# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a5f20e7f-f6d6-4deb-a94a-08b8d940eeb4/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 BaB8O13 / P4_122 (91) / materials id 27794](https://mdr.nims.go.jp/datasets/ebc18319-332a-49eb-8a5d-fd3bfdf86212) ## 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: "P4_122" number: 91 Hall_symbol: "P 4w 2c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.686096950000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.686096950000000, 0.000000000000000 ] # b - 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