# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0d36dd9e-2872-4f82-9383-e17e3a462ab7/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 775938](https://mdr.nims.go.jp/datasets/5ae74bbf-3f89-4c45-b9d0-0df35182d6fe) ## 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: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.540166780000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.509565350000000, 0.000000000000000 ] # b - 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