# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8062d841-054e-4e77-ae88-9c14a79dba79/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 BaAsH3O5 / Pbca (61) / materials id 23806](https://mdr.nims.go.jp/datasets/a143ef41-0d37-4e0c-ba23-e4a68c7364dc) ## 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: "Pbca" number: 61 Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.864296100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.613469900000000, 0.000000000000000 ] # b - 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