# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/16fde082-b360-4039-aeeb-1da4621f352b/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 MgBeAl4O8 / P6_3mc (186) / materials id 554364](https://mdr.nims.go.jp/datasets/d2fd4646-a721-41e8-bf6e-aca34c1f2924) ## 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: "P6_3mc" number: 186 Hall_symbol: "P 6c -2c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.618647280000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.809323650000000, 4.865891280000000, 0.000000000000000 ] # b - 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symbol: Al # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312824940000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.836604380000000, 0.673208750000000, 0.686487670000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.498680660000000, 0.501319340000000, 0.437668060000000 ] mass: 26.981539 reduced_to: 16 - symbol: Al # 17 coordinates: [ 0.326791250000000, 0.163395620000000, 0.686487670000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.997361310000000, 0.498680660000000, 0.937668060000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 19 coordinates: [ 0.501319340000000, 0.002638690000000, 0.937668060000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.163395620000000, 0.836604380000000, 0.186487670000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.553728910000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.812824940000000 ] mass: 26.981539 reduced_to: 22 - 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