# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cd08fd87-df18-4e63-99c2-914e462eb0cc/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 Y2Ge2O7 / P4_32_12 (96) / materials id 13546](https://mdr.nims.go.jp/datasets/68c4a70d-91d5-4846-8847-06a5358a5f8c)

## 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: "P4_32_12"  number: 96  Hall_symbol: "P 4nw 2abw"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.796123240000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.796123240000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.366830430000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.143730240000000,  0.682248730000000,  0.044454210000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.856269760000000,  0.317751270000000,  0.544454210000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.682248730000000,  0.143730240000000,  0.955545790000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.182248730000000,  0.356269760000000,  0.294454210000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.817751270000000,  0.643730240000000,  0.794454210000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.356269760000000,  0.182248730000000,  0.705545790000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.643730240000000,  0.817751270000000,  0.205545790000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.317751270000000,  0.856269760000000,  0.455545790000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.338053740000000,  0.065121890000000,  0.071180040000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.661946260000000,  0.934878110000000,  0.571180040000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.065121890000000,  0.338053740000000,  0.928819960000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.565121890000000,  0.161946260000000,  0.321180040000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.434878110000000,  0.838053740000000,  0.821180040000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.161946260000000,  0.565121890000000,  0.678819960000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.838053740000000,  0.434878110000000,  0.178819960000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.934878110000000,  0.661946260000000,  0.428819960000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.197095080000000,  0.802904920000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.697095080000000,  0.697095080000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.302904920000000,  0.302904920000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.802904920000000,  0.197095080000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.921536680000000,  0.032949430000000,  0.377572900000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.467050570000000,  0.421536680000000,  0.127572900000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.532949430000000,  0.578463320000000,  0.627572900000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.421536680000000,  0.467050570000000,  0.872427100000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.578463320000000,  0.532949430000000,  0.372427100000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.078463320000000,  0.967050570000000,  0.877572900000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.032949430000000,  0.921536680000000,  0.622427100000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.967050570000000,  0.078463320000000,  0.122427100000000 ]    mass: 15.999400  - symbol: Ge # 29    coordinates: [  0.151685780000000,  0.900280670000000,  0.118869330000000 ]    mass: 72.640000  - symbol: Ge # 30    coordinates: [  0.848314220000000,  0.099719330000000,  0.618869330000000 ]    mass: 72.640000  - symbol: Ge # 31    coordinates: [  0.900280670000000,  0.151685780000000,  0.881130670000000 ]    mass: 72.640000  - symbol: Ge # 32    coordinates: [  0.400280670000000,  0.348314220000000,  0.368869330000000 ]    mass: 72.640000  - symbol: Ge # 33    coordinates: [  0.599719330000000,  0.651685780000000,  0.868869330000000 ]    mass: 72.640000  - symbol: Ge # 34    coordinates: [  0.348314220000000,  0.400280670000000,  0.631130670000000 ]    mass: 72.640000  - symbol: Ge # 35    coordinates: [  0.651685780000000,  0.599719330000000,  0.131130670000000 ]    mass: 72.640000  - symbol: Ge # 36    coordinates: [  0.099719330000000,  0.848314220000000,  0.381130670000000 ]    mass: 72.640000  - symbol: Y  # 37    coordinates: [  0.125610810000000,  0.646560770000000,  0.864593730000000 ]    mass: 88.905850  - symbol: Y  # 38    coordinates: [  0.874389190000000,  0.353439230000000,  0.364593730000000 ]    mass: 88.905850  - symbol: Y  # 39    coordinates: [  0.646560770000000,  0.125610810000000,  0.135406270000000 ]    mass: 88.905850  - symbol: Y  # 40    coordinates: [  0.146560770000000,  0.374389190000000,  0.114593730000000 ]    mass: 88.905850  - symbol: Y  # 41    coordinates: [  0.853439230000000,  0.625610810000000,  0.614593730000000 ]    mass: 88.905850  - symbol: Y  # 42    coordinates: [  0.374389190000000,  0.146560770000000,  0.885406270000000 ]    mass: 88.905850  - symbol: Y  # 43    coordinates: [  0.625610810000000,  0.853439230000000,  0.385406270000000 ]    mass: 88.905850  - symbol: Y  # 44    coordinates: [  0.353439230000000,  0.874389190000000,  0.635406270000000 ]    mass: 88.905850  reciprocal_lattice: # without 2pi  - [     0.147142711320226,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.147142711320226,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.080861462899512 ] # c*unit_cell:  lattice:  - [     6.796123240000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.796123240000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.366830430000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.143730240000000,  0.682248730000000,  0.044454210000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.856269760000000,  0.317751270000000,  0.544454210000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.682248730000000,  0.143730240000000,  0.955545790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.182248730000000,  0.356269760000000,  0.294454210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.817751270000000,  0.643730240000000,  0.794454210000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.356269760000000,  0.182248730000000,  0.705545790000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.643730240000000,  0.817751270000000,  0.205545790000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.317751270000000,  0.856269760000000,  0.455545790000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.338053740000000,  0.065121890000000,  0.071180040000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.661946260000000,  0.934878110000000,  0.571180040000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.065121890000000,  0.338053740000000,  0.928819960000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.565121890000000,  0.161946260000000,  0.321180040000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.434878110000000,  0.838053740000000,  0.821180040000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.161946260000000,  0.565121890000000,  0.678819960000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.838053740000000,  0.434878110000000,  0.178819960000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.934878110000000,  0.661946260000000,  0.428819960000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.197095080000000,  0.802904920000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.697095080000000,  0.697095080000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.302904920000000,  0.302904920000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.802904920000000,  0.197095080000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.921536680000000,  0.032949430000000,  0.377572900000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.467050570000000,  0.421536680000000,  0.127572900000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.532949430000000,  0.578463320000000,  0.627572900000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.421536680000000,  0.467050570000000,  0.872427100000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.578463320000000,  0.532949430000000,  0.372427100000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.078463320000000,  0.967050570000000,  0.877572900000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.032949430000000,  0.921536680000000,  0.622427100000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.967050570000000,  0.078463320000000,  0.122427100000000 ]    mass: 15.999400    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.151685780000000,  0.900280670000000,  0.118869330000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.848314220000000,  0.099719330000000,  0.618869330000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.900280670000000,  0.151685780000000,  0.881130670000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.400280670000000,  0.348314220000000,  0.368869330000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.599719330000000,  0.651685780000000,  0.868869330000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.348314220000000,  0.400280670000000,  0.631130670000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.651685780000000,  0.599719330000000,  0.131130670000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.099719330000000,  0.848314220000000,  0.381130670000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Y  # 37    coordinates: [  0.125610810000000,  0.646560770000000,  0.864593730000000 ]    mass: 88.905850    reduced_to: 37  - symbol: Y  # 38    coordinates: [  0.874389190000000,  0.353439230000000,  0.364593730000000 ]    mass: 88.905850    reduced_to: 38  - symbol: Y  # 39    coordinates: [  0.646560770000000,  0.125610810000000,  0.135406270000000 ]    mass: 88.905850    reduced_to: 39  - symbol: Y  # 40    coordinates: [  0.146560770000000,  0.374389190000000,  0.114593730000000 ]    mass: 88.905850    reduced_to: 40  - symbol: Y  # 41    coordinates: [  0.853439230000000,  0.625610810000000,  0.614593730000000 ]    mass: 88.905850    reduced_to: 41  - symbol: Y  # 42    coordinates: [  0.374389190000000,  0.146560770000000,  0.885406270000000 ]    mass: 88.905850    reduced_to: 42  - symbol: Y  # 43    coordinates: [  0.625610810000000,  0.853439230000000,  0.385406270000000 ]    mass: 88.905850    reduced_to: 43  - symbol: Y  # 44    coordinates: [  0.353439230000000,  0.874389190000000,  0.635406270000000 ]    mass: 88.905850    reduced_to: 44supercell:  lattice:  - [     6.796123240000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.796123240000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.366830430000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.143730240000000,  0.682248730000000,  0.044454210000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.856269760000000,  0.317751270000000,  0.544454210000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.682248730000000,  0.143730240000000,  0.955545790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.182248730000000,  0.356269760000000,  0.294454210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.817751270000000,  0.643730240000000,  0.794454210000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.356269760000000,  0.182248730000000,  0.705545790000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.643730240000000,  0.817751270000000,  0.205545790000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.317751270000000,  0.856269760000000,  0.455545790000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.338053740000000,  0.065121890000000,  0.071180040000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.661946260000000,  0.934878110000000,  0.571180040000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.065121890000000,  0.338053740000000,  0.928819960000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.565121890000000,  0.161946260000000,  0.321180040000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.434878110000000,  0.838053740000000,  0.821180040000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.161946260000000,  0.565121890000000,  0.678819960000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.838053740000000,  0.434878110000000,  0.178819960000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.934878110000000,  0.661946260000000,  0.428819960000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.197095080000000,  0.802904920000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.697095080000000,  0.697095080000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.302904920000000,  0.302904920000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.802904920000000,  0.197095080000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.921536680000000,  0.032949430000000,  0.377572900000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.467050570000000,  0.421536680000000,  0.127572900000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.532949430000000,  0.578463320000000,  0.627572900000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.421536680000000,  0.467050570000000,  0.872427100000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.578463320000000,  0.532949430000000,  0.372427100000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.078463320000000,  0.967050570000000,  0.877572900000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.032949430000000,  0.921536680000000,  0.622427100000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.967050570000000,  0.078463320000000,  0.122427100000000 ]    mass: 15.999400    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.151685780000000,  0.900280670000000,  0.118869330000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.848314220000000,  0.099719330000000,  0.618869330000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.900280670000000,  0.151685780000000,  0.881130670000000 ]    mass: 72.640000    reduced_to: 31  - symbol: Ge # 32    coordinates: [  0.400280670000000,  0.348314220000000,  0.368869330000000 ]    mass: 72.640000    reduced_to: 32  - symbol: Ge # 33    coordinates: [  0.599719330000000,  0.651685780000000,  0.868869330000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.348314220000000,  0.400280670000000,  0.631130670000000 ]    mass: 72.640000    reduced_to: 34  - symbol: Ge # 35    coordinates: [  0.651685780000000,  0.599719330000000,  0.131130670000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.099719330000000,  0.848314220000000,  0.381130670000000 ]    mass: 72.640000    reduced_to: 36  - symbol: Y  # 37    coordinates: [  0.125610810000000,  0.646560770000000,  0.864593730000000 ]    mass: 88.905850    reduced_to: 37  - symbol: Y  # 38    coordinates: [  0.874389190000000,  0.353439230000000,  0.364593730000000 ]    mass: 88.905850    reduced_to: 38  - symbol: Y  # 39    coordinates: [  0.646560770000000,  0.125610810000000,  0.135406270000000 ]    mass: 88.905850    reduced_to: 39  - symbol: Y  # 40    coordinates: [  0.146560770000000,  0.374389190000000,  0.114593730000000 ]    mass: 88.905850    reduced_to: 40  - symbol: Y  # 41    coordinates: [  0.853439230000000,  0.625610810000000,  0.614593730000000 ]    mass: 88.905850    reduced_to: 41  - symbol: Y  # 42    coordinates: [  0.374389190000000,  0.146560770000000,  0.885406270000000 ]    mass: 88.905850    reduced_to: 42  - 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