# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/815f249c-725d-4e6f-b0a5-98266ae39494/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 Na6Mg(SO4)4 / P2_1/c (14) / materials id 558427](https://mdr.nims.go.jp/datasets/6bfb55cf-d631-4719-ac25-33a2a3d2530f) ## 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/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.800975090000000, 0.000000000000000, 0.014151710000000 ] # a - [ 0.000000000000000, 9.189984290000000, 0.000000000000000 ] # b - 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[ 0.000000000000000, 9.189984290000000, 0.000000000000000 ] # b - [ -6.550544420000000, 0.000000000000000, 15.006119419999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.888813820000000, 0.863799750000000, 0.158740600000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.888813820000000, 0.863799750000000, 0.658740600000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.448226540000000, 0.848531570000000, 0.044035615000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.448226540000000, 0.848531570000000, 0.544035615000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.448226540000000, 0.651468430000000, 0.294035615000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.448226540000000, 0.651468430000000, 0.794035615000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.551773460000000, 0.151468430000000, 0.455964385000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.551773460000000, 0.151468430000000, 0.955964385000000 ] mass: 22.989769 reduced_to: 7 - 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