# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0db49a05-3a7b-48ba-ba95-a6c72ebc457e/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 CaSO4 / P6_422 (181) / materials id 556372](https://mdr.nims.go.jp/datasets/2a53f8a4-2551-4ad2-9d84-32f5db5966b8) ## 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: "P6_422" number: 181 Hall_symbol: "P 64 2c (0 0 -1)"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.959587170000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.479793580000000, 6.027179290000000, 0.000000000000000 ] # b - 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