# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3d99be86-ca32-48ec-b760-6a2eae6dc099/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 CsSrN9 / C2/c (15) / materials id 29228](https://mdr.nims.go.jp/datasets/4a599c29-032e-4b1f-bcab-c749a9fa51c3)

## 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: "C2/c"  number: 15  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,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     4.530156690000000,    -5.104272900000000,    -0.023515720000000 ] # a  - [     4.530156690000000,     5.104272900000000,    -0.023515720000000 ] # b  - [    -4.388793950000000,     0.000000000000000,     7.757113980000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.087448860000000,  0.259407480000000,  0.650069860000000 ]    mass: 14.006700  - symbol: N  # 2    coordinates: [  0.740592520000000,  0.912551140000000,  0.849930140000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.912551140000000,  0.740592520000000,  0.349930140000000 ]    mass: 14.006700  - symbol: N  # 4    coordinates: [  0.259407480000000,  0.087448860000000,  0.150069860000000 ]    mass: 14.006700  - symbol: N  # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 14.006700  - symbol: N  # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 14.006700  - symbol: N  # 7    coordinates: [  0.456422140000000,  0.665698280000000,  0.049167610000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.334301720000000,  0.543577860000000,  0.450832390000000 ]    mass: 14.006700  - symbol: N  # 9    coordinates: [  0.543577860000000,  0.334301720000000,  0.950832390000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.665698280000000,  0.456422140000000,  0.549167610000000 ]    mass: 14.006700  - symbol: N  # 11    coordinates: [  0.180510610000000,  0.211396010000000,  0.101529790000000 ]    mass: 14.006700  - symbol: N  # 12    coordinates: [  0.788603990000000,  0.819489390000000,  0.398470210000000 ]    mass: 14.006700  - symbol: N  # 13    coordinates: [  0.819489390000000,  0.788603990000000,  0.898470210000000 ]    mass: 14.006700  - symbol: N  # 14    coordinates: [  0.211396010000000,  0.180510610000000,  0.601529790000000 ]    mass: 14.006700  - symbol: N  # 15    coordinates: [  0.100105580000000,  0.336385700000000,  0.053743040000000 ]    mass: 14.006700  - symbol: N  # 16    coordinates: [  0.663614300000000,  0.899894420000000,  0.446256960000000 ]    mass: 14.006700  - symbol: N  # 17    coordinates: [  0.899894420000000,  0.663614300000000,  0.946256960000000 ]    mass: 14.006700  - symbol: N  # 18    coordinates: [  0.336385700000000,  0.100105580000000,  0.553743040000000 ]    mass: 14.006700  - symbol: Sr # 19    coordinates: [  0.761343610000000,  0.238656390000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 20    coordinates: [  0.238656390000000,  0.761343610000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Cs # 21    coordinates: [  0.207389560000000,  0.792610440000000,  0.750000000000000 ]    mass: 132.905452  - symbol: Cs # 22    coordinates: [  0.792610440000000,  0.207389560000000,  0.250000000000000 ]    mass: 132.905452  reciprocal_lattice: # without 2pi  - [     0.110696563678930,    -0.097957144885416,     0.062629530803914 ] # a*  - [     0.110696563678930,     0.097957144885416,     0.062629530803914 ] # b*  - [     0.000671154092398,     0.000000000000000,     0.129293647045294 ] # c*unit_cell:  lattice:  - [     9.060313380000000,     0.000000000000000,    -0.047031440000000 ] # a  - [     0.000000000000000,    10.208545800000000,     0.000000000000000 ] # b  - [    -4.388793950000000,     0.000000000000000,     7.757113980000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.673428170000000,  0.585979310000000,  0.650069860000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.326571830000000,  0.585979310000000,  0.849930140000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.326571830000000,  0.414020690000000,  0.349930140000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.673428170000000,  0.414020690000000,  0.150069860000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 5    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.061060210000000,  0.604638070000000,  0.049167610000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.938939790000000,  0.604638070000000,  0.450832390000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.938939790000000,  0.395361930000000,  0.950832390000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.061060210000000,  0.395361930000000,  0.549167610000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.695953310000000,  0.515442700000000,  0.101529790000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.304046690000000,  0.515442700000000,  0.398470210000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 13    coordinates: [  0.304046690000000,  0.484557300000000,  0.898470210000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.695953310000000,  0.484557300000000,  0.601529790000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 15    coordinates: [  0.718245640000000,  0.618140060000000,  0.053743040000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.281754360000000,  0.618140060000000,  0.446256960000000 ]    mass: 14.006700    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.281754360000000,  0.381859940000000,  0.946256960000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.718245640000000,  0.381859940000000,  0.553743040000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.173428170000000,  0.085979310000000,  0.650069860000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 20    coordinates: [  0.826571830000000,  0.085979310000000,  0.849930140000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 21    coordinates: [  0.826571830000000,  0.914020690000000,  0.349930140000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 22    coordinates: [  0.173428170000000,  0.914020690000000,  0.150069860000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 23    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 24    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 25    coordinates: [  0.561060210000000,  0.104638070000000,  0.049167610000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 26    coordinates: [  0.438939790000000,  0.104638070000000,  0.450832390000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 27    coordinates: [  0.438939790000000,  0.895361930000000,  0.950832390000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 28    coordinates: [  0.561060210000000,  0.895361930000000,  0.549167610000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 29    coordinates: [  0.195953310000000,  0.015442700000000,  0.101529790000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 30    coordinates: [  0.804046690000000,  0.015442700000000,  0.398470210000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 31    coordinates: [  0.804046690000000,  0.984557300000000,  0.898470210000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 32    coordinates: [  0.195953310000000,  0.984557300000000,  0.601529790000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 33    coordinates: [  0.218245640000000,  0.118140060000000,  0.053743040000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 34    coordinates: [  0.781754360000000,  0.118140060000000,  0.446256960000000 ]    mass: 14.006700    reduced_to: 16  - symbol: N  # 35    coordinates: [  0.781754360000000,  0.881859940000000,  0.946256960000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 36    coordinates: [  0.218245640000000,  0.881859940000000,  0.553743040000000 ]    mass: 14.006700    reduced_to: 18  - symbol: Sr # 37    coordinates: [  0.000000000000000,  0.238656390000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.000000000000000,  0.761343610000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 39    coordinates: [  0.500000000000000,  0.738656390000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 40    coordinates: [  0.500000000000000,  0.261343610000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Cs # 41    coordinates: [  0.000000000000000,  0.792610440000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 41  - symbol: Cs # 42    coordinates: [  0.000000000000000,  0.207389560000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 42  - symbol: Cs # 43    coordinates: [  0.500000000000000,  0.292610440000000,  0.750000000000000 ]    mass: 132.905452    reduced_to: 41  - symbol: Cs # 44    coordinates: [  0.500000000000000,  0.707389560000000,  0.250000000000000 ]    mass: 132.905452    reduced_to: 42supercell:  lattice:  - [     9.060313380000000,     0.000000000000000,    -0.047031440000000 ] # a  - [     0.000000000000000,    10.208545800000000,     0.000000000000000 ] # b  - [    -8.777587900000000,     0.000000000000000,    15.514227959999999 ] # c  points:  - symbol: N  # 1    coordinates: [  0.673428170000000,  0.585979310000000,  0.325034930000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.673428170000000,  0.585979310000000,  0.825034930000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 3    coordinates: [  0.326571830000000,  0.585979310000000,  0.424965070000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.326571830000000,  0.585979310000000,  0.924965070000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 5    coordinates: [  0.326571830000000,  0.414020690000000,  0.174965070000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.326571830000000,  0.414020690000000,  0.674965070000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 7    coordinates: [  0.673428170000000,  0.414020690000000,  0.075034930000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.673428170000000,  0.414020690000000,  0.575034930000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 13    coordinates: [  0.061060210000000,  0.604638070000000,  0.024583805000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.061060210000000,  0.604638070000000,  0.524583805000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 15    coordinates: [  0.938939790000000,  0.604638070000000,  0.225416195000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.938939790000000,  0.604638070000000,  0.725416195000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 17    coordinates: [  0.938939790000000,  0.395361930000000,  0.475416195000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.938939790000000,  0.395361930000000,  0.975416195000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 19    coordinates: [  0.061060210000000,  0.395361930000000,  0.274583805000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.061060210000000,  0.395361930000000,  0.774583805000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 21    coordinates: [  0.695953310000000,  0.515442700000000,  0.050764895000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.695953310000000,  0.515442700000000,  0.550764895000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 23    coordinates: [  0.304046690000000,  0.515442700000000,  0.199235105000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.304046690000000,  0.515442700000000,  0.699235105000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 25    coordinates: [  0.304046690000000,  0.484557300000000,  0.449235105000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.304046690000000,  0.484557300000000,  0.949235105000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 27    coordinates: [  0.695953310000000,  0.484557300000000,  0.300764895000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.695953310000000,  0.484557300000000,  0.800764895000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 29    coordinates: [  0.718245640000000,  0.618140060000000,  0.026871520000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.718245640000000,  0.618140060000000,  0.526871520000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 31    coordinates: [  0.281754360000000,  0.618140060000000,  0.223128480000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.281754360000000,  0.618140060000000,  0.723128480000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 33    coordinates: [  0.281754360000000,  0.381859940000000,  0.473128480000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.281754360000000,  0.381859940000000,  0.973128480000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 35    coordinates: [  0.718245640000000,  0.381859940000000,  0.276871520000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.718245640000000,  0.381859940000000,  0.776871520000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 37    coordinates: [  0.173428170000000,  0.085979310000000,  0.325034930000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 38    coordinates: [  0.173428170000000,  0.085979310000000,  0.825034930000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 39    coordinates: [  0.826571830000000,  0.085979310000000,  0.424965070000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 40    coordinates: [  0.826571830000000,  0.085979310000000,  0.924965070000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 41    coordinates: [  0.826571830000000,  0.914020690000000,  0.174965070000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 42    coordinates: [  0.826571830000000,  0.914020690000000,  0.674965070000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 43    coordinates: [  0.173428170000000,  0.914020690000000,  0.075034930000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 44    coordinates: [  0.173428170000000,  0.914020690000000,  0.575034930000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 45    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 46    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 47    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 48    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 49    coordinates: [  0.561060210000000,  0.104638070000000,  0.024583805000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 50    coordinates: [  0.561060210000000,  0.104638070000000,  0.524583805000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 51    coordinates: [  0.438939790000000,  0.104638070000000,  0.225416195000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 52    coordinates: [  0.438939790000000,  0.104638070000000,  0.725416195000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 53    coordinates: [  0.438939790000000,  0.895361930000000,  0.475416195000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 54    coordinates: [  0.438939790000000,  0.895361930000000,  0.975416195000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 55    coordinates: [  0.561060210000000,  0.895361930000000,  0.274583805000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 56    coordinates: [  0.561060210000000,  0.895361930000000,  0.774583805000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 57    coordinates: [  0.195953310000000,  0.015442700000000,  0.050764895000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 58    coordinates: [  0.195953310000000,  0.015442700000000,  0.550764895000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 59    coordinates: [  0.804046690000000,  0.015442700000000,  0.199235105000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 60    coordinates: [  0.804046690000000,  0.015442700000000,  0.699235105000000 ]    mass: 14.006700    reduced_to: 23  - 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symbol: N  # 69    coordinates: [  0.781754360000000,  0.881859940000000,  0.473128480000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 70    coordinates: [  0.781754360000000,  0.881859940000000,  0.973128480000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 71    coordinates: [  0.218245640000000,  0.881859940000000,  0.276871520000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 72    coordinates: [  0.218245640000000,  0.881859940000000,  0.776871520000000 ]    mass: 14.006700    reduced_to: 35  - symbol: Sr # 73    coordinates: [  0.000000000000000,  0.238656390000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 74    coordinates: [  0.000000000000000,  0.238656390000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 73  - symbol: Sr # 75    coordinates: [  0.000000000000000,  0.761343610000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 75  - symbol: Sr # 76    coordinates: [  0.000000000000000,  0.761343610000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 75  - 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