# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2291d2c9-d2f4-49e0-b61a-1dc608954846/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 Ba4LiTa3O12 / P6_3mc (186) / materials id 16792](https://mdr.nims.go.jp/datasets/ec29d1b0-579f-4c82-9c86-3f129c036f55) ## 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: "P6_3mc" number: 186 Hall_symbol: "P 6c -2c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.780846350000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.890423170000000, 5.006359800000000, 0.000000000000000 ] # b - 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