# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/18c5bb43-841a-42dc-8f49-490a40a35ec9/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 In2Ag2GeS6 / Cc (9) / materials id 560386](https://mdr.nims.go.jp/datasets/d33544f8-b80c-4ee3-bb31-7212c72030de)

## 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: "Cc"  number: 9  Hall_symbol: "C -2yc"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.076041225000000,    -3.561920530000000,    -0.016847330000000 ] # a  - [     6.076041225000000,     3.561920530000000,    -0.016847330000000 ] # b  - [    -4.097521320000000,     0.000000000000000,    11.404932680000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.519467010000000,  0.317654030000000,  0.560744780000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.304082440000000,  0.168099260000000,  0.756961320000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.168099260000000,  0.304082440000000,  0.256961320000000 ]    mass: 114.818000  - symbol: In # 4    coordinates: [  0.317654030000000,  0.519467010000000,  0.060744780000000 ]    mass: 114.818000  - symbol: Ag # 5    coordinates: [  0.990436580000000,  0.799751880000000,  0.753272310000000 ]    mass: 107.868200  - symbol: Ag # 6    coordinates: [  0.379950120000000,  0.816898560000000,  0.413546840000000 ]    mass: 107.868200  - symbol: Ag # 7    coordinates: [  0.816898560000000,  0.379950120000000,  0.913546840000000 ]    mass: 107.868200  - symbol: Ag # 8    coordinates: [  0.799751880000000,  0.990436580000000,  0.253272310000000 ]    mass: 107.868200  - symbol: Ge # 9    coordinates: [  0.406535450000000,  0.932260490000000,  0.999710540000000 ]    mass: 72.640000  - symbol: Ge # 10    coordinates: [  0.932260490000000,  0.406535450000000,  0.499710540000000 ]    mass: 72.640000  - symbol: S  # 11    coordinates: [  0.056238460000000,  0.518634080000000,  0.870133190000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.120336410000000,  0.601033050000000,  0.549290090000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.653657330000000,  0.163048610000000,  0.743617740000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.359427980000000,  0.826115440000000,  0.807854960000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.634071630000000,  0.611001330000000,  0.581281840000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.611001330000000,  0.634071630000000,  0.081281840000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.601033050000000,  0.120336410000000,  0.049290090000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.826115440000000,  0.359427980000000,  0.307854960000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.163048610000000,  0.653657330000000,  0.243617740000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.518634080000000,  0.056238460000000,  0.370133190000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.095835670000000,  0.084464170000000,  0.556386410000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.084464170000000,  0.095835670000000,  0.056386410000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.082372480592739,    -0.140373710134403,     0.029594475029381 ] # a*  - [     0.082372480592739,     0.140373710134403,     0.029594475029381 ] # b*  - [     0.000243360728625,     0.000000000000000,     0.087768793017899 ] # c*unit_cell:  lattice:  - [    12.152082450000000,     0.000000000000000,    -0.033694660000000 ] # a  - [     0.000000000000000,     7.123841060000000,     0.000000000000000 ] # b  - [    -4.097521320000000,     0.000000000000000,    11.404932680000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.918560520000000,  0.399093510000000,  0.560744780000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.736090850000000,  0.432008410000000,  0.756961320000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.736090850000000,  0.567991590000000,  0.256961320000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.918560520000000,  0.600906490000000,  0.060744780000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.418560520000000,  0.899093510000000,  0.560744780000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 6    coordinates: [  0.236090850000000,  0.932008410000000,  0.756961320000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 7    coordinates: [  0.236090850000000,  0.067991590000000,  0.256961320000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 8    coordinates: [  0.418560520000000,  0.100906490000000,  0.060744780000000 ]    mass: 114.818000    reduced_to: 4  - symbol: Ag # 9    coordinates: [  0.395094230000000,  0.404657650000000,  0.753272310000000 ]    mass: 107.868200    reduced_to: 9  - symbol: Ag # 10    coordinates: [  0.098424340000000,  0.718474220000000,  0.413546840000000 ]    mass: 107.868200    reduced_to: 10  - symbol: Ag # 11    coordinates: [  0.098424340000000,  0.281525780000000,  0.913546840000000 ]    mass: 107.868200    reduced_to: 11  - symbol: Ag # 12    coordinates: [  0.395094230000000,  0.595342350000000,  0.253272310000000 ]    mass: 107.868200    reduced_to: 12  - symbol: Ag # 13    coordinates: [  0.895094230000000,  0.904657650000000,  0.753272310000000 ]    mass: 107.868200    reduced_to: 9  - symbol: Ag # 14    coordinates: [  0.598424340000000,  0.218474220000000,  0.413546840000000 ]    mass: 107.868200    reduced_to: 10  - symbol: Ag # 15    coordinates: [  0.598424340000000,  0.781525780000000,  0.913546840000000 ]    mass: 107.868200    reduced_to: 11  - symbol: Ag # 16    coordinates: [  0.895094230000000,  0.095342350000000,  0.253272310000000 ]    mass: 107.868200    reduced_to: 12  - symbol: Ge # 17    coordinates: [  0.169397970000000,  0.762862520000000,  0.999710540000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.169397970000000,  0.237137480000000,  0.499710540000000 ]    mass: 72.640000    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.669397970000000,  0.262862520000000,  0.999710540000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 20    coordinates: [  0.669397970000000,  0.737137480000000,  0.499710540000000 ]    mass: 72.640000    reduced_to: 18  - symbol: S  # 21    coordinates: [  0.787436270000000,  0.731197810000000,  0.870133190000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.860684730000000,  0.740348320000000,  0.549290090000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.908352970000000,  0.254695640000000,  0.743617740000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.092771710000000,  0.733343730000000,  0.807854960000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.122536480000000,  0.488464850000000,  0.581281840000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.122536480000000,  0.511535150000000,  0.081281840000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.860684730000000,  0.259651680000000,  0.049290090000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.092771710000000,  0.266656270000000,  0.307854960000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.908352970000000,  0.745304360000000,  0.243617740000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.787436270000000,  0.268802190000000,  0.370133190000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.590149920000000,  0.494314250000000,  0.556386410000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.590149920000000,  0.505685750000000,  0.056386410000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.287436270000000,  0.231197810000000,  0.870133190000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 34    coordinates: [  0.360684730000000,  0.240348320000000,  0.549290090000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 35    coordinates: [  0.408352970000000,  0.754695640000000,  0.743617740000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 36    coordinates: [  0.592771710000000,  0.233343730000000,  0.807854960000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 37    coordinates: [  0.622536480000000,  0.988464850000000,  0.581281840000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 38    coordinates: [  0.622536480000000,  0.011535150000000,  0.081281840000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 39    coordinates: [  0.360684730000000,  0.759651680000000,  0.049290090000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 40    coordinates: [  0.592771710000000,  0.766656270000000,  0.307854960000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 41    coordinates: [  0.408352970000000,  0.245304360000000,  0.243617740000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 42    coordinates: [  0.287436270000000,  0.768802190000000,  0.370133190000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 43    coordinates: [  0.090149920000000,  0.994314250000000,  0.556386410000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 44    coordinates: [  0.090149920000000,  0.005685750000000,  0.056386410000000 ]    mass: 32.065000    reduced_to: 32supercell:  lattice:  - [    12.152082450000000,     0.000000000000000,    -0.033694660000000 ] # a  - [     0.000000000000000,    14.247682120000000,     0.000000000000000 ] # b  - [    -4.097521320000000,     0.000000000000000,    11.404932680000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.918560520000000,  0.199546755000000,  0.560744780000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.918560520000000,  0.699546755000000,  0.560744780000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 3    coordinates: [  0.736090850000000,  0.216004205000000,  0.756961320000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.736090850000000,  0.716004205000000,  0.756961320000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 5    coordinates: [  0.736090850000000,  0.283995795000000,  0.256961320000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.736090850000000,  0.783995795000000,  0.256961320000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 7    coordinates: [  0.918560520000000,  0.300453245000000,  0.060744780000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.918560520000000,  0.800453245000000,  0.060744780000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 9    coordinates: [  0.418560520000000,  0.449546755000000,  0.560744780000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 10    coordinates: [  0.418560520000000,  0.949546755000000,  0.560744780000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 11    coordinates: [  0.236090850000000,  0.466004205000000,  0.756961320000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 12    coordinates: [  0.236090850000000,  0.966004205000000,  0.756961320000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 13    coordinates: [  0.236090850000000,  0.033995795000000,  0.256961320000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 14    coordinates: [  0.236090850000000,  0.533995795000000,  0.256961320000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 15    coordinates: [  0.418560520000000,  0.050453245000000,  0.060744780000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 16    coordinates: [  0.418560520000000,  0.550453245000000,  0.060744780000000 ]    mass: 114.818000    reduced_to: 7  - symbol: Ag # 17    coordinates: [  0.395094230000000,  0.202328825000000,  0.753272310000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 18    coordinates: [  0.395094230000000,  0.702328825000000,  0.753272310000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 19    coordinates: [  0.098424340000000,  0.359237110000000,  0.413546840000000 ]    mass: 107.868200    reduced_to: 19  - symbol: Ag # 20    coordinates: [  0.098424340000000,  0.859237110000000,  0.413546840000000 ]    mass: 107.868200    reduced_to: 19  - symbol: Ag # 21    coordinates: [  0.098424340000000,  0.140762890000000,  0.913546840000000 ]    mass: 107.868200    reduced_to: 21  - symbol: Ag # 22    coordinates: [  0.098424340000000,  0.640762890000000,  0.913546840000000 ]    mass: 107.868200    reduced_to: 21  - symbol: Ag # 23    coordinates: [  0.395094230000000,  0.297671175000000,  0.253272310000000 ]    mass: 107.868200    reduced_to: 23  - symbol: Ag # 24    coordinates: [  0.395094230000000,  0.797671175000000,  0.253272310000000 ]    mass: 107.868200    reduced_to: 23  - symbol: Ag # 25    coordinates: [  0.895094230000000,  0.452328825000000,  0.753272310000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 26    coordinates: [  0.895094230000000,  0.952328825000000,  0.753272310000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 27    coordinates: [  0.598424340000000,  0.109237110000000,  0.413546840000000 ]    mass: 107.868200    reduced_to: 19  - symbol: Ag # 28    coordinates: [  0.598424340000000,  0.609237110000000,  0.413546840000000 ]    mass: 107.868200    reduced_to: 19  - symbol: Ag # 29    coordinates: [  0.598424340000000,  0.390762890000000,  0.913546840000000 ]    mass: 107.868200    reduced_to: 21  - symbol: Ag # 30    coordinates: [  0.598424340000000,  0.890762890000000,  0.913546840000000 ]    mass: 107.868200    reduced_to: 21  - symbol: Ag # 31    coordinates: [  0.895094230000000,  0.047671175000000,  0.253272310000000 ]    mass: 107.868200    reduced_to: 23  - symbol: Ag # 32    coordinates: [  0.895094230000000,  0.547671175000000,  0.253272310000000 ]    mass: 107.868200    reduced_to: 23  - symbol: Ge # 33    coordinates: [  0.169397970000000,  0.381431260000000,  0.999710540000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 34    coordinates: [  0.169397970000000,  0.881431260000000,  0.999710540000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 35    coordinates: [  0.169397970000000,  0.118568740000000,  0.499710540000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 36    coordinates: [  0.169397970000000,  0.618568740000000,  0.499710540000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 37    coordinates: [  0.669397970000000,  0.131431260000000,  0.999710540000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 38    coordinates: [  0.669397970000000,  0.631431260000000,  0.999710540000000 ]    mass: 72.640000    reduced_to: 33  - symbol: Ge # 39    coordinates: [  0.669397970000000,  0.368568740000000,  0.499710540000000 ]    mass: 72.640000    reduced_to: 35  - symbol: Ge # 40    coordinates: [  0.669397970000000,  0.868568740000000,  0.499710540000000 ]    mass: 72.640000    reduced_to: 35  - symbol: S  # 41    coordinates: [  0.787436270000000,  0.365598905000000,  0.870133190000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.787436270000000,  0.865598905000000,  0.870133190000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 43    coordinates: [  0.860684730000000,  0.370174160000000,  0.549290090000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.860684730000000,  0.870174160000000,  0.549290090000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 45    coordinates: [  0.908352970000000,  0.127347820000000,  0.743617740000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.908352970000000,  0.627347820000000,  0.743617740000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 47    coordinates: [  0.092771710000000,  0.366671865000000,  0.807854960000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.092771710000000,  0.866671865000000,  0.807854960000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 49    coordinates: [  0.122536480000000,  0.244232425000000,  0.581281840000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.122536480000000,  0.744232425000000,  0.581281840000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 51    coordinates: [  0.122536480000000,  0.255767575000000,  0.081281840000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.122536480000000,  0.755767575000000,  0.081281840000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 53    coordinates: [  0.860684730000000,  0.129825840000000,  0.049290090000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.860684730000000,  0.629825840000000,  0.049290090000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 55    coordinates: [  0.092771710000000,  0.133328135000000,  0.307854960000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.092771710000000,  0.633328135000000,  0.307854960000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 57    coordinates: [  0.908352970000000,  0.372652180000000,  0.243617740000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.908352970000000,  0.872652180000000,  0.243617740000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 59    coordinates: [  0.787436270000000,  0.134401095000000,  0.370133190000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.787436270000000,  0.634401095000000,  0.370133190000000 ]    mass: 32.065000    reduced_to: 59  - 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