# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0463f340-967f-4e06-b8f8-4afeb1ad330b/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 NaLuGeO4 / Pnma (62) / materials id 6712](https://mdr.nims.go.jp/datasets/a60add80-3d35-484b-80ac-1023d919b717) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 11.207126669999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.285974660000000, 0.000000000000000 ] # b - 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symbol: Ge # 93 coordinates: [ 0.400868700000000, 0.125000000000000, 0.024599420000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 94 coordinates: [ 0.400868700000000, 0.625000000000000, 0.024599420000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 95 coordinates: [ 0.400868700000000, 0.125000000000000, 0.524599420000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 96 coordinates: [ 0.400868700000000, 0.625000000000000, 0.524599420000000 ] mass: 72.640000 reduced_to: 93 - symbol: Lu # 97 coordinates: [ 0.223699380000000, 0.125000000000000, 0.245972520000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 98 coordinates: [ 0.223699380000000, 0.625000000000000, 0.245972520000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 99 coordinates: [ 0.223699380000000, 0.125000000000000, 0.745972520000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 100 coordinates: [ 0.223699380000000, 0.625000000000000, 0.745972520000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 101 coordinates: [ 0.276300620000000, 0.375000000000000, 0.495972520000000 ] mass: 174.966800 reduced_to: 101 - 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