# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7bcaf6a3-a92d-4aa6-a2f7-579f0c771f2b/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 Sr(PN2)2 / P6_3 (173) / materials id 645364](https://mdr.nims.go.jp/datasets/f95c403d-1f65-4114-a765-42e9af1091ec) ## 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: "P6_3" number: 173 Hall_symbol: "P 6c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 17.102327639999999, 0.000000430000000, 0.000000000000000 ] # a - [ -8.551163440000000, 14.811050379999999, 0.000000000000000 ] # b - 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[ -0.000000001697569, 0.067517155085378, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.123284736228627 ] # c*unit_cell: lattice: - [ 17.102327639999999, 0.000000430000000, 0.000000000000000 ] # a - [ -8.551163440000000, 14.811050379999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.111304210000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.846293870000000, 0.178418640000000, 0.320590880000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.666666670000000, 0.333333340000000, 0.296402360000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.332124770000000, 0.153706130000000, 0.320590870000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.522391230000000, 0.003586660000000, 0.827753200000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.477608770000000, 0.996413340000000, 0.327753200000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.351826250000000 ] mass: 87.620000 reduced_to: 6 - 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