# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c1ced25c-7ed3-4e8e-9734-536336dc7d47/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 CsBe2F5 / P4_132 (213) / materials id 27192](https://mdr.nims.go.jp/datasets/2f7a0727-edbe-41fa-8e8c-6762558b8079) ## 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: "P4_132" number: 213 Hall_symbol: "P 4bd 2ab 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.909571740000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.909571740000000, 0.000000000000000 ] # b - 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symbol: Be # 10 coordinates: [ 0.104095090000000, 0.895904910000000, 0.395904910000000 ] mass: 9.012182 - symbol: Be # 11 coordinates: [ 0.395904910000000, 0.104095090000000, 0.895904910000000 ] mass: 9.012182 - symbol: Be # 12 coordinates: [ 0.145904910000000, 0.145904910000000, 0.145904910000000 ] mass: 9.012182 - symbol: F # 13 coordinates: [ 0.495246760000000, 0.495246760000000, 0.495246760000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.745246760000000, 0.754753240000000, 0.245246760000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.245246760000000, 0.745246760000000, 0.754753240000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.754753240000000, 0.245246760000000, 0.745246760000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.004753240000000, 0.504753240000000, 0.995246760000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.995246760000000, 0.004753240000000, 0.504753240000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.504753240000000, 0.995246760000000, 0.004753240000000 ] mass: 18.998403 - 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