# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6160e17f-8390-4885-8be3-b7a751f29f83/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 BaTiO3 / P6_3/mmc (194) / materials id 5933](https://mdr.nims.go.jp/datasets/4fbda1ab-231f-42e9-89ef-994deb47706c) ## 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/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.712290790000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.856145390000000, 4.946988940000000, 0.000000000000000 ] # b - 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