# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e4ee0f89-419d-4250-b040-789f3bdadbd5/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 BaTe2F10 / C2/c (15) / materials id 29177](https://mdr.nims.go.jp/datasets/cb9557ae-f28b-4c1f-8247-3d8034f9c463) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Ba # 7 coordinates: [ 0.500000000000000, 0.271067125000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.771067125000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Te # 9 coordinates: [ 0.838656530000000, 0.221916105000000, 0.930976120000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 10 coordinates: [ 0.838656530000000, 0.721916105000000, 0.930976120000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 11 coordinates: [ 0.661343470000000, 0.471916105000000, 0.569023880000000 ] mass: 127.600000 reduced_to: 11 - symbol: Te # 12 coordinates: [ 0.661343470000000, 0.971916105000000, 0.569023880000000 ] mass: 127.600000 reduced_to: 11 - symbol: Te # 13 coordinates: [ 0.661343470000000, 0.028083895000000, 0.069023880000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 14 coordinates: [ 0.661343470000000, 0.528083895000000, 0.069023880000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 15 coordinates: [ 0.838656530000000, 0.278083895000000, 0.430976120000000 ] mass: 127.600000 reduced_to: 15 - 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