# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7fa5c72f-6ffc-43fb-a926-5c3817a907f6/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 PNCl2 / P4_2/n (86) / materials id 571213](https://mdr.nims.go.jp/datasets/cc6f1854-d58c-4bc9-bef8-ff513830bd1b) ## 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_2/n" number: 86 Hall_symbol: "P 4n -1n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 11.233881200000001, 0.000000030000000, 0.000000000000000 ] # a - [ -0.000000030000000, 11.233881200000001, 0.000000000000000 ] # b - 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