# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a05d7146-a254-47cf-bb56-9681a05081da/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 CaTaF7 / P2_1/c (14) / materials id 558235](https://mdr.nims.go.jp/datasets/cf67d507-8d4f-45ea-af08-f33082051f4c) ## 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, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 13.349801780000000, 0.000000000000000, 0.017450040000000 ] # a - [ 0.000000000000000, 11.643696930000001, 0.000000000000000 ] # b - 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symbol: Ca # 10 coordinates: [ 0.460242620000000, 0.899328730000000, 0.736992480000000 ] mass: 40.078000 - symbol: Ca # 11 coordinates: [ 0.833632210000000, 0.904397500000000, 0.422850060000000 ] mass: 40.078000 - symbol: Ca # 12 coordinates: [ 0.166367790000000, 0.095602500000000, 0.577149940000000 ] mass: 40.078000 - symbol: Ta # 13 coordinates: [ 0.653097010000000, 0.852854020000000, 0.080749240000000 ] mass: 180.947880 - symbol: Ta # 14 coordinates: [ 0.323110010000000, 0.881024160000000, 0.409882460000000 ] mass: 180.947880 - symbol: Ta # 15 coordinates: [ 0.676889990000000, 0.381024160000000, 0.090117540000000 ] mass: 180.947880 - symbol: Ta # 16 coordinates: [ 0.323110010000000, 0.618975840000000, 0.909882460000000 ] mass: 180.947880 - symbol: Ta # 17 coordinates: [ 0.985490360000000, 0.353301330000000, 0.739766340000000 ] mass: 180.947880 - symbol: Ta # 18 coordinates: [ 0.014509640000000, 0.853301330000000, 0.760233660000000 ] mass: 180.947880 - symbol: Ta # 19 coordinates: [ 0.346902990000000, 0.147145980000000, 0.919250760000000 ] mass: 180.947880 - 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