# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a3b48a9d-8851-458f-b147-ff823b17a595/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 Li8GeO6 / P6_3cm (185) / materials id 28548](https://mdr.nims.go.jp/datasets/e2468374-5566-4c95-921c-a0547aa9df05) ## 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: "P6_3cm" number: 185 Hall_symbol: "P 6c -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.473811560000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.736905780000000, 4.740459870000000, 0.000000000000000 ] # b - 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symbol: O # 30 coordinates: [ 0.692448480000000, 0.692448480000000, 0.047674030000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.182688057314125, 0.105474998989919, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.210949997979837, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.093497288458023 ] # c*unit_cell: lattice: - [ 5.473811560000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.736905780000000, 4.740459870000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.695497339999999 ] # c points: - symbol: Ge # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000566640000000 ] mass: 72.640000 reduced_to: 1 - symbol: Ge # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500566640000000 ] mass: 72.640000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.589921140000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.089921140000000 ] mass: 6.941000 reduced_to: 4 - 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