# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3cb9e5e2-7c5e-4f1f-bcd1-2c23a011bea7/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 Na4Bi2C4SO16 / F222 (22) / materials id 768257](https://mdr.nims.go.jp/datasets/780ba29d-32be-465e-8a15-51325809ddf9) ## 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: "F222" number: 22 Hall_symbol: "F 2 2"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: Bi # 9 coordinates: [ 0.367997150000000, 0.377304870000000, 0.385184330000000 ] mass: 208.980400 - symbol: Bi # 10 coordinates: [ 0.869513650000000, 0.385184330000000, 0.377304870000000 ] mass: 208.980400 - symbol: Bi # 11 coordinates: [ 0.385184330000000, 0.869513650000000, 0.367997150000000 ] mass: 208.980400 - symbol: Bi # 12 coordinates: [ 0.377304870000000, 0.367997150000000, 0.869513650000000 ] mass: 208.980400 - symbol: C # 13 coordinates: [ 0.156454930000000, 0.526310030000000, 0.155625890000000 ] mass: 12.010700 - symbol: C # 14 coordinates: [ 0.608955630000000, 0.582968330000000, 0.197625210000000 ] mass: 12.010700 - symbol: C # 15 coordinates: [ 0.197625210000000, 0.610450830000000, 0.608955630000000 ] mass: 12.010700 - symbol: C # 16 coordinates: [ 0.582968330000000, 0.608955630000000, 0.610450830000000 ] mass: 12.010700 - symbol: C # 17 coordinates: [ 0.526310030000000, 0.156454930000000, 0.161609150000000 ] mass: 12.010700 - symbol: C # 18 coordinates: [ 0.155625890000000, 0.161609150000000, 0.156454930000000 ] mass: 12.010700 - 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