# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e9dbcf17-d103-425a-a066-228c71b4e786/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 Re3(SeBr)7 / P31c (159) / materials id 680015](https://mdr.nims.go.jp/datasets/1dbee289-face-481a-b4a6-ece0a785069c) ## 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: "P31c" number: 159 Hall_symbol: "P 3 -2c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.605702089999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.802851040000000, 8.318782020000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 23.072763349999999 ] # c points: - symbol: Re # 1 coordinates: [ 0.848536380000000, 0.022962670000000, 0.423189900000000 ] mass: 186.207000 - symbol: Re # 2 coordinates: [ 0.640170300000000, 0.483143540000000, 0.657566290000000 ] mass: 186.207000 - symbol: Re # 3 coordinates: [ 0.483143540000000, 0.640170300000000, 0.157566290000000 ] mass: 186.207000 - symbol: Re # 4 coordinates: [ 0.151463620000000, 0.174426290000000, 0.923189900000000 ] mass: 186.207000 - symbol: Re # 5 coordinates: [ 0.977037330000000, 0.825573710000000, 0.423189900000000 ] mass: 186.207000 - symbol: Re # 6 coordinates: [ 0.157026740000000, 0.516856460000000, 0.157566290000000 ] mass: 186.207000 - symbol: Re # 7 coordinates: [ 0.174426290000000, 0.151463620000000, 0.423189900000000 ] mass: 186.207000 - symbol: Re # 8 coordinates: [ 0.825573710000000, 0.977037330000000, 0.923189900000000 ] mass: 186.207000 - symbol: Re # 9 coordinates: [ 0.022962670000000, 0.848536380000000, 0.923189900000000 ] mass: 186.207000 - 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