# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0af4bc23-0aa2-42ca-bcd9-093575d294a9/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 Ba2YB2ClO6 / P2_1/m (11) / materials id 866310](https://mdr.nims.go.jp/datasets/7e12450f-8931-4a54-9d37-702943559916) ## 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: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.400164330000000, 0.000000000000000, -0.038159160000000 ] # a - [ 0.000000000000000, 5.291144810000000, 0.000000000000000 ] # b - 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