# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/84e1d624-5067-4e71-9a39-a8c396ec0f98/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 Sr(InS2)2 / Fddd (70) / materials id 21781](https://mdr.nims.go.jp/datasets/91f06ab0-6aee-450d-805c-909e3730b52e)

## 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:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,    10.409104320000001,    10.472491740000001 ] # a  - [     6.475589880000000,     0.000000000000000,    10.472491740000001 ] # b  - [     6.475589880000000,    10.409104320000001,     0.000000000000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.946270110000000,  0.481270410000000,  0.806668070000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.765791410000000,  0.806668070000000,  0.481270410000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.806668070000000,  0.765791410000000,  0.946270110000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.481270410000000,  0.946270110000000,  0.765791410000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.303729890000000,  0.768729590000000,  0.443331930000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.484208590000000,  0.443331930000000,  0.768729590000000 ]    mass: 32.065000  - symbol: S  # 7    coordinates: [  0.443331930000000,  0.484208590000000,  0.303729890000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.768729590000000,  0.303729890000000,  0.484208590000000 ]    mass: 32.065000  - symbol: S  # 9    coordinates: [  0.289123160000000,  0.274799120000000,  0.457777900000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.978299820000000,  0.457777900000000,  0.274799120000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.457777900000000,  0.978299820000000,  0.289123160000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.274799120000000,  0.289123160000000,  0.978299820000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.960876840000000,  0.975200880000000,  0.792222100000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.271700180000000,  0.792222100000000,  0.975200880000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.792222100000000,  0.271700180000000,  0.960876840000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.975200880000000,  0.960876840000000,  0.271700180000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.033914620000000,  0.216597140000000,  0.035833400000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.713654840000000,  0.035833400000000,  0.216597140000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.035833400000000,  0.713654840000000,  0.033914620000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.216597140000000,  0.033914620000000,  0.713654840000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.216085380000000,  0.033402860000000,  0.214166600000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.536345160000000,  0.214166600000000,  0.033402860000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.214166600000000,  0.536345160000000,  0.216085380000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.033402860000000,  0.216085380000000,  0.536345160000000 ]    mass: 32.065000  - symbol: S  # 25    coordinates: [  0.537082710000000,  0.712793830000000,  0.034107390000000 ]    mass: 32.065000  - symbol: S  # 26    coordinates: [  0.716016070000000,  0.034107390000000,  0.712793830000000 ]    mass: 32.065000  - symbol: S  # 27    coordinates: [  0.034107390000000,  0.716016070000000,  0.537082710000000 ]    mass: 32.065000  - symbol: S  # 28    coordinates: [  0.712793830000000,  0.537082710000000,  0.716016070000000 ]    mass: 32.065000  - symbol: S  # 29    coordinates: [  0.712917290000000,  0.537206170000000,  0.215892610000000 ]    mass: 32.065000  - symbol: S  # 30    coordinates: [  0.533983930000000,  0.215892610000000,  0.537206170000000 ]    mass: 32.065000  - symbol: S  # 31    coordinates: [  0.215892610000000,  0.533983930000000,  0.712917290000000 ]    mass: 32.065000  - symbol: S  # 32    coordinates: [  0.537206170000000,  0.712917290000000,  0.533983930000000 ]    mass: 32.065000  - symbol: Sr # 33    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 34    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 87.620000  - symbol: Sr # 35    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Sr # 36    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 37    coordinates: [  0.496883540000000,  0.003116460000000,  0.496883540000000 ]    mass: 87.620000  - symbol: Sr # 38    coordinates: [  0.003116460000000,  0.496883540000000,  0.003116460000000 ]    mass: 87.620000  - symbol: Sr # 39    coordinates: [  0.753116460000000,  0.246883540000000,  0.753116460000000 ]    mass: 87.620000  - symbol: Sr # 40    coordinates: [  0.246883540000000,  0.753116460000000,  0.246883540000000 ]    mass: 87.620000  - symbol: In # 41    coordinates: [  0.661804780000000,  0.980204740000000,  0.088411760000000 ]    mass: 114.818000  - symbol: In # 42    coordinates: [  0.269578720000000,  0.088411760000000,  0.980204740000000 ]    mass: 114.818000  - symbol: In # 43    coordinates: [  0.088411760000000,  0.269578720000000,  0.661804780000000 ]    mass: 114.818000  - symbol: In # 44    coordinates: [  0.980204740000000,  0.661804780000000,  0.269578720000000 ]    mass: 114.818000  - symbol: In # 45    coordinates: [  0.588195220000000,  0.269795260000000,  0.161588240000000 ]    mass: 114.818000  - symbol: In # 46    coordinates: [  0.980421280000000,  0.161588240000000,  0.269795260000000 ]    mass: 114.818000  - symbol: In # 47    coordinates: [  0.161588240000000,  0.980421280000000,  0.588195220000000 ]    mass: 114.818000  - symbol: In # 48    coordinates: [  0.269795260000000,  0.588195220000000,  0.980421280000000 ]    mass: 114.818000  - symbol: In # 49    coordinates: [  0.487808250000000,  0.238532430000000,  0.763684550000000 ]    mass: 114.818000  - symbol: In # 50    coordinates: [  0.509974770000000,  0.763684550000000,  0.238532430000000 ]    mass: 114.818000  - symbol: In # 51    coordinates: [  0.763684550000000,  0.509974770000000,  0.487808250000000 ]    mass: 114.818000  - symbol: In # 52    coordinates: [  0.238532430000000,  0.487808250000000,  0.509974770000000 ]    mass: 114.818000  - symbol: In # 53    coordinates: [  0.762191750000000,  0.011467570000000,  0.486315450000000 ]    mass: 114.818000  - symbol: In # 54    coordinates: [  0.740025230000000,  0.486315450000000,  0.011467570000000 ]    mass: 114.818000  - symbol: In # 55    coordinates: [  0.486315450000000,  0.740025230000000,  0.762191750000000 ]    mass: 114.818000  - symbol: In # 56    coordinates: [  0.011467570000000,  0.762191750000000,  0.740025230000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [    -0.077213043022422,     0.048034872610442,     0.047744129325997 ] # a*  - [     0.077213043022422,    -0.048034872610442,     0.047744129325997 ] # b*  - [     0.077213043022422,     0.048034872610442,    -0.047744129325997 ] # c*unit_cell:  lattice:  - [    12.951179760000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    20.818208640000002,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.944983480000001 ] # c  points:  - symbol: S  # 1    coordinates: [  0.143969240000000,  0.376469090000000,  0.713770260000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.643969240000000,  0.623530910000000,  0.786229740000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.856030760000000,  0.876469090000000,  0.786229740000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.856030760000000,  0.623530910000000,  0.713770260000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.606030760000000,  0.873530910000000,  0.036229740000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.106030760000000,  0.626469090000000,  0.963770260000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.893969240000000,  0.373530910000000,  0.963770260000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.893969240000000,  0.626469090000000,  0.036229740000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.866288510000000,  0.373450530000000,  0.781961140000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.366288510000000,  0.626549470000000,  0.718038860000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.133711490000000,  0.873450530000000,  0.718038860000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.133711490000000,  0.626549470000000,  0.781961140000000 ]    mass: 32.065000    reduced_to: 12  - symbol: S  # 13    coordinates: [  0.883711490000000,  0.876549470000000,  0.968038860000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.383711490000000,  0.623450530000000,  0.031961140000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 15    coordinates: [  0.616288510000000,  0.376549470000000,  0.031961140000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 16    coordinates: [  0.616288510000000,  0.623450530000000,  0.968038860000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 17    coordinates: [  0.126215270000000,  0.534874010000000,  0.625255880000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.626215270000000,  0.465125990000000,  0.874744120000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.873784730000000,  0.034874010000000,  0.874744120000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.873784730000000,  0.465125990000000,  0.625255880000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.623784730000000,  0.715125990000000,  0.124744120000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.123784730000000,  0.784874010000000,  0.875255880000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.876215270000000,  0.215125990000000,  0.875255880000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.876215270000000,  0.784874010000000,  0.124744120000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.373450610000000,  0.785595050000000,  0.124938270000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.873450610000000,  0.714404950000000,  0.875061730000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.626549390000000,  0.785595050000000,  0.875061730000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.626549390000000,  0.214404950000000,  0.124938270000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.376549390000000,  0.464404950000000,  0.625061730000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.876549390000000,  0.535595050000000,  0.874938270000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.123450610000000,  0.464404950000000,  0.874938270000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.123450610000000,  0.035595050000000,  0.625061730000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.143969240000000,  0.876469090000000,  0.213770260000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 34    coordinates: [  0.643969240000000,  0.123530910000000,  0.286229740000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 35    coordinates: [  0.856030760000000,  0.376469090000000,  0.286229740000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 36    coordinates: [  0.856030760000000,  0.123530910000000,  0.213770260000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 37    coordinates: [  0.606030760000000,  0.373530910000000,  0.536229740000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 38    coordinates: [  0.106030760000000,  0.126469090000000,  0.463770260000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 39    coordinates: [  0.893969240000000,  0.873530910000000,  0.463770260000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 40    coordinates: [  0.893969240000000,  0.126469090000000,  0.536229740000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 41    coordinates: [  0.866288510000000,  0.873450530000000,  0.281961140000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 42    coordinates: [  0.366288510000000,  0.126549470000000,  0.218038860000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 43    coordinates: [  0.133711490000000,  0.373450530000000,  0.218038860000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 44    coordinates: [  0.133711490000000,  0.126549470000000,  0.281961140000000 ]    mass: 32.065000    reduced_to: 12  - symbol: S  # 45    coordinates: [  0.883711490000000,  0.376549470000000,  0.468038860000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 46    coordinates: [  0.383711490000000,  0.123450530000000,  0.531961140000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 47    coordinates: [  0.616288510000000,  0.876549470000000,  0.531961140000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 48    coordinates: [  0.616288510000000,  0.123450530000000,  0.468038860000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 49    coordinates: [  0.126215270000000,  0.034874010000000,  0.125255880000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 50    coordinates: [  0.626215270000000,  0.965125990000000,  0.374744120000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 51    coordinates: [  0.873784730000000,  0.534874010000000,  0.374744120000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 52    coordinates: [  0.873784730000000,  0.965125990000000,  0.125255880000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 53    coordinates: [  0.623784730000000,  0.215125990000000,  0.624744120000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 54    coordinates: [  0.123784730000000,  0.284874010000000,  0.375255880000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 55    coordinates: [  0.876215270000000,  0.715125990000000,  0.375255880000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 56    coordinates: [  0.876215270000000,  0.284874010000000,  0.624744120000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 57    coordinates: [  0.373450610000000,  0.285595050000000,  0.624938270000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 58    coordinates: [  0.873450610000000,  0.214404950000000,  0.375061730000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 59    coordinates: [  0.626549390000000,  0.285595050000000,  0.375061730000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 60    coordinates: [  0.626549390000000,  0.714404950000000,  0.624938270000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 61    coordinates: [  0.376549390000000,  0.964404950000000,  0.125061730000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 62    coordinates: [  0.876549390000000,  0.035595050000000,  0.374938270000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 63    coordinates: [  0.123450610000000,  0.964404950000000,  0.374938270000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 64    coordinates: [  0.123450610000000,  0.535595050000000,  0.125061730000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 65    coordinates: [  0.643969240000000,  0.376469090000000,  0.213770260000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 66    coordinates: [  0.143969240000000,  0.623530910000000,  0.286229740000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 67    coordinates: [  0.356030760000000,  0.876469090000000,  0.286229740000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 68    coordinates: [  0.356030760000000,  0.623530910000000,  0.213770260000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 69    coordinates: [  0.106030760000000,  0.873530910000000,  0.536229740000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 70    coordinates: [  0.606030760000000,  0.626469090000000,  0.463770260000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 71    coordinates: [  0.393969240000000,  0.373530910000000,  0.463770260000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 72    coordinates: [  0.393969240000000,  0.626469090000000,  0.536229740000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 73    coordinates: [  0.366288510000000,  0.373450530000000,  0.281961140000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 74    coordinates: [  0.866288510000000,  0.626549470000000,  0.218038860000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 75    coordinates: [  0.633711490000000,  0.873450530000000,  0.218038860000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 76    coordinates: [  0.633711490000000,  0.626549470000000,  0.281961140000000 ]    mass: 32.065000    reduced_to: 12  - 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