# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/779601fd-f2a9-46ed-89d7-572625690f7d/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 NaSb5O13 / Ama2 (40) / materials id 766341](https://mdr.nims.go.jp/datasets/9282e9d2-15b6-4183-a955-8e8bd313b36b) ## 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: "Ama2" number: 40 Hall_symbol: "A 2 -2a"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.500000000000000, -0.500000000000000 ]- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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[ 0.000000000000000, 8.954129370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.616138790000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.250000000000000, 0.126742560000000, 0.001426500000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.750000000000000, 0.873257440000000, 0.001426500000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.250000000000000, 0.626742560000000, 0.501426500000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.750000000000000, 0.373257440000000, 0.501426500000000 ] mass: 22.989769 reduced_to: 2 - symbol: Sb # 5 coordinates: [ 0.579773380000000, 0.614725470000000, 0.001451300000000 ] mass: 121.760000 reduced_to: 5 - symbol: Sb # 6 coordinates: [ 0.420226620000000, 0.385274530000000, 0.001451300000000 ] mass: 121.760000 reduced_to: 6 - symbol: Sb # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.501453270000000 ] mass: 121.760000 reduced_to: 7 - symbol: Sb # 8 coordinates: [ 0.920226620000000, 0.614725470000000, 0.001451300000000 ] mass: 121.760000 reduced_to: 8 - 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