# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/69f189db-bc4b-4003-b845-1597a427a894/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 Na4Al3Ge3BrO12 / P-43n (218) / materials id 559084](https://mdr.nims.go.jp/datasets/be702674-f73d-4ed8-ab75-9f9cb611e460) ## 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: "P-43n" number: 218 Hall_symbol: "P -4n 2 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.115451900000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.115451900000000, 0.000000000000000 ] # b - 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symbol: Al # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Ge # 15 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 72.640000 - symbol: Ge # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 72.640000 - symbol: Ge # 17 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 72.640000 - symbol: Ge # 18 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 72.640000 - symbol: Ge # 19 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 72.640000 - 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