# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/369a8f90-a5ea-46d7-b5d7-fbe4072ef9d5/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 Ba3BPO3 / P6_3/mmc (194) / materials id 9712](https://mdr.nims.go.jp/datasets/2ebc5477-bf43-4ef3-bb9f-c8db4d9adce9) ## 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/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.495583569999999, 0.000000000000000, 0.000000000000000 ] # a - [ -2.747791790000000, 4.759314990000000, 0.000000000000000 ] # b - 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