# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0787ed14-00c2-4ec3-919d-d03f795c0450/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 Pb2S(O2F)2 / C2/c (15) / materials id 557531](https://mdr.nims.go.jp/datasets/5139eeef-d6eb-40b5-b961-a67cb7e1bfa3) ## 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, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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[ 0.070024779654729, -0.226564819829051, 0.022716921072885 ] # a* - [ 0.070024779654728, 0.226564819829051, 0.022716921072885 ] # b* - [ -0.000026912886936, -0.000000000000000, 0.122393284807301 ] # c*unit_cell: lattice: - [ 14.279640369999999, 0.000000000000000, 0.003139930000000 ] # a - [ 0.000000000000000, 4.413747910000000, 0.000000000000000 ] # b - [ -2.650386120000000, 0.000000000000000, 8.169800100000000 ] # c points: - symbol: Pb # 1 coordinates: [ 0.845211620000000, 0.513499560000000, 0.923969540000000 ] mass: 207.200000 reduced_to: 1 - symbol: Pb # 2 coordinates: [ 0.654788380000000, 0.986500440000000, 0.076030460000000 ] mass: 207.200000 reduced_to: 2 - symbol: Pb # 3 coordinates: [ 0.654788380000000, 0.013499560000000, 0.576030460000000 ] mass: 207.200000 reduced_to: 3 - symbol: Pb # 4 coordinates: [ 0.845211620000000, 0.486500440000000, 0.423969540000000 ] mass: 207.200000 reduced_to: 4 - symbol: Pb # 5 coordinates: [ 0.345211620000000, 0.013499560000000, 0.923969540000000 ] mass: 207.200000 reduced_to: 1 - 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