# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/47204d8b-16eb-44b3-a2b6-52e9b8171e27/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 Ba3Zn5In2O11 / F-43m (216) / materials id 560544](https://mdr.nims.go.jp/datasets/b9533acf-8262-4c74-809a-2d11e2013d18) ## 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: "F-43m" number: 216 Hall_symbol: "F -4 2 3"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Zn # 9 coordinates: [ 0.916900980000000, 0.916900980000000, 0.916900980000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.581975330000000, 0.918024670000000, 0.581975330000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.918024670000000, 0.581975330000000, 0.918024670000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.581975330000000, 0.918024670000000, 0.918024670000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.918024670000000, 0.918024670000000, 0.581975330000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.916900980000000, 0.916900980000000, 0.249297060000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.581975330000000, 0.581975330000000, 0.918024670000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.918024670000000, 0.581975330000000, 0.581975330000000 ] mass: 65.380000 - symbol: In # 17 coordinates: [ 0.165248520000000, 0.504254440000000, 0.165248520000000 ] mass: 114.818000 - symbol: In # 18 coordinates: [ 0.165248520000000, 0.165248520000000, 0.165248520000000 ] mass: 114.818000 - 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