# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ff72de59-a5fd-4cf3-b81a-c97d322c02c4/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 RbBiF6 / R-3 (148) / materials id 27421](https://mdr.nims.go.jp/datasets/ed6919e2-c48d-4b13-960d-58addb463aa6) ## 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: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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[ 0.128050004180322, 0.073929705601033, 0.127020285909403 ] # a* - [ -0.128050005126992, 0.073929703897027, 0.127020285909403 ] # b* - [ 0.000000000946670, -0.147859409498061, 0.127020285909403 ] # c*unit_cell: lattice: - [ 7.809449150000000, 0.000000050000000, 0.000000000000000 ] # a - [ -3.904724620000000, 6.763181320000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.872758220000000 ] # c points: - symbol: F # 1 coordinates: [ 0.940981700000000, 0.768773280000000, 0.844722620000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.231226720000000, 0.172208410000000, 0.844722620000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.505541740000000, 0.607648370000000, 0.821944040000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.102106610000000, 0.494458260000000, 0.821944040000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.392351630000000, 0.897893390000000, 0.821944040000000 ] mass: 18.998403 reduced_to: 5 - 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