# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2336ace5-207e-43c8-a456-c1521b06ff8a/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 CdAg4Ge2S7 / Cc (9) / materials id 542200](https://mdr.nims.go.jp/datasets/8d2286b6-95cb-4289-bbcc-890acce3fad4) ## 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: "Cc" number: 9 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, 1 ]primitive_cell: lattice: - 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symbol: Cd # 9 coordinates: [ 0.677785360000000, 0.019621880000000, 0.286643440000000 ] mass: 112.411000 - symbol: Cd # 10 coordinates: [ 0.019621880000000, 0.677785360000000, 0.786643440000000 ] mass: 112.411000 - symbol: Ge # 11 coordinates: [ 0.256737460000000, 0.598280720000000, 0.170105420000000 ] mass: 72.640000 - symbol: Ge # 12 coordinates: [ 0.598280720000000, 0.256737460000000, 0.670105420000000 ] mass: 72.640000 - symbol: Ge # 13 coordinates: [ 0.315544560000000, 0.961559220000000, 0.242628420000000 ] mass: 72.640000 - symbol: Ge # 14 coordinates: [ 0.961559220000000, 0.315544560000000, 0.742628420000000 ] mass: 72.640000 - symbol: S # 15 coordinates: [ 0.863718190000000, 0.199695670000000, 0.593899830000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.199695670000000, 0.863718190000000, 0.093899830000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.035268700000000, 0.299434640000000, 0.290351910000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.299434640000000, 0.035268700000000, 0.790351910000000 ] mass: 32.065000 - 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