# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/806a8bff-755a-4c2c-9e8e-69cfe164762a/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 Ca6Si2H6O13 / P-3 (147) / materials id 697022](https://mdr.nims.go.jp/datasets/0d288215-72aa-4ac4-9417-a4b1a3e87c87) ## 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: "P-3" number: 147 Hall_symbol: "-P 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.941227639999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.970613810000000, 8.609355680000000, 0.000000000000000 ] # b - 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