# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a9a41dcf-82c6-4c2a-996e-31e7aa3e4481/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 PICl6 / P-42_1m (113) / materials id 27824](https://mdr.nims.go.jp/datasets/1cf39f61-4940-4e4a-8586-260b3c2c1b8f) ## 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: "P-42_1m" number: 113 Hall_symbol: "P -4 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.622781850000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.622781850000001, 0.000000000000000 ] # b - 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