# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1bd85926-6ece-4419-b454-b6895ff718d7/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 Ca5P3ClO12 / P6_3/m (176) / materials id 554236](https://mdr.nims.go.jp/datasets/4bdcf273-e3cf-48b7-ad5a-a6920df38388) ## 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: "P6_3/m" number: 176 Hall_symbol: "-P 6c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.684970750000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.842485380000000, 8.387430690000000, 0.000000000000000 ] # b - 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