.723000  - symbol: Ga # 51    coordinates: [  0.375000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 69.723000  - symbol: Ga # 52    coordinates: [  0.875000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 69.723000  - symbol: Ga # 53    coordinates: [  0.125000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 69.723000  - symbol: Ga # 54    coordinates: [  0.625000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 69.723000  - symbol: Ga # 55    coordinates: [  0.250000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 69.723000  - symbol: Ga # 56    coordinates: [  0.125000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 69.723000  - symbol: Ga # 57    coordinates: [  0.375000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 69.723000  - symbol: Ga # 58    coordinates: [  0.875000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 69.723000  - symbol: Ga # 59    coordinates: [  0.625000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 69.723000  - symbol: Ga # 60    coordinates: [  0.750000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 69.723000  - symbol: Ga # 61    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 62    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 63    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 64    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 66    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 67    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 68    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Er # 69    coordinates: [  0.750000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 167.259000  - symbol: Er # 70    coordinates: [  0.625000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 167.259000  - symbol: Er # 71    coordinates: [  0.875000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 167.259000  - symbol: Er # 72    coordinates: [  0.875000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 167.259000  - symbol: Er # 73    coordinates: [  0.625000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 167.259000  - symbol: Er # 74    coordinates: [  0.250000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 167.259000  - symbol: Er # 75    coordinates: [  0.250000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 167.259000  - symbol: Er # 76    coordinates: [  0.375000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 167.259000  - symbol: Er # 77    coordinates: [  0.125000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 167.259000  - symbol: Er # 78    coordinates: [  0.125000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 167.259000  - symbol: Er # 79    coordinates: [  0.375000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 167.259000  - symbol: Er # 80    coordinates: [  0.750000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 167.259000  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.082006510769152,     0.082006510769152 ] # a*  - [     0.082006510769152,     0.000000000000000,     0.082006510769152 ] # b*  - [     0.082006510769152,     0.082006510769152,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    12.194153740000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.194153740000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.194153740000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.526460060000000,  0.057467340000000,  0.849447400000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.349447400000000,  0.026460060000000,  0.557467340000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.442532660000000,  0.849447400000000,  0.473539940000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.026460060000000,  0.442532660000000,  0.150552600000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.723539940000000,  0.599447400000000,  0.307467340000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.150552600000000,  0.973539940000000,  0.057467340000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.276460060000000,  0.099447400000000,  0.192532660000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.057467340000000,  0.849447400000000,  0.526460060000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.276460060000000,  0.900552600000000,  0.307467340000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.192532660000000,  0.276460060000000,  0.099447400000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.099447400000000,  0.807467340000000,  0.223539940000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.400552600000000,  0.192532660000000,  0.723539940000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.192532660000000,  0.723539940000000,  0.400552600000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.099447400000000,  0.192532660000000,  0.276460060000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.807467340000000,  0.776460060000000,  0.400552600000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.900552600000000,  0.307467340000000,  0.276460060000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.307467340000000,  0.723539940000000,  0.599447400000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.973539940000000,  0.942532660000000,  0.349447400000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.973539940000000,  0.057467340000000,  0.150552600000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.723539940000000,  0.099447400000000,  0.692532660000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.150552600000000,  0.026460060000000,  0.442532660000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.942532660000000,  0.650552600000000,  0.526460060000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.057467340000000,  0.150552600000000,  0.973539940000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.223539940000000,  0.900552600000000,  0.692532660000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.473539940000000,  0.942532660000000,  0.150552600000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.650552600000000,  0.973539940000000,  0.442532660000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.557467340000000,  0.150552600000000,  0.526460060000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.973539940000000,  0.557467340000000,  0.849447400000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.276460060000000,  0.400552600000000,  0.692532660000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.849447400000000,  0.026460060000000,  0.942532660000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.723539940000000,  0.900552600000000,  0.807467340000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.942532660000000,  0.150552600000000,  0.473539940000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.776460060000000,  0.099447400000000,  0.307467340000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.942532660000000,  0.849447400000000,  0.026460060000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.057467340000000,  0.349447400000000,  0.473539940000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.150552600000000,  0.526460060000000,  0.557467340000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.849447400000000,  0.973539940000000,  0.557467340000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.026460060000000,  0.942532660000000,  0.849447400000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.026460060000000,  0.057467340000000,  0.650552600000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.692532660000000,  0.276460060000000,  0.400552600000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.099447400000000,  0.692532660000000,  0.723539940000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.192532660000000,  0.223539940000000,  0.599447400000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.900552600000000,  0.807467340000000,  0.723539940000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.807467340000000,  0.276460060000000,  0.599447400000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.599447400000000,  0.807467340000000,  0.276460060000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.900552600000000,  0.192532660000000,  0.776460060000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.807467340000000,  0.723539940000000,  0.900552600000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.849447400000000,  0.473539940000000,  0.442532660000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.026460060000000,  0.557467340000000,  0.349447400000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 50    coordinates: [  0.849447400000000,  0.526460060000000,  0.057467340000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 51    coordinates: [  0.942532660000000,  0.349447400000000,  0.973539940000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 52    coordinates: [  0.526460060000000,  0.942532660000000,  0.650552600000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 53    coordinates: [  0.223539940000000,  0.099447400000000,  0.807467340000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 54    coordinates: [  0.650552600000000,  0.473539940000000,  0.557467340000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 55    coordinates: [  0.776460060000000,  0.599447400000000,  0.692532660000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 56    coordinates: [  0.557467340000000,  0.349447400000000,  0.026460060000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 57    coordinates: [  0.776460060000000,  0.400552600000000,  0.807467340000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 58    coordinates: [  0.692532660000000,  0.776460060000000,  0.599447400000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 59    coordinates: [  0.599447400000000,  0.307467340000000,  0.723539940000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 60    coordinates: [  0.900552600000000,  0.692532660000000,  0.223539940000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 61    coordinates: [  0.692532660000000,  0.223539940000000,  0.900552600000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 62    coordinates: [  0.599447400000000,  0.692532660000000,  0.776460060000000 ]    mass: 15.999400    reduced_to: 14  - 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