# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/128a4383-87b0-48cb-83bd-b66caae6a435/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 Zr(IO3)4 / P4/n (85) / materials id 27437](https://mdr.nims.go.jp/datasets/ee7b1f1d-df84-4c6a-9ae8-a11a1ff81575) ## 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: "P4/n" number: 85 Hall_symbol: "P 4ab -1ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 8.349631080000000, -0.000000010000000, 0.000000000000000 ] # a - [ 0.000000010000000, 8.349631080000000, 0.000000000000000 ] # b - 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