# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3b87994b-c530-4f4c-8900-f105d327ed0e/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 Sb8Pb7S19 / C2/c (15) / materials id 641987](https://mdr.nims.go.jp/datasets/516fd49f-f75a-41c3-b2fd-aa06c22b8e1d) ## 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, 1 ]primitive_cell: lattice: - 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[ 0.074072955216642, -0.085161571808498, 0.002010430426829 ] # a* - [ 0.074072955216642, 0.085161571808498, 0.002010430426829 ] # b* - [ -0.000559669564227, 0.000000000000000, 0.047384142951374 ] # c*unit_cell: lattice: - [ 13.495877490000000, 0.000000000000000, 0.159404210000000 ] # a - [ 0.000000000000000, 11.742385430000001, 0.000000000000000 ] # b - [ -0.572607650000000, 0.000000000000000, 21.097343259999999 ] # c points: - symbol: Sb # 1 coordinates: [ 0.589808120000000, 0.307847700000000, 0.324843830000000 ] mass: 121.760000 reduced_to: 1 - symbol: Sb # 2 coordinates: [ 0.125965890000000, 0.097026420000000, 0.998519580000000 ] mass: 121.760000 reduced_to: 2 - symbol: Sb # 3 coordinates: [ 0.649163710000000, 0.880144040000000, 0.101301960000000 ] mass: 121.760000 reduced_to: 3 - symbol: Sb # 4 coordinates: [ 0.350836290000000, 0.880144040000000, 0.398698040000000 ] mass: 121.760000 reduced_to: 4 - symbol: Sb # 5 coordinates: [ 0.612667150000000, 0.982703060000000, 0.449500070000000 ] mass: 121.760000 reduced_to: 5 - 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