# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d5263beb-d796-45c8-bc8c-75bdbecec75c/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 K3P2AuSe8 / Cc (9) / materials id 866660](https://mdr.nims.go.jp/datasets/be3a3b4d-775c-4fbe-9c16-d8980e3fa346) ## 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: "Cc" number: 9 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, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: P # 9 coordinates: [ 0.335620960000000, 0.786817000000000, 0.123470390000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.786817000000000, 0.335620960000000, 0.623470390000000 ] mass: 30.973762 - symbol: Au # 11 coordinates: [ 0.061278090000000, 0.949980310000000, 0.996883740000000 ] mass: 196.966569 - symbol: Au # 12 coordinates: [ 0.949980310000000, 0.061278090000000, 0.496883740000000 ] mass: 196.966569 - symbol: Se # 13 coordinates: [ 0.835547280000000, 0.529090980000000, 0.724269610000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.529090980000000, 0.835547280000000, 0.224269610000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.931006710000000, 0.904371850000000, 0.871826720000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.904371850000000, 0.931006710000000, 0.371826720000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.352084420000000, 0.639061280000000, 0.782229200000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.639061280000000, 0.352084420000000, 0.282229200000000 ] mass: 78.960000 - 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