# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b3712588-c120-4122-8834-43556207d3d1/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 RbTlF4 / Pbcm (57) / materials id 27210](https://mdr.nims.go.jp/datasets/b8d701b4-a972-4a76-9fa8-0aaf4d18271f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pbcm" number: 57 Hall_symbol: "-P 2c 2b"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.262073350000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.314163770000000, 0.000000000000000 ] # b - 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[ -0.045094870000000, 1.209728580000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.244769750000000 ]- # 20 (Rb) - [ 1.403269740000000, -0.186805390000000, 0.000000000000000 ] - [ -0.045094870000000, 1.209728580000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.244769750000000 ]- # 21 (Tl) - [ 2.689820480000000, 0.034316600000000, -0.038309590000000 ] - [ 0.304529260000000, 3.286120770000000, -0.013891900000000 ] - [ 0.218758930000000, -0.059300340000000, 3.349802780000000 ]- # 22 (Tl) - [ 2.689820480000000, 0.034316600000000, 0.038309590000000 ] - [ 0.304529260000000, 3.286120770000000, 0.013891900000000 ] - [ -0.218758930000000, 0.059300340000000, 3.349802780000000 ]- # 23 (Tl) - [ 2.689820480000000, -0.034316600000000, 0.038309590000000 ] - [ -0.304529260000000, 3.286120770000000, -0.013891900000000 ] - [ -0.218758930000000, -0.059300340000000, 3.349802780000000 ]- # 24 (Tl) - [ 2.689820480000000, -0.034316600000000, -0.038309590000000 ] - [ -0.304529260000000, 3.286120770000000, 0.013891900000000 ] - 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