# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b9c0c33f-cf22-49db-ae7a-e6bf562eb4c8/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 558226](https://mdr.nims.go.jp/datasets/b9c5db08-7214-41ff-a6bc-4e46b71f30ca) ## 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: - [ 3.820784490000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.810032590000000, 0.000000000000000 ] # b - 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