# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/33febd66-489c-491a-8e1a-0b744012089b/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 Pr3Nb(Cl3O2)2 / P6_3/m (176) / materials id 560873](https://mdr.nims.go.jp/datasets/7b1f994e-9cac-4f79-9865-44e596f517c4) ## 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: "P6_3/m" number: 176 Hall_symbol: "-P 6c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 4 ]primitive_cell: lattice: - [ 12.646629230000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.323314610000000, 10.952302180000000, 0.000000000000000 ] # b - 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