# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b19cc353-91fc-4e52-a28f-4fa87d537fe8/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 BaZnCO3F2 / P6_3/m (176) / materials id 11166](https://mdr.nims.go.jp/datasets/639da3d6-8a9e-461c-9708-6f4ec54214f5) ## 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:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.848323700000000, 0.000000010000000, 0.000000000000000 ] # a - [ -2.424161860000000, 4.198771480000000, 0.000000000000000 ] # b - 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