# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9c0bd828-3591-44a9-8d39-077d69d8142c/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 Ca2Zr5Ti2O16 / Pbca (61) / materials id 667369](https://mdr.nims.go.jp/datasets/fbecc78f-a8d2-4b34-9422-59fe35718255) ## 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: "Pbca" number: 61 Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.108931170000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.178185070000000, 0.000000000000000 ] # b - 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