# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7f8db1a6-d2e4-4f59-9987-bb3125ab9261/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 Mg3N2 / Ia-3 (206) / materials id 1559](https://mdr.nims.go.jp/datasets/5ccba798-53a0-4a9f-9c68-bf01f969eacc) ## 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: "Ia-3" number: 206 Hall_symbol: "-I 2b 2c 3"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -4.973437985000000, 4.973437985000000, 4.973437985000000 ] # a - [ 4.973437985000000, -4.973437985000000, 4.973437985000000 ] # b - [ 4.973437985000000, 4.973437985000000, -4.973437985000000 ] # c points: - symbol: N # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 14.006700 - symbol: N # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 14.006700 - symbol: N # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 14.006700 - symbol: N # 5 coordinates: [ 0.750000000000000, 0.468603790000000, 0.718603790000000 ] mass: 14.006700 - symbol: N # 6 coordinates: [ 0.468603790000000, 0.718603790000000, 0.750000000000000 ] mass: 14.006700 - symbol: N # 7 coordinates: [ 0.781396210000000, 0.250000000000000, 0.031396210000000 ] mass: 14.006700 - symbol: N # 8 coordinates: [ 0.031396210000000, 0.781396210000000, 0.250000000000000 ] mass: 14.006700 - 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