# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2e0a8f3a-becf-4fea-bb7e-6abee27355c5/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 ZrS3 / P2_1/m (11) / materials id 9921](https://mdr.nims.go.jp/datasets/53ee46bf-c2a0-4fbb-9efa-552f7982166f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.083314710000000, 0.000000000000000, 0.000116300000000 ] # a - [ 0.000000000000000, 3.601140379999999, 0.000000000000000 ] # b - 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