# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4aad19b9-1143-4602-a543-9061572a5f55/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 H2O / P2_12_12_1 (19) / materials id 558958](https://mdr.nims.go.jp/datasets/32c317c0-48fd-46fa-8f38-6ed91d7a403d) ## 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_12_12_1" number: 19 Hall_symbol: "P 2ac 2ab"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.812699040000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.887890540000000, 0.000000000000000 ] # b - 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