# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0102a72a-c248-4174-9092-5226e89c990a/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 SrSm2O4 / Fd-3m (227) / materials id 754942](https://mdr.nims.go.jp/datasets/6047d9fa-983d-41e5-bae7-41877843107c) ## 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: "Fd-3m" number: 227 Hall_symbol: "F 4d 2 3 -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: - 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symbol: O # 9 coordinates: [ 0.890447730000000, 0.328656810000000, 0.890447730000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.359552270000000, 0.359552270000000, 0.921343190000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.890447730000000, 0.890447730000000, 0.328656810000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.359552270000000, 0.921343190000000, 0.359552270000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.359552270000000, 0.359552270000000, 0.359552270000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.921343190000000, 0.359552270000000, 0.359552270000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.100535404716019, 0.100535404716019, 0.100535404716019 ] # a* - [ 0.100535404716019, -0.100535404716019, 0.100535404716019 ] # b* - [ 0.100535404716019, 0.100535404716019, -0.100535404716019 ] # c*unit_cell: lattice: - [ 9.946744660000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.946744660000000, 0.000000000000000 ] # b - 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