# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/75c3ac5c-c95d-4e97-8641-0d5c3bc55819/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 Ca2Nb2O7 / P2_1 (4) / materials id 13979](https://mdr.nims.go.jp/datasets/f21b03ac-75a0-45da-b0e6-af5889adf994) ## 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: "P2_1" number: 4 Hall_symbol: "P 2yb"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.692199550000000, 0.000000000000000, -0.001193430000000 ] # a - [ 0.000000000000000, 5.464231570000000, 0.000000000000000 ] # b - 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