# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ec72bed7-1be9-417b-abe0-2ec6b91e3042/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 ZrFeCl6 / P-31c (163) / materials id 28208](https://mdr.nims.go.jp/datasets/bc9682a7-3107-4b4d-a641-dd87bd4900a4) ## 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-31c" number: 163 Hall_symbol: "-P 3 2c"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.840041579999999, 0.000000000000000, 0.000000000000000 ] # a - [ -2.920020780000000, 5.057624360000000, 0.000000000000000 ] # b - 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