# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ccde07fd-8106-49c9-b981-7dc01f3ea26c/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 Hg(Mo3Cl7)2 / Pn-3 (201) / materials id 27779](https://mdr.nims.go.jp/datasets/4dd96a98-fe58-4a43-bba1-ca1c95db0be6) ## 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: "Pn-3" number: 201 Hall_symbol: "P 2 2 3 -1n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.750985800000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.750985800000000, 0.000000000000000 ] # b - 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