# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f6be80a6-3e60-4e9b-8c3d-875eda61ceb8/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 K2Sn2Se5 / C2/c (15) / materials id 8966](https://mdr.nims.go.jp/datasets/7b6c0973-663c-404a-aa4b-8009c42d0979) ## 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/c" number: 15 Hall_symbol: "-C 2yc"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, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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[ 0.086847567429294, -0.121560626244753, 0.027845239074689 ] # a* - [ 0.086847567429294, 0.121560626244753, 0.027845239074689 ] # b* - [ 0.000051369749360, 0.000000000000000, 0.088311036192933 ] # c*unit_cell: lattice: - [ 11.516575160000000, 0.000000000000000, -0.006699090000000 ] # a - [ 0.000000000000000, 8.226347880000001, 0.000000000000000 ] # b - [ -3.631276480000000, 0.000000000000000, 11.325725309999999 ] # c points: - symbol: K # 1 coordinates: [ 0.234907260000000, 0.330672200000000, 0.320556230000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.765092740000000, 0.330672200000000, 0.179443770000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.765092740000000, 0.669327800000000, 0.679443770000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.234907260000000, 0.669327800000000, 0.820556230000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.734907260000000, 0.830672200000000, 0.320556230000000 ] mass: 39.098300 reduced_to: 1 - 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