# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/eccffc13-784e-4f23-9633-6818158ca967/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 F2 / C2/m (12) / materials id 561367](https://mdr.nims.go.jp/datasets/1be01590-47b7-47f7-ab21-5ae34884824b) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 2.787268495000000, -1.579841320000000, -0.187097755000000 ] # a - [ 2.787268495000000, 1.579841320000000, -0.187097755000000 ] # b - [ -2.035541630000000, 0.000000000000000, 6.877131830000000 ] # c points: - symbol: F # 1 coordinates: [ 0.499615840000000, 0.499615840000000, 0.598396260000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.911566920000000, 0.911566920000000, 0.901376120000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.500384160000000, 0.500384160000000, 0.401603740000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.088433080000000, 0.088433080000000, 0.098623880000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.183023475160938, -0.316487481160450, 0.054172569636107 ] # a* - [ 0.183023475160938, 0.316487481160450, 0.054172569636107 ] # b* - [ 0.009958593832833, 0.000000000000000, 0.148357070584612 ] # c*unit_cell: lattice: - [ 5.574536990000000, 0.000000000000000, -0.374195510000000 ] # a - [ 0.000000000000000, 3.159682640000000, 0.000000000000000 ] # b - 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