# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/18d275b9-2f50-4f24-b7c1-1e71ef1ec9dd/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 Sn2OF5 / C2/m (12) / materials id 29590](https://mdr.nims.go.jp/datasets/7b5d813d-ab56-4e58-a6b4-28926c44b8f3) ## 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: "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:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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symbol: Sn # 107 coordinates: [ 0.525987920000000, 0.250000000000000, 0.660919785000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 108 coordinates: [ 0.525987920000000, 0.750000000000000, 0.660919785000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 109 coordinates: [ 0.974012080000000, 0.000000000000000, 0.339080215000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 110 coordinates: [ 0.974012080000000, 0.500000000000000, 0.339080215000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 111 coordinates: [ 0.974012080000000, 0.000000000000000, 0.839080215000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 112 coordinates: [ 0.974012080000000, 0.500000000000000, 0.839080215000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 113 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 114 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 115 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 97 - 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