# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f4a31e69-4b63-436a-a485-081df564edfa/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 NaGe / P2_1/c (14) / materials id 29657](https://mdr.nims.go.jp/datasets/ccc11d09-7f15-43a2-b724-9248d7f0ecff) ## 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:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 11.822585100000000, 0.000000000000000, -0.118612470000000 ] # a - [ 0.000000000000000, 6.393137590000000, 0.000000000000000 ] # b - [ -5.062169600000000, 0.000000000000000, 10.303037180000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.861232570000000, 0.146656270000000, 0.953960860000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.138767430000000, 0.646656270000000, 0.546039140000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.138767430000000, 0.853343730000000, 0.046039140000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.861232570000000, 0.353343730000000, 0.453960860000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.596780210000000, 0.197124410000000, 0.114067160000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.403219790000000, 0.697124410000000, 0.385932840000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.403219790000000, 0.802875590000000, 0.885932840000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.596780210000000, 0.302875590000000, 0.614067160000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.614032560000000, 0.818502120000000, 0.736404940000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.385967440000000, 0.318502120000000, 0.763595060000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.385967440000000, 0.181497880000000, 0.263595060000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.614032560000000, 0.681497880000000, 0.236404940000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.907482140000000, 0.953635320000000, 0.261993590000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.092517860000000, 0.453635320000000, 0.238006410000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.092517860000000, 0.046364680000000, 0.738006410000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.907482140000000, 0.546364680000000, 0.761993590000000 ] mass: 22.989769 - symbol: Ge # 17 coordinates: [ 0.871224480000000, 0.662624620000000, 0.998174580000000 ] mass: 72.640000 - symbol: Ge # 18 coordinates: [ 0.128775520000000, 0.162624620000000, 0.501825420000000 ] mass: 72.640000 - symbol: Ge # 19 coordinates: [ 0.128775520000000, 0.337375380000000, 0.001825420000000 ] mass: 72.640000 - 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