# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c15832b7-27da-4e1b-ab47-f1db2b748aa2/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 Dy3Ga5O12 / Ia-3d (230) / materials id 15576](https://mdr.nims.go.jp/datasets/151f7e5f-c135-4bf5-868a-6ac60e854b31)

## 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:  - [    -6.126486960000000,     6.126486960000000,     6.126486960000000 ] # a  - [     6.126486960000000,    -6.126486960000000,     6.126486960000000 ] # b  - [     6.126486960000000,     6.126486960000000,    -6.126486960000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.677245350000000,  0.093557910000000,  0.970459300000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.093557910000000,  0.970459300000000,  0.677245350000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.529540700000000,  0.623098610000000,  0.706786050000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.876901390000000,  0.406442090000000,  0.083687440000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.416312560000000,  0.093557910000000,  0.623098610000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.793213950000000,  0.416312560000000,  0.822754650000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.083687440000000,  0.706786050000000,  0.677245350000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.970459300000000,  0.677245350000000,  0.093557910000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.970459300000000,  0.793213950000000,  0.876901390000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.706786050000000,  0.677245350000000,  0.083687440000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.623098610000000,  0.416312560000000,  0.093557910000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.822754650000000,  0.529540700000000,  0.406442090000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.406442090000000,  0.822754650000000,  0.529540700000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.677245350000000,  0.083687440000000,  0.706786050000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.793213950000000,  0.876901390000000,  0.970459300000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.876901390000000,  0.970459300000000,  0.793213950000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.093557910000000,  0.623098610000000,  0.416312560000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.623098610000000,  0.706786050000000,  0.529540700000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.822754650000000,  0.793213950000000,  0.416312560000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.029540700000000,  0.206786050000000,  0.123098610000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.406442090000000,  0.083687440000000,  0.876901390000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.083687440000000,  0.876901390000000,  0.406442090000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.416312560000000,  0.822754650000000,  0.793213950000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.529540700000000,  0.406442090000000,  0.822754650000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.322754650000000,  0.906442090000000,  0.029540700000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.906442090000000,  0.029540700000000,  0.322754650000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.470459300000000,  0.376901390000000,  0.293213950000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.123098610000000,  0.593557910000000,  0.916312560000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.583687440000000,  0.906442090000000,  0.376901390000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.206786050000000,  0.583687440000000,  0.177245350000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.916312560000000,  0.293213950000000,  0.322754650000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.029540700000000,  0.322754650000000,  0.906442090000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.470459300000000,  0.593557910000000,  0.177245350000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.583687440000000,  0.177245350000000,  0.206786050000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.916312560000000,  0.123098610000000,  0.593557910000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.293213950000000,  0.470459300000000,  0.376901390000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.593557910000000,  0.916312560000000,  0.123098610000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.177245350000000,  0.206786050000000,  0.583687440000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.376901390000000,  0.293213950000000,  0.470459300000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.906442090000000,  0.376901390000000,  0.583687440000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.123098610000000,  0.029540700000000,  0.206786050000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.206786050000000,  0.123098610000000,  0.029540700000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.322754650000000,  0.916312560000000,  0.293213950000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.593557910000000,  0.177245350000000,  0.470459300000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.177245350000000,  0.470459300000000,  0.593557910000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.376901390000000,  0.583687440000000,  0.906442090000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.293213950000000,  0.322754650000000,  0.916312560000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.706786050000000,  0.529540700000000,  0.623098610000000 ]    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: [  0.125000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 69.723000  - symbol: Ga # 52    coordinates: [  0.625000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 69.723000  - symbol: Ga # 53    coordinates: [  0.375000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 69.723000  - symbol: Ga # 54    coordinates: [  0.875000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 69.723000  - symbol: Ga # 55    coordinates: [  0.125000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 69.723000  - symbol: Ga # 56    coordinates: [  0.375000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 69.723000  - symbol: Ga # 57    coordinates: [  0.625000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 69.723000  - symbol: Ga # 58    coordinates: [  0.875000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 69.723000  - symbol: Ga # 59    coordinates: [  0.750000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 69.723000  - symbol: Ga # 60    coordinates: [  0.250000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 69.723000  - symbol: Ga # 61    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 62    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 63    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 64    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 65    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 66    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 69.723000  - symbol: Ga # 67    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Ga # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 69.723000  - symbol: Dy # 69    coordinates: [  0.625000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 162.500000  - symbol: Dy # 70    coordinates: [  0.875000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 162.500000  - symbol: Dy # 71    coordinates: [  0.625000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 162.500000  - symbol: Dy # 72    coordinates: [  0.875000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 162.500000  - symbol: Dy # 73    coordinates: [  0.250000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 162.500000  - symbol: Dy # 74    coordinates: [  0.750000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 162.500000  - symbol: Dy # 75    coordinates: [  0.375000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 162.500000  - symbol: Dy # 76    coordinates: [  0.125000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 162.500000  - symbol: Dy # 77    coordinates: [  0.375000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 162.500000  - symbol: Dy # 78    coordinates: [  0.125000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 162.500000  - symbol: Dy # 79    coordinates: [  0.750000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 162.500000  - symbol: Dy # 80    coordinates: [  0.250000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 162.500000  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.081612839995337,     0.081612839995337 ] # a*  - [     0.081612839995337,     0.000000000000000,     0.081612839995337 ] # b*  - [     0.081612839995337,     0.081612839995337,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    12.252973920000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.252973920000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.252973920000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.193385930000000,  0.777073370000000,  0.900171980000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.777073370000000,  0.900171980000000,  0.193385930000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.900171980000000,  0.806614070000000,  0.722926630000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.806614070000000,  0.277073370000000,  0.599828020000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.650171980000000,  0.972926630000000,  0.443385930000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.222926630000000,  0.599828020000000,  0.193385930000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.650171980000000,  0.027073370000000,  0.056614070000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.400171980000000,  0.693385930000000,  0.277073370000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.849828020000000,  0.027073370000000,  0.943385930000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.527073370000000,  0.556614070000000,  0.150171980000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.943385930000000,  0.150171980000000,  0.472926630000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.556614070000000,  0.849828020000000,  0.972926630000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.472926630000000,  0.056614070000000,  0.349828020000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.056614070000000,  0.650171980000000,  0.027073370000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.027073370000000,  0.943385930000000,  0.849828020000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.943385930000000,  0.849828020000000,  0.027073370000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.472926630000000,  0.943385930000000,  0.150171980000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.806614070000000,  0.722926630000000,  0.900171980000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.693385930000000,  0.722926630000000,  0.099828020000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.650171980000000,  0.472926630000000,  0.556614070000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.777073370000000,  0.099828020000000,  0.306614070000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.599828020000000,  0.806614070000000,  0.277073370000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.599828020000000,  0.193385930000000,  0.222926630000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.349828020000000,  0.472926630000000,  0.056614070000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.306614070000000,  0.722926630000000,  0.599828020000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.722926630000000,  0.599828020000000,  0.306614070000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.599828020000000,  0.693385930000000,  0.777073370000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.693385930000000,  0.222926630000000,  0.900171980000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.849828020000000,  0.527073370000000,  0.056614070000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.277073370000000,  0.900171980000000,  0.306614070000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.849828020000000,  0.472926630000000,  0.443385930000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.099828020000000,  0.806614070000000,  0.222926630000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.150171980000000,  0.027073370000000,  0.443385930000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.900171980000000,  0.306614070000000,  0.277073370000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.900171980000000,  0.693385930000000,  0.222926630000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.777073370000000,  0.599828020000000,  0.693385930000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.722926630000000,  0.400171980000000,  0.193385930000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.806614070000000,  0.777073370000000,  0.400171980000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.693385930000000,  0.777073370000000,  0.599828020000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.027073370000000,  0.556614070000000,  0.349828020000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.556614070000000,  0.650171980000000,  0.472926630000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.472926630000000,  0.556614070000000,  0.650171980000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.443385930000000,  0.849828020000000,  0.472926630000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.027073370000000,  0.443385930000000,  0.150171980000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.943385930000000,  0.650171980000000,  0.527073370000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.556614070000000,  0.349828020000000,  0.027073370000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.972926630000000,  0.943385930000000,  0.349828020000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.722926630000000,  0.900171980000000,  0.806614070000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.693385930000000,  0.277073370000000,  0.400171980000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 50    coordinates: [  0.277073370000000,  0.400171980000000,  0.693385930000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 51    coordinates: [  0.400171980000000,  0.306614070000000,  0.222926630000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 52    coordinates: [  0.306614070000000,  0.777073370000000,  0.099828020000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 53    coordinates: [  0.150171980000000,  0.472926630000000,  0.943385930000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 54    coordinates: [  0.722926630000000,  0.099828020000000,  0.693385930000000 ]    mass: 15.999400    reduced_to: 6  - 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