# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5dbb199e-6ae4-482b-a55c-23a18802f353/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 Sr5Al2F16 / Ccce (68) / materials id 29978](https://mdr.nims.go.jp/datasets/0872eba4-6516-4572-b616-8da8efbb3366) ## 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: "Ccce" number: 68 Hall_symbol: "C 2 2 -1bc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Sr # 79 coordinates: [ 0.750000000000000, 0.750000000000000, 0.128222290000000 ] mass: 87.620000 reduced_to: 79 - symbol: Sr # 80 coordinates: [ 0.750000000000000, 0.250000000000000, 0.871777710000000 ] mass: 87.620000 reduced_to: 80 - symbol: Sr # 81 coordinates: [ 0.750000000000000, 0.250000000000000, 0.371777710000000 ] mass: 87.620000 reduced_to: 81 - symbol: Sr # 82 coordinates: [ 0.750000000000000, 0.750000000000000, 0.628222290000000 ] mass: 87.620000 reduced_to: 82 - symbol: Sr # 83 coordinates: [ 0.500000000000000, 0.000000000000000, 0.217034160000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 84 coordinates: [ 0.500000000000000, 0.000000000000000, 0.782965840000000 ] mass: 87.620000 reduced_to: 74 - symbol: Sr # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.282965840000000 ] mass: 87.620000 reduced_to: 75 - symbol: Sr # 86 coordinates: [ 0.000000000000000, 0.000000000000000, 0.717034160000000 ] mass: 87.620000 reduced_to: 76 - symbol: Sr # 87 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 77 - 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