# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f8917202-7ffc-431e-9029-21e683720003/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 TiO2 / Pbcn (60) / materials id 1439](https://mdr.nims.go.jp/datasets/70a8154d-0630-4cbf-ac08-c13abfcfe060) ## 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:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.544535210000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.503995650000000, 0.000000000000000 ] # b - 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