# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/92aee088-ed70-46e8-94f0-ccbcced6392c/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 ZrO2 / P4_2/nmc (137) / materials id 2574](https://mdr.nims.go.jp/datasets/c83522d9-dd7e-4f0c-991c-f8e4c90cf312) ## 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: "P4_2/nmc" number: 137 Hall_symbol: "P 4n 2n -1n"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.586880370000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.586880370000000, 0.000000000000000 ] # b - 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