# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d39500d4-4413-4064-b4ce-a70e24523d51/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 ScCuSe2 / P2_1/c (14) / materials id 677055](https://mdr.nims.go.jp/datasets/52a0bfb6-6e01-427b-becb-7a072c7b6484) ## 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:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.095090230000000, 0.000000000000000, 0.038127600000000 ] # a - [ 0.000000000000000, 7.650476030000000, 0.000000000000000 ] # b - 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symbol: Sc # 32 coordinates: [ 0.997486005000000, 0.749976755000000, 0.236904890000000 ] mass: 44.955912 reduced_to: 29 - symbol: Cu # 33 coordinates: [ 0.166186745000000, 0.251863795000000, 0.100718390000000 ] mass: 63.546000 reduced_to: 33 - symbol: Cu # 34 coordinates: [ 0.666186745000000, 0.251863795000000, 0.100718390000000 ] mass: 63.546000 reduced_to: 33 - symbol: Cu # 35 coordinates: [ 0.166186745000000, 0.751863795000000, 0.100718390000000 ] mass: 63.546000 reduced_to: 33 - symbol: Cu # 36 coordinates: [ 0.666186745000000, 0.751863795000000, 0.100718390000000 ] mass: 63.546000 reduced_to: 33 - symbol: Cu # 37 coordinates: [ 0.413924355000000, 0.123912290000000, 0.349907340000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 38 coordinates: [ 0.913924355000000, 0.123912290000000, 0.349907340000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 39 coordinates: [ 0.413924355000000, 0.623912290000000, 0.349907340000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 40 coordinates: [ 0.913924355000000, 0.623912290000000, 0.349907340000000 ] mass: 63.546000 reduced_to: 37 - 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