# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0d745b2c-ad42-4e06-b923-517b2da5e0a9/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 Ca3Tl4O9 / P2_1/c (14) / materials id 765585](https://mdr.nims.go.jp/datasets/b430dc9a-ca85-49d8-86ed-13b8f57b5a30) ## 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_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.302412970000001, 0.000000000000000, -0.019579310000000 ] # a - [ 0.000000000000000, 6.653045840000000, 0.000000000000000 ] # b - 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