# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/19b7d35a-42d2-427c-97b2-6f153852285e/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 Ag2SeO4 / Fddd (70) / materials id 11641](https://mdr.nims.go.jp/datasets/d8f0765f-f11a-4af9-9e56-f98452b46fa5)

## 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: "Fddd"  number: 70  Hall_symbol: "F 2 2 -1d"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     5.617545760000000,     6.291492540000000 ] # a  - [     2.864294700000000,     0.000000000000000,     6.291492540000000 ] # b  - [     2.864294700000000,     5.617545760000000,     0.000000000000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.323688980000000,  0.829803560000000,  0.496607160000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.349900300000000,  0.496607160000000,  0.829803560000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.496607160000000,  0.349900300000000,  0.323688980000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.829803560000000,  0.323688980000000,  0.349900300000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.926311020000000,  0.420196440000000,  0.753392840000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.900099700000000,  0.753392840000000,  0.420196440000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.420196440000000,  0.926311020000000,  0.900099700000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.753392840000000,  0.900099700000000,  0.926311020000000 ]    mass: 15.999400  - symbol: Se # 9    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 78.960000  - symbol: Se # 10    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 78.960000  - symbol: Ag # 11    coordinates: [  0.797127770000000,  0.202872230000000,  0.797127770000000 ]    mass: 107.868200  - symbol: Ag # 12    coordinates: [  0.202872230000000,  0.797127770000000,  0.202872230000000 ]    mass: 107.868200  - symbol: Ag # 13    coordinates: [  0.452872230000000,  0.047127770000000,  0.452872230000000 ]    mass: 107.868200  - symbol: Ag # 14    coordinates: [  0.047127770000000,  0.452872230000000,  0.047127770000000 ]    mass: 107.868200  reciprocal_lattice: # without 2pi  - [    -0.174563043390752,     0.089006840595812,     0.079472398134640 ] # a*  - [     0.174563043390752,    -0.089006840595812,     0.079472398134640 ] # b*  - [     0.174563043390752,     0.089006840595812,    -0.079472398134640 ] # c*unit_cell:  lattice:  - [     5.728589400000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.235091519999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.582985080000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.663205360000000,  0.910148070000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.663205360000000,  0.089851930000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.336794640000000,  0.910148070000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.336794640000000,  0.089851930000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.586794640000000,  0.839851930000000,  0.673253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.586794640000000,  0.660148070000000,  0.826746270000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.913205360000000,  0.660148070000000,  0.673253730000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.913205360000000,  0.839851930000000,  0.826746270000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.663205360000000,  0.410148070000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.663205360000000,  0.589851930000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 11    coordinates: [  0.336794640000000,  0.410148070000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 12    coordinates: [  0.336794640000000,  0.589851930000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 13    coordinates: [  0.586794640000000,  0.339851930000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 14    coordinates: [  0.586794640000000,  0.160148070000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 15    coordinates: [  0.913205360000000,  0.160148070000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 16    coordinates: [  0.913205360000000,  0.339851930000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 17    coordinates: [  0.163205360000000,  0.910148070000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.163205360000000,  0.089851930000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 19    coordinates: [  0.836794640000000,  0.910148070000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 20    coordinates: [  0.836794640000000,  0.089851930000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 21    coordinates: [  0.086794640000000,  0.839851930000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 22    coordinates: [  0.086794640000000,  0.660148070000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 23    coordinates: [  0.413205360000000,  0.660148070000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 24    coordinates: [  0.413205360000000,  0.839851930000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 25    coordinates: [  0.163205360000000,  0.410148070000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.163205360000000,  0.589851930000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.836794640000000,  0.410148070000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.836794640000000,  0.589851930000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.086794640000000,  0.339851930000000,  0.673253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.086794640000000,  0.160148070000000,  0.826746270000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.413205360000000,  0.160148070000000,  0.673253730000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.413205360000000,  0.339851930000000,  0.826746270000000 ]    mass: 15.999400    reduced_to: 8  - symbol: Se # 33    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 34    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 34  - symbol: Se # 35    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 36    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 34  - symbol: Se # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 38    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 78.960000    reduced_to: 34  - symbol: Se # 39    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 40    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 78.960000    reduced_to: 34  - symbol: Ag # 41    coordinates: [  0.000000000000000,  0.797127770000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 41  - symbol: Ag # 42    coordinates: [  0.500000000000000,  0.702872230000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 42  - symbol: Ag # 43    coordinates: [  0.250000000000000,  0.952872230000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 43  - symbol: Ag # 44    coordinates: [  0.750000000000000,  0.047127770000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 44  - symbol: Ag # 45    coordinates: [  0.000000000000000,  0.297127770000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 41  - symbol: Ag # 46    coordinates: [  0.500000000000000,  0.202872230000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 42  - symbol: Ag # 47    coordinates: [  0.250000000000000,  0.452872230000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 43  - symbol: Ag # 48    coordinates: [  0.750000000000000,  0.547127770000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 44  - symbol: Ag # 49    coordinates: [  0.500000000000000,  0.797127770000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 41  - symbol: Ag # 50    coordinates: [  0.000000000000000,  0.702872230000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 42  - symbol: Ag # 51    coordinates: [  0.750000000000000,  0.952872230000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 43  - symbol: Ag # 52    coordinates: [  0.250000000000000,  0.047127770000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 44  - symbol: Ag # 53    coordinates: [  0.500000000000000,  0.297127770000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 41  - symbol: Ag # 54    coordinates: [  0.000000000000000,  0.202872230000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 42  - symbol: Ag # 55    coordinates: [  0.750000000000000,  0.452872230000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 43  - symbol: Ag # 56    coordinates: [  0.250000000000000,  0.547127770000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 44supercell:  lattice:  - [    11.457178799999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.235091519999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.582985080000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.331602680000000,  0.910148070000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.831602680000000,  0.910148070000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.331602680000000,  0.089851930000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.831602680000000,  0.089851930000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 5    coordinates: [  0.168397320000000,  0.910148070000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.668397320000000,  0.910148070000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.168397320000000,  0.089851930000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.668397320000000,  0.089851930000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 9    coordinates: [  0.293397320000000,  0.839851930000000,  0.673253730000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.793397320000000,  0.839851930000000,  0.673253730000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.293397320000000,  0.660148070000000,  0.826746270000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.793397320000000,  0.660148070000000,  0.826746270000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 13    coordinates: [  0.456602680000000,  0.660148070000000,  0.673253730000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.956602680000000,  0.660148070000000,  0.673253730000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.456602680000000,  0.839851930000000,  0.826746270000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.956602680000000,  0.839851930000000,  0.826746270000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 17    coordinates: [  0.331602680000000,  0.410148070000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.831602680000000,  0.410148070000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.331602680000000,  0.589851930000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 20    coordinates: [  0.831602680000000,  0.589851930000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 21    coordinates: [  0.168397320000000,  0.410148070000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 22    coordinates: [  0.668397320000000,  0.410148070000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 23    coordinates: [  0.168397320000000,  0.589851930000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 24    coordinates: [  0.668397320000000,  0.589851930000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 25    coordinates: [  0.293397320000000,  0.339851930000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 26    coordinates: [  0.793397320000000,  0.339851930000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 27    coordinates: [  0.293397320000000,  0.160148070000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 28    coordinates: [  0.793397320000000,  0.160148070000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 29    coordinates: [  0.456602680000000,  0.160148070000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 30    coordinates: [  0.956602680000000,  0.160148070000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 31    coordinates: [  0.456602680000000,  0.339851930000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 32    coordinates: [  0.956602680000000,  0.339851930000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 33    coordinates: [  0.081602680000000,  0.910148070000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 34    coordinates: [  0.581602680000000,  0.910148070000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 35    coordinates: [  0.081602680000000,  0.089851930000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 36    coordinates: [  0.581602680000000,  0.089851930000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 37    coordinates: [  0.418397320000000,  0.910148070000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 38    coordinates: [  0.918397320000000,  0.910148070000000,  0.423253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 39    coordinates: [  0.418397320000000,  0.089851930000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 40    coordinates: [  0.918397320000000,  0.089851930000000,  0.576746270000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 41    coordinates: [  0.043397320000000,  0.839851930000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 42    coordinates: [  0.543397320000000,  0.839851930000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 43    coordinates: [  0.043397320000000,  0.660148070000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 44    coordinates: [  0.543397320000000,  0.660148070000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 45    coordinates: [  0.206602680000000,  0.660148070000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 46    coordinates: [  0.706602680000000,  0.660148070000000,  0.173253730000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 47    coordinates: [  0.206602680000000,  0.839851930000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 48    coordinates: [  0.706602680000000,  0.839851930000000,  0.326746270000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 49    coordinates: [  0.081602680000000,  0.410148070000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 50    coordinates: [  0.581602680000000,  0.410148070000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 51    coordinates: [  0.081602680000000,  0.589851930000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 52    coordinates: [  0.581602680000000,  0.589851930000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 53    coordinates: [  0.418397320000000,  0.410148070000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 54    coordinates: [  0.918397320000000,  0.410148070000000,  0.923253730000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 55    coordinates: [  0.418397320000000,  0.589851930000000,  0.076746270000000 ]    mass: 15.999400    reduced_to: 7  - 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