# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bbd6b543-a011-4890-bbe4-4b77e60620fe/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 RbNb2PS10 / Pc (7) / materials id 6708](https://mdr.nims.go.jp/datasets/a15912b3-217f-4a5d-9a44-6124f0de6ad4) ## 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: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.194269650000000, 0.000000000000000, 0.043095860000000 ] # a - [ 0.000000000000000, 7.547536060000000, 0.000000000000000 ] # b - 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[ 0.188306590000000, 0.035794990000000, -0.031406740000000 ] - [ 0.214434460000000, -0.060219230000000, -0.167636970000000 ]- # 11 (S) - [ -0.189179070000000, -0.597745080000000, -0.194949550000000 ] - [ -0.146757070000000, -0.294797760000000, 0.223302460000000 ] - [ -0.202822950000000, -0.203940760000000, -0.597785890000000 ]- # 12 (S) - [ -0.189179070000000, 0.597745080000000, -0.194949550000000 ] - [ 0.146757070000000, -0.294797760000000, -0.223302460000000 ] - [ -0.202822950000000, 0.203940760000000, -0.597785890000000 ]- # 13 (S) - [ -0.562473760000000, 0.475679060000000, 0.130140560000000 ] - [ -0.135460840000000, 0.029961900000000, 0.459551550000000 ] - [ 0.188644780000000, 0.391009700000000, -0.158687780000000 ]- # 14 (S) - [ -0.562473760000000, -0.475679060000000, 0.130140560000000 ] - [ 0.135460840000000, 0.029961900000000, -0.459551550000000 ] - [ 0.188644780000000, -0.391009700000000, -0.158687780000000 ]- # 15 (S) - [ 0.329158900000000, 0.608255640000000, 0.377205170000000 ] - 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