# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b2234cee-4d29-4f23-a23b-82d7e1c03ee0/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 RbBSe3 / P2_1/c (14) / materials id 10552](https://mdr.nims.go.jp/datasets/4cf711b6-ba28-4960-a216-85a992567322) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 7.269692730000000, 0.000000000000000, -0.045426800000000 ] # a - [ 0.000000000000000, 12.341975209999999, 0.000000000000000 ] # b - 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[ 0.349887790000000, 0.255721510000000, -1.860162730000000 ]- # 14 (Se) - [ -1.008947040000000, 0.298668920000000, 0.332344930000000 ] - [ 0.229397810000000, -0.806017620000000, -0.075417340000000 ] - [ 0.349887790000000, -0.255721510000000, -1.860162730000000 ]- # 15 (Se) - [ -1.008947040000000, -0.298668920000000, 0.332344930000000 ] - [ -0.229397810000000, -0.806017620000000, 0.075417340000000 ] - [ 0.349887790000000, 0.255721510000000, -1.860162730000000 ]- # 16 (Se) - [ -1.008947040000000, 0.298668920000000, 0.332344930000000 ] - [ 0.229397810000000, -0.806017620000000, -0.075417340000000 ] - [ 0.349887790000000, -0.255721510000000, -1.860162730000000 ]- # 17 (Rb) - [ 1.400768550000000, 0.076709300000000, -0.017044460000000 ] - [ 0.085370110000000, 1.438760390000000, -0.029281850000000 ] - [ 0.019584390000000, -0.086801020000000, 1.280546250000000 ]- # 18 (Rb) - [ 1.400768550000000, -0.076709300000000, -0.017044460000000 ] - [ -0.085370110000000, 1.438760390000000, 0.029281850000000 ] - 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