# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/aa9d6680-de98-48a7-83ec-912b35d7d886/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 Sr2InF7 / P2_1/c (14) / materials id 14283](https://mdr.nims.go.jp/datasets/64879aad-fcc8-49cb-8fe2-ae783209914c)

## 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: "P2_1/c"  number: 14  Hall_symbol: "-P 2ybc"supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.467737960000000,     0.000000000000000,    -0.005195050000000 ] # a  - [     0.000000000000000,    12.252974379999999,     0.000000000000000 ] # b  - [    -0.093127380000000,     0.000000000000000,     8.279641310000001 ] # c  points:  - symbol: F  # 1    coordinates: [  0.204526500000000,  0.141293660000000,  0.035374630000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.795473500000000,  0.641293660000000,  0.464625370000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.795473500000000,  0.858706340000000,  0.964625370000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.204526500000000,  0.358706340000000,  0.535374630000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.632102830000000,  0.427150470000000,  0.374830030000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.367897170000000,  0.927150470000000,  0.125169970000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.367897170000000,  0.572849530000000,  0.625169970000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.632102830000000,  0.072849530000000,  0.874830030000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.504583500000000,  0.772014840000000,  0.702727930000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.495416500000000,  0.272014840000000,  0.797272070000000 ]    mass: 18.998403  - symbol: F  # 11    coordinates: [  0.495416500000000,  0.227985160000000,  0.297272070000000 ]    mass: 18.998403  - symbol: F  # 12    coordinates: [  0.504583500000000,  0.727985160000000,  0.202727930000000 ]    mass: 18.998403  - symbol: F  # 13    coordinates: [  0.505305330000000,  0.604026010000000,  0.926571720000000 ]    mass: 18.998403  - symbol: F  # 14    coordinates: [  0.494694670000000,  0.104026010000000,  0.573428280000000 ]    mass: 18.998403  - symbol: F  # 15    coordinates: [  0.494694670000000,  0.395973990000000,  0.073428280000000 ]    mass: 18.998403  - symbol: F  # 16    coordinates: [  0.505305330000000,  0.895973990000000,  0.426571720000000 ]    mass: 18.998403  - symbol: F  # 17    coordinates: [  0.988196190000000,  0.755914150000000,  0.693708690000000 ]    mass: 18.998403  - symbol: F  # 18    coordinates: [  0.011803810000000,  0.255914150000000,  0.806291310000000 ]    mass: 18.998403  - symbol: F  # 19    coordinates: [  0.011803810000000,  0.244085850000000,  0.306291310000000 ]    mass: 18.998403  - symbol: F  # 20    coordinates: [  0.988196190000000,  0.744085850000000,  0.193708690000000 ]    mass: 18.998403  - symbol: F  # 21    coordinates: [  0.986726380000000,  0.604257480000000,  0.911278650000000 ]    mass: 18.998403  - symbol: F  # 22    coordinates: [  0.013273620000000,  0.104257480000000,  0.588721350000000 ]    mass: 18.998403  - symbol: F  # 23    coordinates: [  0.013273620000000,  0.395742520000000,  0.088721350000000 ]    mass: 18.998403  - symbol: F  # 24    coordinates: [  0.986726380000000,  0.895742520000000,  0.411278650000000 ]    mass: 18.998403  - symbol: F  # 25    coordinates: [  0.197253020000000,  0.957380640000000,  0.787964650000000 ]    mass: 18.998403  - symbol: F  # 26    coordinates: [  0.802746980000000,  0.457380640000000,  0.712035350000000 ]    mass: 18.998403  - symbol: F  # 27    coordinates: [  0.802746980000000,  0.042619360000000,  0.212035350000000 ]    mass: 18.998403  - symbol: F  # 28    coordinates: [  0.197253020000000,  0.542619360000000,  0.287964650000000 ]    mass: 18.998403  - symbol: Sr # 29    coordinates: [  0.235076200000000,  0.721212670000000,  0.446182110000000 ]    mass: 87.620000  - symbol: Sr # 30    coordinates: [  0.764923800000000,  0.221212670000000,  0.053817890000000 ]    mass: 87.620000  - symbol: Sr # 31    coordinates: [  0.764923800000000,  0.278787330000000,  0.553817890000000 ]    mass: 87.620000  - symbol: Sr # 32    coordinates: [  0.235076200000000,  0.778787330000000,  0.946182110000000 ]    mass: 87.620000  - symbol: Sr # 33    coordinates: [  0.764171590000000,  0.938135520000000,  0.675872560000000 ]    mass: 87.620000  - symbol: Sr # 34    coordinates: [  0.235828410000000,  0.438135520000000,  0.824127440000000 ]    mass: 87.620000  - symbol: Sr # 35    coordinates: [  0.235828410000000,  0.061864480000000,  0.324127440000000 ]    mass: 87.620000  - symbol: Sr # 36    coordinates: [  0.764171590000000,  0.561864480000000,  0.175872560000000 ]    mass: 87.620000  - symbol: In # 37    coordinates: [  0.720700730000000,  0.625173400000000,  0.712896610000000 ]    mass: 114.818000  - symbol: In # 38    coordinates: [  0.279299270000000,  0.125173400000000,  0.787103390000000 ]    mass: 114.818000  - symbol: In # 39    coordinates: [  0.279299270000000,  0.374826600000000,  0.287103390000000 ]    mass: 114.818000  - symbol: In # 40    coordinates: [  0.720700730000000,  0.874826600000000,  0.212896610000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [     0.182892942974832,     0.000000000000000,     0.002057135081343 ] # a*  - [     0.000000000000000,     0.081612836931436,     0.000000000000000 ] # b*  - [     0.000114755935412,     0.000000000000000,     0.120779469723140 ] # c*unit_cell:  lattice:  - [     5.467737960000000,     0.000000000000000,    -0.005195050000000 ] # a  - [     0.000000000000000,    12.252974379999999,     0.000000000000000 ] # b  - [    -0.093127380000000,     0.000000000000000,     8.279641310000001 ] # c  points:  - symbol: F  # 1    coordinates: [  0.204526500000000,  0.141293660000000,  0.035374630000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.795473500000000,  0.641293660000000,  0.464625370000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.795473500000000,  0.858706340000000,  0.964625370000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.204526500000000,  0.358706340000000,  0.535374630000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.632102830000000,  0.427150470000000,  0.374830030000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.367897170000000,  0.927150470000000,  0.125169970000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.367897170000000,  0.572849530000000,  0.625169970000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.632102830000000,  0.072849530000000,  0.874830030000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 9    coordinates: [  0.504583500000000,  0.772014840000000,  0.702727930000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.495416500000000,  0.272014840000000,  0.797272070000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 11    coordinates: [  0.495416500000000,  0.227985160000000,  0.297272070000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.504583500000000,  0.727985160000000,  0.202727930000000 ]    mass: 18.998403    reduced_to: 12  - symbol: F  # 13    coordinates: [  0.505305330000000,  0.604026010000000,  0.926571720000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.494694670000000,  0.104026010000000,  0.573428280000000 ]    mass: 18.998403    reduced_to: 14  - symbol: F  # 15    coordinates: [  0.494694670000000,  0.395973990000000,  0.073428280000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.505305330000000,  0.895973990000000,  0.426571720000000 ]    mass: 18.998403    reduced_to: 16  - symbol: F  # 17    coordinates: [  0.988196190000000,  0.755914150000000,  0.693708690000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.011803810000000,  0.255914150000000,  0.806291310000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.011803810000000,  0.244085850000000,  0.306291310000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.988196190000000,  0.744085850000000,  0.193708690000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.986726380000000,  0.604257480000000,  0.911278650000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.013273620000000,  0.104257480000000,  0.588721350000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 23    coordinates: [  0.013273620000000,  0.395742520000000,  0.088721350000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 24    coordinates: [  0.986726380000000,  0.895742520000000,  0.411278650000000 ]    mass: 18.998403    reduced_to: 24  - symbol: F  # 25    coordinates: [  0.197253020000000,  0.957380640000000,  0.787964650000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.802746980000000,  0.457380640000000,  0.712035350000000 ]    mass: 18.998403    reduced_to: 26  - symbol: F  # 27    coordinates: [  0.802746980000000,  0.042619360000000,  0.212035350000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 28    coordinates: [  0.197253020000000,  0.542619360000000,  0.287964650000000 ]    mass: 18.998403    reduced_to: 28  - symbol: Sr # 29    coordinates: [  0.235076200000000,  0.721212670000000,  0.446182110000000 ]    mass: 87.620000    reduced_to: 29  - symbol: Sr # 30    coordinates: [  0.764923800000000,  0.221212670000000,  0.053817890000000 ]    mass: 87.620000    reduced_to: 30  - symbol: Sr # 31    coordinates: [  0.764923800000000,  0.278787330000000,  0.553817890000000 ]    mass: 87.620000    reduced_to: 31  - symbol: Sr # 32    coordinates: [  0.235076200000000,  0.778787330000000,  0.946182110000000 ]    mass: 87.620000    reduced_to: 32  - symbol: Sr # 33    coordinates: [  0.764171590000000,  0.938135520000000,  0.675872560000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 34    coordinates: [  0.235828410000000,  0.438135520000000,  0.824127440000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 35    coordinates: [  0.235828410000000,  0.061864480000000,  0.324127440000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 36    coordinates: [  0.764171590000000,  0.561864480000000,  0.175872560000000 ]    mass: 87.620000    reduced_to: 36  - symbol: In # 37    coordinates: [  0.720700730000000,  0.625173400000000,  0.712896610000000 ]    mass: 114.818000    reduced_to: 37  - symbol: In # 38    coordinates: [  0.279299270000000,  0.125173400000000,  0.787103390000000 ]    mass: 114.818000    reduced_to: 38  - symbol: In # 39    coordinates: [  0.279299270000000,  0.374826600000000,  0.287103390000000 ]    mass: 114.818000    reduced_to: 39  - symbol: In # 40    coordinates: [  0.720700730000000,  0.874826600000000,  0.212896610000000 ]    mass: 114.818000    reduced_to: 40supercell:  lattice:  - [    10.935475920000000,     0.000000000000000,    -0.010390100000000 ] # a  - [     0.000000000000000,    12.252974379999999,     0.000000000000000 ] # b  - [    -0.093127380000000,     0.000000000000000,     8.279641310000001 ] # c  points:  - symbol: F  # 1    coordinates: [  0.102263250000000,  0.141293660000000,  0.035374630000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.602263250000000,  0.141293660000000,  0.035374630000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.397736750000000,  0.641293660000000,  0.464625370000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.897736750000000,  0.641293660000000,  0.464625370000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 5    coordinates: [  0.397736750000000,  0.858706340000000,  0.964625370000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.897736750000000,  0.858706340000000,  0.964625370000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 7    coordinates: [  0.102263250000000,  0.358706340000000,  0.535374630000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.602263250000000,  0.358706340000000,  0.535374630000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 9    coordinates: [  0.316051415000000,  0.427150470000000,  0.374830030000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.816051415000000,  0.427150470000000,  0.374830030000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.183948585000000,  0.927150470000000,  0.125169970000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.683948585000000,  0.927150470000000,  0.125169970000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 13    coordinates: [  0.183948585000000,  0.572849530000000,  0.625169970000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 14    coordinates: [  0.683948585000000,  0.572849530000000,  0.625169970000000 ]    mass: 18.998403    reduced_to: 13  - symbol: F  # 15    coordinates: [  0.316051415000000,  0.072849530000000,  0.874830030000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 16    coordinates: [  0.816051415000000,  0.072849530000000,  0.874830030000000 ]    mass: 18.998403    reduced_to: 15  - symbol: F  # 17    coordinates: [  0.252291750000000,  0.772014840000000,  0.702727930000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.752291750000000,  0.772014840000000,  0.702727930000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.247708250000000,  0.272014840000000,  0.797272070000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.747708250000000,  0.272014840000000,  0.797272070000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 21    coordinates: [  0.247708250000000,  0.227985160000000,  0.297272070000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.747708250000000,  0.227985160000000,  0.297272070000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 23    coordinates: [  0.252291750000000,  0.727985160000000,  0.202727930000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 24    coordinates: [  0.752291750000000,  0.727985160000000,  0.202727930000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 25    coordinates: [  0.252652665000000,  0.604026010000000,  0.926571720000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.752652665000000,  0.604026010000000,  0.926571720000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 27    coordinates: [  0.247347335000000,  0.104026010000000,  0.573428280000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 28    coordinates: [  0.747347335000000,  0.104026010000000,  0.573428280000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 29    coordinates: [  0.247347335000000,  0.395973990000000,  0.073428280000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 30    coordinates: [  0.747347335000000,  0.395973990000000,  0.073428280000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 31    coordinates: [  0.252652665000000,  0.895973990000000,  0.426571720000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 32    coordinates: [  0.752652665000000,  0.895973990000000,  0.426571720000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 33    coordinates: [  0.494098095000000,  0.755914150000000,  0.693708690000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.994098095000000,  0.755914150000000,  0.693708690000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.005901905000000,  0.255914150000000,  0.806291310000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 36    coordinates: [  0.505901905000000,  0.255914150000000,  0.806291310000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 37    coordinates: [  0.005901905000000,  0.244085850000000,  0.306291310000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 38    coordinates: [  0.505901905000000,  0.244085850000000,  0.306291310000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 39    coordinates: [  0.494098095000000,  0.744085850000000,  0.193708690000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 40    coordinates: [  0.994098095000000,  0.744085850000000,  0.193708690000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 41    coordinates: [  0.493363190000000,  0.604257480000000,  0.911278650000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 42    coordinates: [  0.993363190000000,  0.604257480000000,  0.911278650000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 43    coordinates: [  0.006636810000000,  0.104257480000000,  0.588721350000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 44    coordinates: [  0.506636810000000,  0.104257480000000,  0.588721350000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 45    coordinates: [  0.006636810000000,  0.395742520000000,  0.088721350000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 46    coordinates: [  0.506636810000000,  0.395742520000000,  0.088721350000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 47    coordinates: [  0.493363190000000,  0.895742520000000,  0.411278650000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 48    coordinates: [  0.993363190000000,  0.895742520000000,  0.411278650000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 49    coordinates: [  0.098626510000000,  0.957380640000000,  0.787964650000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 50    coordinates: [  0.598626510000000,  0.957380640000000,  0.787964650000000 ]    mass: 18.998403    reduced_to: 49  - 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symbol: Sr # 59    coordinates: [  0.382461900000000,  0.221212670000000,  0.053817890000000 ]    mass: 87.620000    reduced_to: 59  - symbol: Sr # 60    coordinates: [  0.882461900000000,  0.221212670000000,  0.053817890000000 ]    mass: 87.620000    reduced_to: 59  - symbol: Sr # 61    coordinates: [  0.382461900000000,  0.278787330000000,  0.553817890000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 62    coordinates: [  0.882461900000000,  0.278787330000000,  0.553817890000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 63    coordinates: [  0.117538100000000,  0.778787330000000,  0.946182110000000 ]    mass: 87.620000    reduced_to: 63  - symbol: Sr # 64    coordinates: [  0.617538100000000,  0.778787330000000,  0.946182110000000 ]    mass: 87.620000    reduced_to: 63  - symbol: Sr # 65    coordinates: [  0.382085795000000,  0.938135520000000,  0.675872560000000 ]    mass: 87.620000    reduced_to: 65  - symbol: Sr # 66    coordinates: [  0.882085795000000,  0.938135520000000,  0.675872560000000 ]    mass: 87.620000    reduced_to: 65  - 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