# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/34402f5a-9de9-46dd-a88a-45f8901f1e92/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 Na7SnS3(O4F)3 / P6_3mc (186) / materials id 554294](https://mdr.nims.go.jp/datasets/dc4b3ff3-3bb3-4af0-b6a0-139bb8291d6d) ## 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_3mc" number: 186 Hall_symbol: "P 6c -2c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 10.772220980000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.386110510000000, 9.329017029999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.647604230000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.826592670000000, 0.653185350000000, 0.510916990000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.469135060000000, 0.938270120000000, 0.727294310000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.530864940000000, 0.469135060000000, 0.227294310000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.826592670000000, 0.173407330000000, 0.510916990000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.173407330000000, 0.346814650000000, 0.010916990000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.061729880000000, 0.530864940000000, 0.727294310000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.530864940000000, 0.061729880000000, 0.227294310000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.938270120000000, 0.469135060000000, 0.227294310000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.346814650000000, 0.173407330000000, 0.510916990000000 ] mass: 22.989769 - 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