# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/926e5f68-dfed-4fb4-9721-a22c5e1e0c5e/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 CaAl2O4 / P2_1/c (14) / materials id 14600](https://mdr.nims.go.jp/datasets/bf47481c-d0a5-4e6c-820c-e0e8d4548b45) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.898890190000000, 0.000000000000000, -0.002002450000000 ] # a - [ 0.000000000000000, 8.598144310000000, 0.000000000000000 ] # b - 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