# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6386acd7-4959-4ed5-81f3-df8324ac9bd0/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 Ho2Ge2O7 / P4_12_12 (92) / materials id 560082](https://mdr.nims.go.jp/datasets/0bcd6020-5f68-426e-a101-0d7926952dae)

## 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_12_12"  number: 92  Hall_symbol: "P 4abw 2nw"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.767696050000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.767696050000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.318682740000000 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.854270670000000,  0.626920360000000,  0.885702930000000 ]    mass: 164.930320  - symbol: Ho # 2    coordinates: [  0.354270670000000,  0.873079640000000,  0.864297070000000 ]    mass: 164.930320  - symbol: Ho # 3    coordinates: [  0.373079640000000,  0.145729330000000,  0.614297070000000 ]    mass: 164.930320  - symbol: Ho # 4    coordinates: [  0.645729330000000,  0.126920360000000,  0.364297070000000 ]    mass: 164.930320  - symbol: Ho # 5    coordinates: [  0.145729330000000,  0.373079640000000,  0.385702930000000 ]    mass: 164.930320  - symbol: Ho # 6    coordinates: [  0.126920360000000,  0.645729330000000,  0.635702930000000 ]    mass: 164.930320  - symbol: Ho # 7    coordinates: [  0.626920360000000,  0.854270670000000,  0.114297070000000 ]    mass: 164.930320  - symbol: Ho # 8    coordinates: [  0.873079640000000,  0.354270670000000,  0.135702930000000 ]    mass: 164.930320  - symbol: Ge # 9    coordinates: [  0.399616910000000,  0.349079150000000,  0.131653220000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.650920850000000,  0.600383090000000,  0.368346780000000 ]    mass: 72.640000  - symbol: Ge # 11    coordinates: [  0.600383090000000,  0.650920850000000,  0.631653220000000 ]    mass: 72.640000  - symbol: Ge # 12    coordinates: [  0.100383090000000,  0.849079150000000,  0.118346780000000 ]    mass: 72.640000  - symbol: Ge # 13    coordinates: [  0.849079150000000,  0.100383090000000,  0.881653220000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.150920850000000,  0.899616910000000,  0.381653220000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.899616910000000,  0.150920850000000,  0.618346780000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.349079150000000,  0.399616910000000,  0.868346780000000 ]    mass: 72.640000  - symbol: O  # 17    coordinates: [  0.356200840000000,  0.180205760000000,  0.794091210000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.078622190000000,  0.965681000000000,  0.621619500000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.680205760000000,  0.143799160000000,  0.544091210000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.662262510000000,  0.933843540000000,  0.928922050000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.337737490000000,  0.066156460000000,  0.428922050000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.433843540000000,  0.837737490000000,  0.678922050000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.534319000000000,  0.578622190000000,  0.871619500000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.421377810000000,  0.465681000000000,  0.628380500000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.197151510000000,  0.802848490000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.578622190000000,  0.534319000000000,  0.128380500000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.302848490000000,  0.302848490000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.921377810000000,  0.034319000000000,  0.121619500000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.143799160000000,  0.680205760000000,  0.455908790000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.933843540000000,  0.662262510000000,  0.071077950000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.856200840000000,  0.319794240000000,  0.955908790000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.034319000000000,  0.921377810000000,  0.878380500000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.162262510000000,  0.566156460000000,  0.821077950000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.319794240000000,  0.856200840000000,  0.044091210000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.643799160000000,  0.819794240000000,  0.294091210000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.180205760000000,  0.356200840000000,  0.205908790000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.566156460000000,  0.162262510000000,  0.178922050000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.819794240000000,  0.643799160000000,  0.705908790000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.965681000000000,  0.078622190000000,  0.378380500000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.066156460000000,  0.337737490000000,  0.571077950000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.697151510000000,  0.697151510000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.837737490000000,  0.433843540000000,  0.321077950000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.802848490000000,  0.197151510000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.465681000000000,  0.421377810000000,  0.371619500000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.147760773032944,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.147760773032944,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.081177510705175 ] # c*unit_cell:  lattice:  - [     6.767696050000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.767696050000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.318682740000000 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.854270670000000,  0.626920360000000,  0.885702930000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 2    coordinates: [  0.354270670000000,  0.873079640000000,  0.864297070000000 ]    mass: 164.930320    reduced_to: 2  - symbol: Ho # 3    coordinates: [  0.373079640000000,  0.145729330000000,  0.614297070000000 ]    mass: 164.930320    reduced_to: 3  - symbol: Ho # 4    coordinates: [  0.645729330000000,  0.126920360000000,  0.364297070000000 ]    mass: 164.930320    reduced_to: 4  - symbol: Ho # 5    coordinates: [  0.145729330000000,  0.373079640000000,  0.385702930000000 ]    mass: 164.930320    reduced_to: 5  - symbol: Ho # 6    coordinates: [  0.126920360000000,  0.645729330000000,  0.635702930000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Ho # 7    coordinates: [  0.626920360000000,  0.854270670000000,  0.114297070000000 ]    mass: 164.930320    reduced_to: 7  - symbol: Ho # 8    coordinates: [  0.873079640000000,  0.354270670000000,  0.135702930000000 ]    mass: 164.930320    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.399616910000000,  0.349079150000000,  0.131653220000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.650920850000000,  0.600383090000000,  0.368346780000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.600383090000000,  0.650920850000000,  0.631653220000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.100383090000000,  0.849079150000000,  0.118346780000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.849079150000000,  0.100383090000000,  0.881653220000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.150920850000000,  0.899616910000000,  0.381653220000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.899616910000000,  0.150920850000000,  0.618346780000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.349079150000000,  0.399616910000000,  0.868346780000000 ]    mass: 72.640000    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.356200840000000,  0.180205760000000,  0.794091210000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.078622190000000,  0.965681000000000,  0.621619500000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.680205760000000,  0.143799160000000,  0.544091210000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.662262510000000,  0.933843540000000,  0.928922050000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.337737490000000,  0.066156460000000,  0.428922050000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.433843540000000,  0.837737490000000,  0.678922050000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.534319000000000,  0.578622190000000,  0.871619500000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.421377810000000,  0.465681000000000,  0.628380500000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.197151510000000,  0.802848490000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.578622190000000,  0.534319000000000,  0.128380500000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.302848490000000,  0.302848490000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.921377810000000,  0.034319000000000,  0.121619500000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.143799160000000,  0.680205760000000,  0.455908790000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.933843540000000,  0.662262510000000,  0.071077950000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.856200840000000,  0.319794240000000,  0.955908790000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.034319000000000,  0.921377810000000,  0.878380500000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.162262510000000,  0.566156460000000,  0.821077950000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.319794240000000,  0.856200840000000,  0.044091210000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.643799160000000,  0.819794240000000,  0.294091210000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.180205760000000,  0.356200840000000,  0.205908790000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.566156460000000,  0.162262510000000,  0.178922050000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.819794240000000,  0.643799160000000,  0.705908790000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.965681000000000,  0.078622190000000,  0.378380500000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.066156460000000,  0.337737490000000,  0.571077950000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.697151510000000,  0.697151510000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.837737490000000,  0.433843540000000,  0.321077950000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.802848490000000,  0.197151510000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.465681000000000,  0.421377810000000,  0.371619500000000 ]    mass: 15.999400    reduced_to: 44supercell:  lattice:  - [     6.767696050000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.767696050000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.318682740000000 ] # c  points:  - symbol: Ho # 1    coordinates: [  0.854270670000000,  0.626920360000000,  0.885702930000000 ]    mass: 164.930320    reduced_to: 1  - symbol: Ho # 2    coordinates: [  0.354270670000000,  0.873079640000000,  0.864297070000000 ]    mass: 164.930320    reduced_to: 2  - symbol: Ho # 3    coordinates: [  0.373079640000000,  0.145729330000000,  0.614297070000000 ]    mass: 164.930320    reduced_to: 3  - symbol: Ho # 4    coordinates: [  0.645729330000000,  0.126920360000000,  0.364297070000000 ]    mass: 164.930320    reduced_to: 4  - symbol: Ho # 5    coordinates: [  0.145729330000000,  0.373079640000000,  0.385702930000000 ]    mass: 164.930320    reduced_to: 5  - symbol: Ho # 6    coordinates: [  0.126920360000000,  0.645729330000000,  0.635702930000000 ]    mass: 164.930320    reduced_to: 6  - symbol: Ho # 7    coordinates: [  0.626920360000000,  0.854270670000000,  0.114297070000000 ]    mass: 164.930320    reduced_to: 7  - symbol: Ho # 8    coordinates: [  0.873079640000000,  0.354270670000000,  0.135702930000000 ]    mass: 164.930320    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.399616910000000,  0.349079150000000,  0.131653220000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.650920850000000,  0.600383090000000,  0.368346780000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.600383090000000,  0.650920850000000,  0.631653220000000 ]    mass: 72.640000    reduced_to: 11  - symbol: Ge # 12    coordinates: [  0.100383090000000,  0.849079150000000,  0.118346780000000 ]    mass: 72.640000    reduced_to: 12  - symbol: Ge # 13    coordinates: [  0.849079150000000,  0.100383090000000,  0.881653220000000 ]    mass: 72.640000    reduced_to: 13  - symbol: Ge # 14    coordinates: [  0.150920850000000,  0.899616910000000,  0.381653220000000 ]    mass: 72.640000    reduced_to: 14  - symbol: Ge # 15    coordinates: [  0.899616910000000,  0.150920850000000,  0.618346780000000 ]    mass: 72.640000    reduced_to: 15  - symbol: Ge # 16    coordinates: [  0.349079150000000,  0.399616910000000,  0.868346780000000 ]    mass: 72.640000    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.356200840000000,  0.180205760000000,  0.794091210000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.078622190000000,  0.965681000000000,  0.621619500000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.680205760000000,  0.143799160000000,  0.544091210000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.662262510000000,  0.933843540000000,  0.928922050000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.337737490000000,  0.066156460000000,  0.428922050000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.433843540000000,  0.837737490000000,  0.678922050000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.534319000000000,  0.578622190000000,  0.871619500000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.421377810000000,  0.465681000000000,  0.628380500000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.197151510000000,  0.802848490000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.578622190000000,  0.534319000000000,  0.128380500000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.302848490000000,  0.302848490000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.921377810000000,  0.034319000000000,  0.121619500000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.143799160000000,  0.680205760000000,  0.455908790000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.933843540000000,  0.662262510000000,  0.071077950000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.856200840000000,  0.319794240000000,  0.955908790000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.034319000000000,  0.921377810000000,  0.878380500000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.162262510000000,  0.566156460000000,  0.821077950000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.319794240000000,  0.856200840000000,  0.044091210000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.643799160000000,  0.819794240000000,  0.294091210000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.180205760000000,  0.356200840000000,  0.205908790000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.566156460000000,  0.162262510000000,  0.178922050000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.819794240000000,  0.643799160000000,  0.705908790000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.965681000000000,  0.078622190000000,  0.378380500000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.066156460000000,  0.337737490000000,  0.571077950000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.697151510000000,  0.697151510000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.837737490000000,  0.433843540000000,  0.321077950000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.802848490000000,  0.197151510000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.465681000000000,  0.421377810000000,  0.371619500000000 ]    mass: 15.999400    reduced_to: 44displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1567070100000000, -0.0078849600000000,  0.0022143300000000 ]  - [   0.0346159000000000, -0.0030056400000000,  0.0000516500000000 ]  - [   0.0013406100000000, -0.0002276500000000,  0.0000508500000000 ]  - [  -0.0003475300000000,  0.0000711400000000, -0.0002743000000000 ]  - [   0.0004429800000000, -0.0002037700000000,  0.0001155400000000 ]  - [   0.0003695700000000,  0.0024606500000000, -0.0166001000000000 ]  - [  -0.0007014200000000, -0.0046201700000000, -0.0123244800000000 ]  - 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