# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/005a1595-4a68-493e-a0a7-8d1ce3dd3066/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 Ba3SrNb2O9 / P6_3/m (176) / materials id 540949](https://mdr.nims.go.jp/datasets/59be5976-ce35-4a35-beab-bf6c1a9289bd) ## 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: "P6_3/m" number: 176 Hall_symbol: "-P 6c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.069452930000000, 0.000000020000000, 0.000000000000000 ] # a - [ -3.034726490000000, 5.256300410000000, 0.000000000000000 ] # b - 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