# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e2216405-73d8-48fd-96d1-2b71ea544b31/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(GaS2)2 / Fddd (70) / materials id 14425](https://mdr.nims.go.jp/datasets/5a50be8b-83d3-4220-94f6-a657ccf14e15)

## 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,    10.184215690000000,    10.374080590000000 ] # a  - [     6.066539120000000,     0.000000000000000,    10.374080590000000 ] # b  - [     6.066539120000000,    10.184215690000000,     0.000000000000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.781018920000000,  0.471217860000000,  0.309628540000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.438134680000000,  0.309628540000000,  0.471217860000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.309628540000000,  0.438134680000000,  0.781018920000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.471217860000000,  0.781018920000000,  0.438134680000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.468981080000000,  0.778782140000000,  0.940371460000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.811865320000000,  0.940371460000000,  0.778782140000000 ]    mass: 32.065000  - symbol: S  # 7    coordinates: [  0.940371460000000,  0.811865320000000,  0.468981080000000 ]    mass: 32.065000  - symbol: S  # 8    coordinates: [  0.778782140000000,  0.468981080000000,  0.811865320000000 ]    mass: 32.065000  - symbol: S  # 9    coordinates: [  0.965484660000000,  0.282396020000000,  0.972881900000000 ]    mass: 32.065000  - symbol: S  # 10    coordinates: [  0.779237420000000,  0.972881900000000,  0.282396020000000 ]    mass: 32.065000  - symbol: S  # 11    coordinates: [  0.972881900000000,  0.779237420000000,  0.965484660000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.282396020000000,  0.965484660000000,  0.779237420000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.284515340000000,  0.967603980000000,  0.277118100000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.470762580000000,  0.277118100000000,  0.967603980000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.277118100000000,  0.470762580000000,  0.284515340000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.967603980000000,  0.284515340000000,  0.470762580000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.040499460000000,  0.542809860000000,  0.209595180000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.207095500000000,  0.209595180000000,  0.542809860000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.209595180000000,  0.207095500000000,  0.040499460000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.542809860000000,  0.040499460000000,  0.207095500000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.209500540000000,  0.707190140000000,  0.040404820000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.042904500000000,  0.040404820000000,  0.707190140000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.040404820000000,  0.042904500000000,  0.209500540000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.707190140000000,  0.209500540000000,  0.042904500000000 ]    mass: 32.065000  - symbol: S  # 25    coordinates: [  0.707037420000000,  0.208973460000000,  0.543662520000000 ]    mass: 32.065000  - symbol: S  # 26    coordinates: [  0.540326600000000,  0.543662520000000,  0.208973460000000 ]    mass: 32.065000  - symbol: S  # 27    coordinates: [  0.543662520000000,  0.540326600000000,  0.707037420000000 ]    mass: 32.065000  - symbol: S  # 28    coordinates: [  0.208973460000000,  0.707037420000000,  0.540326600000000 ]    mass: 32.065000  - symbol: S  # 29    coordinates: [  0.542962580000000,  0.041026540000000,  0.706337480000000 ]    mass: 32.065000  - symbol: S  # 30    coordinates: [  0.709673400000000,  0.706337480000000,  0.041026540000000 ]    mass: 32.065000  - symbol: S  # 31    coordinates: [  0.706337480000000,  0.709673400000000,  0.542962580000000 ]    mass: 32.065000  - symbol: S  # 32    coordinates: [  0.041026540000000,  0.542962580000000,  0.709673400000000 ]    mass: 32.065000  - symbol: Ga # 33    coordinates: [  0.489552000000000,  0.761580100000000,  0.236134760000000 ]    mass: 69.723000  - symbol: Ga # 34    coordinates: [  0.512733140000000,  0.236134760000000,  0.761580100000000 ]    mass: 69.723000  - symbol: Ga # 35    coordinates: [  0.236134760000000,  0.512733140000000,  0.489552000000000 ]    mass: 69.723000  - symbol: Ga # 36    coordinates: [  0.761580100000000,  0.489552000000000,  0.512733140000000 ]    mass: 69.723000  - symbol: Ga # 37    coordinates: [  0.760448000000000,  0.488419900000000,  0.013865240000000 ]    mass: 69.723000  - symbol: Ga # 38    coordinates: [  0.737266860000000,  0.013865240000000,  0.488419900000000 ]    mass: 69.723000  - symbol: Ga # 39    coordinates: [  0.013865240000000,  0.737266860000000,  0.760448000000000 ]    mass: 69.723000  - symbol: Ga # 40    coordinates: [  0.488419900000000,  0.760448000000000,  0.737266860000000 ]    mass: 69.723000  - symbol: Ga # 41    coordinates: [  0.264734370000000,  0.985734630000000,  0.593498390000000 ]    mass: 69.723000  - symbol: Ga # 42    coordinates: [  0.156032610000000,  0.593498390000000,  0.985734630000000 ]    mass: 69.723000  - symbol: Ga # 43    coordinates: [  0.593498390000000,  0.156032610000000,  0.264734370000000 ]    mass: 69.723000  - symbol: Ga # 44    coordinates: [  0.985734630000000,  0.264734370000000,  0.156032610000000 ]    mass: 69.723000  - symbol: Ga # 45    coordinates: [  0.985265630000000,  0.264265370000000,  0.656501610000000 ]    mass: 69.723000  - symbol: Ga # 46    coordinates: [  0.093967390000000,  0.656501610000000,  0.264265370000000 ]    mass: 69.723000  - symbol: Ga # 47    coordinates: [  0.656501610000000,  0.093967390000000,  0.985265630000000 ]    mass: 69.723000  - symbol: Ga # 48    coordinates: [  0.264265370000000,  0.985265630000000,  0.093967390000000 ]    mass: 69.723000  - symbol: Sr # 49    coordinates: [  0.001811040000000,  0.001811040000000,  0.498188960000000 ]    mass: 87.620000  - symbol: Sr # 50    coordinates: [  0.498188960000000,  0.498188960000000,  0.001811040000000 ]    mass: 87.620000  - symbol: Sr # 51    coordinates: [  0.248188960000000,  0.248188960000000,  0.751811040000000 ]    mass: 87.620000  - symbol: Sr # 52    coordinates: [  0.751811040000000,  0.751811040000000,  0.248188960000000 ]    mass: 87.620000  - symbol: Sr # 53    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Sr # 54    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 55    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 56    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [    -0.082419315215757,     0.049095582342286,     0.048197042201694 ] # a*  - [     0.082419315215757,    -0.049095582342286,     0.048197042201694 ] # b*  - [     0.082419315215757,     0.049095582342286,    -0.048197042201694 ] # c*unit_cell:  lattice:  - [    12.133078240000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    20.368431380000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.748161180000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.890423200000000,  0.045323730000000,  0.626118390000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.890423200000000,  0.454676270000000,  0.873881610000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.609576800000000,  0.045323730000000,  0.873881610000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.609576800000000,  0.454676270000000,  0.626118390000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.359576800000000,  0.704676270000000,  0.123881610000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.359576800000000,  0.295323730000000,  0.876118390000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 7    coordinates: [  0.640423200000000,  0.704676270000000,  0.876118390000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 8    coordinates: [  0.640423200000000,  0.295323730000000,  0.123881610000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 9    coordinates: [  0.627638960000000,  0.469183280000000,  0.123940340000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 10    coordinates: [  0.627638960000000,  0.530816720000000,  0.876059660000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.372361040000000,  0.469183280000000,  0.876059660000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.372361040000000,  0.530816720000000,  0.123940340000000 ]    mass: 32.065000    reduced_to: 12  - symbol: S  # 13    coordinates: [  0.622361040000000,  0.280816720000000,  0.626059660000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.622361040000000,  0.219183280000000,  0.873940340000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 15    coordinates: [  0.877638960000000,  0.280816720000000,  0.873940340000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 16    coordinates: [  0.877638960000000,  0.219183280000000,  0.626059660000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 17    coordinates: [  0.876202520000000,  0.125047320000000,  0.791654660000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.876202520000000,  0.374952680000000,  0.708345340000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.623797480000000,  0.125047320000000,  0.708345340000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.623797480000000,  0.374952680000000,  0.791654660000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.373797480000000,  0.624952680000000,  0.958345340000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.373797480000000,  0.375047320000000,  0.041654660000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.626202520000000,  0.624952680000000,  0.041654660000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.626202520000000,  0.375047320000000,  0.958345340000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 25    coordinates: [  0.376317990000000,  0.125349970000000,  0.958005440000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.876317990000000,  0.374650030000000,  0.041994560000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.623682010000000,  0.125349970000000,  0.041994560000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.123682010000000,  0.374650030000000,  0.958005440000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.873682010000000,  0.624650030000000,  0.791994560000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.373682010000000,  0.375349970000000,  0.708005440000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.626317990000000,  0.624650030000000,  0.708005440000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.126317990000000,  0.375349970000000,  0.791994560000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.890423200000000,  0.545323730000000,  0.126118390000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 34    coordinates: [  0.890423200000000,  0.954676270000000,  0.373881610000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 35    coordinates: [  0.609576800000000,  0.545323730000000,  0.373881610000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 36    coordinates: [  0.609576800000000,  0.954676270000000,  0.126118390000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 37    coordinates: [  0.359576800000000,  0.204676270000000,  0.623881610000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 38    coordinates: [  0.359576800000000,  0.795323730000000,  0.376118390000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 39    coordinates: [  0.640423200000000,  0.204676270000000,  0.376118390000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 40    coordinates: [  0.640423200000000,  0.795323730000000,  0.623881610000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 41    coordinates: [  0.627638960000000,  0.969183280000000,  0.623940340000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 42    coordinates: [  0.627638960000000,  0.030816720000000,  0.376059660000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 43    coordinates: [  0.372361040000000,  0.969183280000000,  0.376059660000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 44    coordinates: [  0.372361040000000,  0.030816720000000,  0.623940340000000 ]    mass: 32.065000    reduced_to: 12  - symbol: S  # 45    coordinates: [  0.622361040000000,  0.780816720000000,  0.126059660000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 46    coordinates: [  0.622361040000000,  0.719183280000000,  0.373940340000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 47    coordinates: [  0.877638960000000,  0.780816720000000,  0.373940340000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 48    coordinates: [  0.877638960000000,  0.719183280000000,  0.126059660000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 49    coordinates: [  0.876202520000000,  0.625047320000000,  0.291654660000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 50    coordinates: [  0.876202520000000,  0.874952680000000,  0.208345340000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 51    coordinates: [  0.623797480000000,  0.625047320000000,  0.208345340000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 52    coordinates: [  0.623797480000000,  0.874952680000000,  0.291654660000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 53    coordinates: [  0.373797480000000,  0.124952680000000,  0.458345340000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 54    coordinates: [  0.373797480000000,  0.875047320000000,  0.541654660000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 55    coordinates: [  0.626202520000000,  0.124952680000000,  0.541654660000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 56    coordinates: [  0.626202520000000,  0.875047320000000,  0.458345340000000 ]    mass: 32.065000    reduced_to: 24  - symbol: S  # 57    coordinates: [  0.376317990000000,  0.625349970000000,  0.458005440000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 58    coordinates: [  0.876317990000000,  0.874650030000000,  0.541994560000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 59    coordinates: [  0.623682010000000,  0.625349970000000,  0.541994560000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 60    coordinates: [  0.123682010000000,  0.874650030000000,  0.458005440000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 61    coordinates: [  0.873682010000000,  0.124650030000000,  0.291994560000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 62    coordinates: [  0.373682010000000,  0.875349970000000,  0.208005440000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 63    coordinates: [  0.626317990000000,  0.124650030000000,  0.208005440000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 64    coordinates: [  0.126317990000000,  0.875349970000000,  0.291994560000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 65    coordinates: [  0.390423200000000,  0.045323730000000,  0.126118390000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 66    coordinates: [  0.390423200000000,  0.454676270000000,  0.373881610000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 67    coordinates: [  0.109576800000000,  0.045323730000000,  0.373881610000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 68    coordinates: [  0.109576800000000,  0.454676270000000,  0.126118390000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 69    coordinates: [  0.859576800000000,  0.704676270000000,  0.623881610000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 70    coordinates: [  0.859576800000000,  0.295323730000000,  0.376118390000000 ]    mass: 32.065000    reduced_to: 6  - symbol: S  # 71    coordinates: [  0.140423200000000,  0.704676270000000,  0.376118390000000 ]    mass: 32.065000    reduced_to: 7  - symbol: S  # 72    coordinates: [  0.140423200000000,  0.295323730000000,  0.623881610000000 ]    mass: 32.065000    reduced_to: 8  - symbol: S  # 73    coordinates: [  0.127638960000000,  0.469183280000000,  0.623940340000000 ]    mass: 32.065000    reduced_to: 9  - symbol: S  # 74    coordinates: [  0.127638960000000,  0.530816720000000,  0.376059660000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 75    coordinates: [  0.872361040000000,  0.469183280000000,  0.376059660000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 76    coordinates: [  0.872361040000000,  0.530816720000000,  0.623940340000000 ]    mass: 32.065000    reduced_to: 12  - 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