# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/34a45cb3-bc04-46d9-8ac8-af07d9fafed8/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 DyPS4 / I4_1/acd (142) / materials id 5241](https://mdr.nims.go.jp/datasets/7eae7852-309f-49b5-ab22-b64e449e3980)

## 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: "I4_1/acd"  number: 142  Hall_symbol: "I 4bw 2aw -1bw"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -5.284321530000000,     5.284321530000000,     9.405789550000000 ] # a  - [     5.284321530000000,    -5.284321530000000,     9.405789550000000 ] # b  - [     5.284321530000000,     5.284321530000000,    -9.405789550000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.125000000000000,  0.836656190000000,  0.211656190000000 ]    mass: 30.973762  - symbol: P  # 2    coordinates: [  0.125000000000000,  0.336656190000000,  0.711656190000000 ]    mass: 30.973762  - symbol: P  # 3    coordinates: [  0.086656190000000,  0.875000000000000,  0.711656190000000 ]    mass: 30.973762  - symbol: P  # 4    coordinates: [  0.163343810000000,  0.375000000000000,  0.288343810000000 ]    mass: 30.973762  - symbol: P  # 5    coordinates: [  0.625000000000000,  0.413343810000000,  0.288343810000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.625000000000000,  0.913343810000000,  0.788343810000000 ]    mass: 30.973762  - symbol: P  # 7    coordinates: [  0.663343810000000,  0.375000000000000,  0.788343810000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.586656190000000,  0.875000000000000,  0.211656190000000 ]    mass: 30.973762  - symbol: S  # 9    coordinates: [  0.261413510000000,  0.537121950000000,  0.554078660000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.983043290000000,  0.707334850000000,  0.445921340000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.457334850000000,  0.511413510000000,  0.224291560000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.287121950000000,  0.233043290000000,  0.775708440000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.266956710000000,  0.212878050000000,  0.224291560000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.988586490000000,  0.042665150000000,  0.775708440000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.962878050000000,  0.238586490000000,  0.445921340000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.792665150000000,  0.516956710000000,  0.554078660000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.647810830000000,  0.461986690000000,  0.679087320000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.211986690000000,  0.032899370000000,  0.314175860000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.718723510000000,  0.897810830000000,  0.685824140000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.602189170000000,  0.781276490000000,  0.314175860000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.467100630000000,  0.288013310000000,  0.685824140000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.531276490000000,  0.717100630000000,  0.679087320000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.038013310000000,  0.852189170000000,  0.320912680000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.782899370000000,  0.968723510000000,  0.320912680000000 ]    mass: 32.065000  - symbol: S  # 25    coordinates: [  0.102189170000000,  0.788013310000000,  0.820912680000000 ]    mass: 32.065000  - symbol: S  # 26    coordinates: [  0.538013310000000,  0.217100630000000,  0.185824140000000 ]    mass: 32.065000  - symbol: S  # 27    coordinates: [  0.031276490000000,  0.352189170000000,  0.814175860000000 ]    mass: 32.065000  - symbol: S  # 28    coordinates: [  0.147810830000000,  0.468723510000000,  0.185824140000000 ]    mass: 32.065000  - symbol: S  # 29    coordinates: [  0.282899370000000,  0.961986690000000,  0.814175860000000 ]    mass: 32.065000  - symbol: S  # 30    coordinates: [  0.218723510000000,  0.532899370000000,  0.820912680000000 ]    mass: 32.065000  - symbol: S  # 31    coordinates: [  0.711986690000000,  0.397810830000000,  0.179087320000000 ]    mass: 32.065000  - symbol: S  # 32    coordinates: [  0.967100630000000,  0.281276490000000,  0.179087320000000 ]    mass: 32.065000  - symbol: S  # 33    coordinates: [  0.766956710000000,  0.542665150000000,  0.054078660000000 ]    mass: 32.065000  - symbol: S  # 34    coordinates: [  0.292665150000000,  0.738586490000000,  0.275708440000000 ]    mass: 32.065000  - symbol: S  # 35    coordinates: [  0.462878050000000,  0.016956710000000,  0.724291560000000 ]    mass: 32.065000  - symbol: S  # 36    coordinates: [  0.483043290000000,  0.037121950000000,  0.275708440000000 ]    mass: 32.065000  - symbol: S  # 37    coordinates: [  0.761413510000000,  0.207334850000000,  0.724291560000000 ]    mass: 32.065000  - symbol: S  # 38    coordinates: [  0.787121950000000,  0.011413510000000,  0.054078660000000 ]    mass: 32.065000  - symbol: S  # 39    coordinates: [  0.957334850000000,  0.733043290000000,  0.945921340000000 ]    mass: 32.065000  - symbol: S  # 40    coordinates: [  0.488586490000000,  0.712878050000000,  0.945921340000000 ]    mass: 32.065000  - symbol: Dy # 41    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000  - symbol: Dy # 42    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 43    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 44    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 162.500000  - symbol: Dy # 45    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 162.500000  - symbol: Dy # 46    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 47    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 162.500000  - symbol: Dy # 48    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 162.500000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.094619526302746,     0.053158748379608 ] # a*  - [     0.094619526302746,     0.000000000000000,     0.053158748379608 ] # b*  - [     0.094619526302746,     0.094619526302746,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    10.568643059999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.568643059999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.811579099999999 ] # c  points:  - symbol: P  # 1    coordinates: [  0.961656190000000,  0.250000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.461656190000000,  0.250000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 3    coordinates: [  0.750000000000000,  0.961656190000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.250000000000000,  0.038343810000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.538343810000000,  0.750000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.038343810000000,  0.750000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 7    coordinates: [  0.250000000000000,  0.538343810000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.750000000000000,  0.461656190000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 9    coordinates: [  0.461656190000000,  0.750000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 10    coordinates: [  0.961656190000000,  0.750000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 11    coordinates: [  0.250000000000000,  0.461656190000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 12    coordinates: [  0.750000000000000,  0.538343810000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 13    coordinates: [  0.038343810000000,  0.250000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 14    coordinates: [  0.538343810000000,  0.250000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 15    coordinates: [  0.750000000000000,  0.038343810000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 16    coordinates: [  0.250000000000000,  0.961656190000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 8  - symbol: S  # 17    coordinates: [  0.414893550000000,  0.139185110000000,  0.122228400000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.585106450000000,  0.860814890000000,  0.122228400000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.639185110000000,  0.585106450000000,  0.872228400000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.360814890000000,  0.414893550000000,  0.872228400000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.585106450000000,  0.639185110000000,  0.627771600000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.414893550000000,  0.360814890000000,  0.627771600000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.360814890000000,  0.085106450000000,  0.877771600000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.639185110000000,  0.914893550000000,  0.877771600000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.746631590000000,  0.932455730000000,  0.715355100000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.067544270000000,  0.246631590000000,  0.965355100000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.932455730000000,  0.753368410000000,  0.965355100000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.746631590000000,  0.567544270000000,  0.034644900000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.253368410000000,  0.432455730000000,  0.034644900000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.932455730000000,  0.746631590000000,  0.784644900000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.067544270000000,  0.253368410000000,  0.784644900000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.253368410000000,  0.067544270000000,  0.715355100000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.753368410000000,  0.067544270000000,  0.034644900000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 34    coordinates: [  0.432455730000000,  0.753368410000000,  0.784644900000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 35    coordinates: [  0.567544270000000,  0.246631590000000,  0.784644900000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 36    coordinates: [  0.753368410000000,  0.432455730000000,  0.715355100000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 37    coordinates: [  0.246631590000000,  0.567544270000000,  0.715355100000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.567544270000000,  0.253368410000000,  0.965355100000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 39    coordinates: [  0.432455730000000,  0.746631590000000,  0.965355100000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 40    coordinates: [  0.246631590000000,  0.932455730000000,  0.034644900000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.914893550000000,  0.139185110000000,  0.627771600000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.860814890000000,  0.414893550000000,  0.877771600000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.139185110000000,  0.585106450000000,  0.877771600000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.914893550000000,  0.360814890000000,  0.122228400000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.085106450000000,  0.639185110000000,  0.122228400000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.139185110000000,  0.914893550000000,  0.872228400000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.860814890000000,  0.085106450000000,  0.872228400000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.085106450000000,  0.860814890000000,  0.627771600000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.914893550000000,  0.639185110000000,  0.622228400000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 50    coordinates: [  0.085106450000000,  0.360814890000000,  0.622228400000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 51    coordinates: [  0.139185110000000,  0.085106450000000,  0.372228400000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 52    coordinates: [  0.860814890000000,  0.914893550000000,  0.372228400000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 53    coordinates: [  0.085106450000000,  0.139185110000000,  0.127771600000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 54    coordinates: [  0.914893550000000,  0.860814890000000,  0.127771600000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 55    coordinates: [  0.860814890000000,  0.585106450000000,  0.377771600000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 56    coordinates: [  0.139185110000000,  0.414893550000000,  0.377771600000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 57    coordinates: [  0.246631590000000,  0.432455730000000,  0.215355100000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 58    coordinates: [  0.567544270000000,  0.746631590000000,  0.465355100000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 59    coordinates: [  0.432455730000000,  0.253368410000000,  0.465355100000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 60    coordinates: [  0.246631590000000,  0.067544270000000,  0.534644900000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 61    coordinates: [  0.753368410000000,  0.932455730000000,  0.534644900000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 62    coordinates: [  0.432455730000000,  0.246631590000000,  0.284644900000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 63    coordinates: [  0.567544270000000,  0.753368410000000,  0.284644900000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 64    coordinates: [  0.753368410000000,  0.567544270000000,  0.215355100000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 65    coordinates: [  0.253368410000000,  0.567544270000000,  0.534644900000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 66    coordinates: [  0.932455730000000,  0.253368410000000,  0.284644900000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 67    coordinates: [  0.067544270000000,  0.746631590000000,  0.284644900000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 68    coordinates: [  0.253368410000000,  0.932455730000000,  0.215355100000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 69    coordinates: [  0.746631590000000,  0.067544270000000,  0.215355100000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 70    coordinates: [  0.067544270000000,  0.753368410000000,  0.465355100000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 71    coordinates: [  0.932455730000000,  0.246631590000000,  0.465355100000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 72    coordinates: [  0.746631590000000,  0.432455730000000,  0.534644900000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 73    coordinates: [  0.414893550000000,  0.639185110000000,  0.127771600000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 74    coordinates: [  0.360814890000000,  0.914893550000000,  0.377771600000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 75    coordinates: [  0.639185110000000,  0.085106450000000,  0.377771600000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 76    coordinates: [  0.414893550000000,  0.860814890000000,  0.622228400000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 77    coordinates: [  0.585106450000000,  0.139185110000000,  0.622228400000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 78    coordinates: [  0.639185110000000,  0.414893550000000,  0.372228400000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 79    coordinates: [  0.360814890000000,  0.585106450000000,  0.372228400000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 80    coordinates: [  0.585106450000000,  0.360814890000000,  0.127771600000000 ]    mass: 32.065000    reduced_to: 48  - symbol: Dy # 81    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 162.500000    reduced_to: 81  - symbol: Dy # 82    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 162.500000    reduced_to: 82  - symbol: Dy # 83    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 162.500000    reduced_to: 83  - 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