# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5f4c8b09-d759-42f5-926b-b9979427f617/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 Al22PbO34 / P2_1/m (11) / materials id 530984](https://mdr.nims.go.jp/datasets/98ce23ea-e6d3-4799-b940-b7edf950c9be) ## 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: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.715091180000000, 0.000000000000000, 0.016366740000000 ] # a - [ 0.000000000000000, 11.230391940000001, 0.000000000000000 ] # b - 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symbol: Al # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.654690600000000, 0.875373850000000, 0.715116820000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.902118430000000, 0.999721070000000, 0.715344540000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.649901400000000, 0.999187530000000, 0.450234590000000 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.551568240000000, 0.998861690000000, 0.149392640000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.448431760000000, 0.001138310000000, 0.850607360000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.150901870000000, 0.623789070000000, 0.705535300000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.150901870000000, 0.876210930000000, 0.705535300000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.401980160000000, 0.750000000000000, 0.709716460000000 ] mass: 26.981539 reduced_to: 9 - 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