# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/92814e72-1420-465e-b18c-58e1e23f2896/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 BaH4O3 / Pmc2_1 (26) / materials id 23904](https://mdr.nims.go.jp/datasets/30a16f4b-3293-4599-9b75-287bb3ffd53d) ## 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: "Pmc2_1" number: 26 Hall_symbol: "P 2c -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.907616210000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.220175340000000, 0.000000000000000 ] # b - 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