# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cc43a208-ba4a-4b80-bd99-a6834f5ffa14/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 Ba4Ta2O9 / P-3c1 (165) / materials id 769394](https://mdr.nims.go.jp/datasets/e66d890a-26ad-49bf-8911-ff0fb033d237) ## 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-3c1" number: 165 Hall_symbol: "-P 3 2\"c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.189083190000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.094541610000000, 5.359903280000000, 0.000000000000000 ] # b - 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