# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0844c6d3-78ce-4e72-9ea2-eaadfdbb86fc/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 Ca(BO2)2 / Pbcn (60) / materials id 3417](https://mdr.nims.go.jp/datasets/af275fd6-3fee-4fdf-8b6f-3a8b59474b63) ## 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: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 11.555274750000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.291154040000000, 0.000000000000000 ] # b - 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