# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1960e655-b628-4c4d-b351-dd1cdca2ad0e/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 Na2Ge4O9 / P-3c1 (165) / materials id 558933](https://mdr.nims.go.jp/datasets/beb11aba-62de-4684-9f14-3ef3648417b4) ## 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: "P-3c1" number: 165 Hall_symbol: "-P 3 2\"c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 11.286609100000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.643304540000000, 9.774490200000001, 0.000000000000000 ] # b - 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symbol: O # 59 coordinates: [ 0.675516060000000, 0.774543040000000, 0.355931660000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.503116440000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.754381800000000, 0.488937900000000, 0.328806440000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.055371920000000, 0.154497710000000, 0.620438370000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.900973030000000, 0.675516060000000, 0.644068340000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.580706900000000, 0.405669530000000, 0.052832970000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.774543040000000, 0.099026970000000, 0.644068340000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.265443900000000, 0.754381800000000, 0.671193560000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.503116440000000, 0.503116440000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 67 - 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