# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c04a695a-794a-4c88-b37c-70870dda6861/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 KBiF6 / P4_2/mcm (132) / materials id 557724](https://mdr.nims.go.jp/datasets/c950a746-7055-4801-a34e-bc09e4db8ece) ## 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: "P4_2/mcm" number: 132 Hall_symbol: "-P 4c 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.461047280000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.461047280000000, 0.000000000000000 ] # b - 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symbol: F # 108 coordinates: [ 0.905921885000000, 0.594078115000000, 0.178040885000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 109 coordinates: [ 0.405921885000000, 0.094078115000000, 0.678040885000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 110 coordinates: [ 0.905921885000000, 0.094078115000000, 0.678040885000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 111 coordinates: [ 0.405921885000000, 0.594078115000000, 0.678040885000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 112 coordinates: [ 0.905921885000000, 0.594078115000000, 0.678040885000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 113 coordinates: [ 0.131981380000000, 0.131981380000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 114 coordinates: [ 0.631981380000000, 0.131981380000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 115 coordinates: [ 0.131981380000000, 0.631981380000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 116 coordinates: [ 0.631981380000000, 0.631981380000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 113 - 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