# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2d3735d9-4090-44f5-8248-ef962d74da33/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 K2VAgS4 / Fddd (70) / materials id 8900](https://mdr.nims.go.jp/datasets/6b960a7b-332e-460d-b64b-de94d83f531f)

## 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,     6.421609385000000,    11.052916280000000 ] # a  - [     2.843881435000000,     0.000000000000000,    11.052916280000000 ] # b  - [     2.843881435000000,     6.421609385000000,     0.000000000000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.749342990000000,  0.366183550000000,  0.047894970000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.047894970000000,  0.836578490000000,  0.749342990000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.836578490000000,  0.047894970000000,  0.366183550000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.366183550000000,  0.749342990000000,  0.836578490000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.500657010000000,  0.883816450000000,  0.202105030000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.413421510000000,  0.202105030000000,  0.883816450000000 ]    mass: 32.065000  - symbol: S  # 7    coordinates: [  0.202105030000000,  0.413421510000000,  0.500657010000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.883816450000000,  0.500657010000000,  0.413421510000000 ]    mass: 32.065000  - symbol: K  # 9    coordinates: [  0.068773970000000,  0.068773970000000,  0.431226030000000 ]    mass: 39.098300  - symbol: K  # 10    coordinates: [  0.181226030000000,  0.181226030000000,  0.818773970000000 ]    mass: 39.098300  - symbol: K  # 11    coordinates: [  0.431226030000000,  0.431226030000000,  0.068773970000000 ]    mass: 39.098300  - symbol: K  # 12    coordinates: [  0.818773970000000,  0.818773970000000,  0.181226030000000 ]    mass: 39.098300  - symbol: V  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 50.941500  - symbol: V  # 14    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 50.941500  - symbol: Ag # 15    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200  - symbol: Ag # 16    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 107.868200  reciprocal_lattice: # without 2pi  - [    -0.175816049799559,     0.077862101230874,     0.045236929995094 ] # a*  - [     0.175816049799559,    -0.077862101230874,     0.045236929995094 ] # b*  - [     0.175816049799559,     0.077862101230874,    -0.045236929995094 ] # c*unit_cell:  lattice:  - [     5.687762870000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.843218770000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    22.105832560000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.207039260000000,  0.898618980000000,  0.057763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.792960740000000,  0.898618980000000,  0.942236730000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.207039260000000,  0.101381020000000,  0.942236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.792960740000000,  0.101381020000000,  0.057763270000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.042960740000000,  0.851381020000000,  0.692236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.042960740000000,  0.648618980000000,  0.807763270000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.457039260000000,  0.851381020000000,  0.807763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.457039260000000,  0.648618980000000,  0.692236730000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.207039260000000,  0.398618980000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 10    coordinates: [  0.792960740000000,  0.398618980000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 11    coordinates: [  0.207039260000000,  0.601381020000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 12    coordinates: [  0.792960740000000,  0.601381020000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 13    coordinates: [  0.042960740000000,  0.351381020000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 14    coordinates: [  0.042960740000000,  0.148618980000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 15    coordinates: [  0.457039260000000,  0.351381020000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 16    coordinates: [  0.457039260000000,  0.148618980000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 17    coordinates: [  0.707039260000000,  0.898618980000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 18    coordinates: [  0.292960740000000,  0.898618980000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 19    coordinates: [  0.707039260000000,  0.101381020000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 20    coordinates: [  0.292960740000000,  0.101381020000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 21    coordinates: [  0.542960740000000,  0.851381020000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 22    coordinates: [  0.542960740000000,  0.648618980000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 23    coordinates: [  0.957039260000000,  0.851381020000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 24    coordinates: [  0.957039260000000,  0.648618980000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 25    coordinates: [  0.707039260000000,  0.398618980000000,  0.057763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 26    coordinates: [  0.292960740000000,  0.398618980000000,  0.942236730000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 27    coordinates: [  0.707039260000000,  0.601381020000000,  0.942236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 28    coordinates: [  0.292960740000000,  0.601381020000000,  0.057763270000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 29    coordinates: [  0.542960740000000,  0.351381020000000,  0.692236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 30    coordinates: [  0.542960740000000,  0.148618980000000,  0.807763270000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 31    coordinates: [  0.957039260000000,  0.351381020000000,  0.807763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 32    coordinates: [  0.957039260000000,  0.148618980000000,  0.692236730000000 ]    mass: 32.065000    reduced_to: 8  - symbol: K  # 33    coordinates: [  0.750000000000000,  0.750000000000000,  0.068773970000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.500000000000000,  0.000000000000000,  0.681226030000000 ]    mass: 39.098300    reduced_to: 34  - symbol: K  # 35    coordinates: [  0.250000000000000,  0.750000000000000,  0.931226030000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 36    coordinates: [  0.000000000000000,  0.000000000000000,  0.818773970000000 ]    mass: 39.098300    reduced_to: 36  - symbol: K  # 37    coordinates: [  0.750000000000000,  0.250000000000000,  0.568773970000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 38    coordinates: [  0.500000000000000,  0.500000000000000,  0.181226030000000 ]    mass: 39.098300    reduced_to: 34  - symbol: K  # 39    coordinates: [  0.250000000000000,  0.250000000000000,  0.431226030000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 40    coordinates: [  0.000000000000000,  0.500000000000000,  0.318773970000000 ]    mass: 39.098300    reduced_to: 36  - symbol: K  # 41    coordinates: [  0.250000000000000,  0.750000000000000,  0.568773970000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 42    coordinates: [  0.000000000000000,  0.000000000000000,  0.181226030000000 ]    mass: 39.098300    reduced_to: 34  - symbol: K  # 43    coordinates: [  0.750000000000000,  0.750000000000000,  0.431226030000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 44    coordinates: [  0.500000000000000,  0.000000000000000,  0.318773970000000 ]    mass: 39.098300    reduced_to: 36  - symbol: K  # 45    coordinates: [  0.250000000000000,  0.250000000000000,  0.068773970000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 46    coordinates: [  0.000000000000000,  0.500000000000000,  0.681226030000000 ]    mass: 39.098300    reduced_to: 34  - symbol: K  # 47    coordinates: [  0.750000000000000,  0.250000000000000,  0.931226030000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.818773970000000 ]    mass: 39.098300    reduced_to: 36  - symbol: V  # 49    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 50.941500    reduced_to: 49  - symbol: V  # 50    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 50.941500    reduced_to: 50  - symbol: V  # 51    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 50.941500    reduced_to: 49  - symbol: V  # 52    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 50.941500    reduced_to: 50  - symbol: V  # 53    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 50.941500    reduced_to: 49  - symbol: V  # 54    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 50.941500    reduced_to: 50  - symbol: V  # 55    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 50.941500    reduced_to: 49  - symbol: V  # 56    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 50.941500    reduced_to: 50  - symbol: Ag # 57    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 57  - symbol: Ag # 58    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 58  - symbol: Ag # 59    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 57  - symbol: Ag # 60    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 58  - symbol: Ag # 61    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 107.868200    reduced_to: 57  - symbol: Ag # 62    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 58  - symbol: Ag # 63    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 107.868200    reduced_to: 57  - symbol: Ag # 64    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 58supercell:  lattice:  - [    11.375525740000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.843218770000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    22.105832560000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.103519630000000,  0.898618980000000,  0.057763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.603519630000000,  0.898618980000000,  0.057763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.396480370000000,  0.898618980000000,  0.942236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.896480370000000,  0.898618980000000,  0.942236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 5    coordinates: [  0.103519630000000,  0.101381020000000,  0.942236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.603519630000000,  0.101381020000000,  0.942236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 7    coordinates: [  0.396480370000000,  0.101381020000000,  0.057763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.896480370000000,  0.101381020000000,  0.057763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 9    coordinates: [  0.021480370000000,  0.851381020000000,  0.692236730000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.521480370000000,  0.851381020000000,  0.692236730000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 11    coordinates: [  0.021480370000000,  0.648618980000000,  0.807763270000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.521480370000000,  0.648618980000000,  0.807763270000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 13    coordinates: [  0.228519630000000,  0.851381020000000,  0.807763270000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.728519630000000,  0.851381020000000,  0.807763270000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 15    coordinates: [  0.228519630000000,  0.648618980000000,  0.692236730000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 16    coordinates: [  0.728519630000000,  0.648618980000000,  0.692236730000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 17    coordinates: [  0.103519630000000,  0.398618980000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 18    coordinates: [  0.603519630000000,  0.398618980000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 19    coordinates: [  0.396480370000000,  0.398618980000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 20    coordinates: [  0.896480370000000,  0.398618980000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 21    coordinates: [  0.103519630000000,  0.601381020000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 22    coordinates: [  0.603519630000000,  0.601381020000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 23    coordinates: [  0.396480370000000,  0.601381020000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 24    coordinates: [  0.896480370000000,  0.601381020000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 25    coordinates: [  0.021480370000000,  0.351381020000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 26    coordinates: [  0.521480370000000,  0.351381020000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 27    coordinates: [  0.021480370000000,  0.148618980000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 28    coordinates: [  0.521480370000000,  0.148618980000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 29    coordinates: [  0.228519630000000,  0.351381020000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 30    coordinates: [  0.728519630000000,  0.351381020000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 31    coordinates: [  0.228519630000000,  0.148618980000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 32    coordinates: [  0.728519630000000,  0.148618980000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 33    coordinates: [  0.353519630000000,  0.898618980000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 34    coordinates: [  0.853519630000000,  0.898618980000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 35    coordinates: [  0.146480370000000,  0.898618980000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 36    coordinates: [  0.646480370000000,  0.898618980000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 37    coordinates: [  0.353519630000000,  0.101381020000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 38    coordinates: [  0.853519630000000,  0.101381020000000,  0.442236730000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 39    coordinates: [  0.146480370000000,  0.101381020000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 40    coordinates: [  0.646480370000000,  0.101381020000000,  0.557763270000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 41    coordinates: [  0.271480370000000,  0.851381020000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 42    coordinates: [  0.771480370000000,  0.851381020000000,  0.192236730000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 43    coordinates: [  0.271480370000000,  0.648618980000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 44    coordinates: [  0.771480370000000,  0.648618980000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 45    coordinates: [  0.478519630000000,  0.851381020000000,  0.307763270000000 ]    mass: 32.065000    reduced_to: 13  - 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