# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0a360999-e8f2-4c23-8f4f-904bd7d65bf8/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 Th(PS3)2 / P4_2/m (84) / materials id 14249](https://mdr.nims.go.jp/datasets/c63e2dd7-850e-4fd1-ae1a-b490cb91583c) ## 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: "P4_2/m" number: 84 Hall_symbol: "-P 4c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.935088900000000, -0.000000020000000, 0.000000000000000 ] # a - [ 0.000000020000000, 6.935088900000000, 0.000000000000000 ] # b - 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