# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5e9f366f-6343-4a6d-84ef-376dba47ebda/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 RbAs / P2_12_12_1 (19) / materials id 10802](https://mdr.nims.go.jp/datasets/4a0b9d76-62f3-4aa4-905f-b075b29e09de) ## 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_12_12_1" number: 19 Hall_symbol: "P 2ac 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.599494400000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.917058940000000, 0.000000000000000 ] # b - 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[ 0.757449720000000, 0.268117710000000, -0.798111120000000 ]- # 9 (Rb) - [ 1.171692870000000, -0.017880610000000, 0.157372130000000 ] - [ -0.043554300000000, 1.378052450000000, -0.177002900000000 ] - [ -0.066873460000000, -0.144722220000000, 0.966323820000000 ]- # 10 (Rb) - [ 1.171692870000000, 0.017880610000000, -0.157372130000000 ] - [ 0.043554300000000, 1.378052450000000, -0.177002900000000 ] - [ 0.066873460000000, -0.144722220000000, 0.966323820000000 ]- # 11 (Rb) - [ 1.171692870000000, 0.017880610000000, 0.157372130000000 ] - [ 0.043554300000000, 1.378052450000000, 0.177002900000000 ] - [ -0.066873460000000, 0.144722220000000, 0.966323820000000 ]- # 12 (Rb) - [ 1.171692870000000, -0.017880610000000, -0.157372130000000 ] - [ -0.043554300000000, 1.378052450000000, 0.177002900000000 ] - [ 0.066873460000000, 0.144722220000000, 0.966323820000000 ]- # 13 (Rb) - [ 1.320291130000000, 0.047407180000000, -0.150890430000000 ] - [ 0.028955650000000, 0.944267380000000, -0.234189110000000 ] - [ 0.086029110000000, -0.189389280000000, 1.376200320000000 ]- # 14 (Rb) - 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