# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/421cf24a-09fa-42c9-af40-654ba470450a/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 RbCdF3 / Pm-3m (221) / materials id 6951](https://mdr.nims.go.jp/datasets/0e5de36d-856e-4a82-b6c7-b442eae31443) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pm-3m" number: 221 Hall_symbol: "-P 4 2 3"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 4.426211839999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.426211839999999, 0.000000000000000 ] # b - 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symbol: Cd # 127 coordinates: [ 0.166666666666667, 0.166666666666667, 0.833333333333333 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 128 coordinates: [ 0.500000000000000, 0.166666666666667, 0.833333333333333 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 129 coordinates: [ 0.833333333333333, 0.166666666666667, 0.833333333333333 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 130 coordinates: [ 0.166666666666667, 0.500000000000000, 0.833333333333333 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 131 coordinates: [ 0.500000000000000, 0.500000000000000, 0.833333333333333 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 132 coordinates: [ 0.833333333333333, 0.500000000000000, 0.833333333333333 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 133 coordinates: [ 0.166666666666667, 0.833333333333333, 0.833333333333333 ] mass: 112.411000 reduced_to: 109 - symbol: Cd # 134 coordinates: [ 0.500000000000000, 0.833333333333333, 0.833333333333333 ] mass: 112.411000 reduced_to: 109 - 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