# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/36b24ec0-6bf9-40f3-89dc-a48b2b49f482/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 BaNaAlF6 / Pna2_1 (33) / materials id 15515](https://mdr.nims.go.jp/datasets/7a168f70-71f0-4d56-a894-110b65828e2c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 18.608905360000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.425783840000000, 0.000000000000000 ] # b - 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