# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/ec8ce32e-4430-4481-bcf5-fdf76b4bddbb/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 [First-principles lattice thermal conductivity calculation for CsIn5S8 / C2/m (12) / materials id 22007](https://mdr.nims.go.jp/datasets/3a05deb5-3aec-4da7-958c-8256c2d45f11) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.500618120376936, -1.929410385000000, 0.000000000000000 ] # a - 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[ 0.000000000000000, -3.110710470714286, 0.000000000000000 ] - [ 0.480990710714286, 0.000000000000000, -2.534518030000000 ] - # 8 (S) - [ -1.670255009285714, 0.000000000000000, -0.113689052857143 ] - [ 0.000000000000000, -2.489329810714286, 0.000000000000000 ] - [ -0.323841749285714, 0.000000000000000, -2.582709390000000 ] - # 9 (In) - [ 4.520054910714285, 0.000000000000000, 0.322948247142857 ] - [ 0.000000000000000, 4.123072549285714, 0.000000000000000 ] - [ 0.074476410714286, 0.000000000000000, 2.143756710000000 ] - # 10 (In) - [ 3.360679580714285, 0.000000000000000, 0.050874817142857 ] - [ 0.000000000000000, 3.819432399285715, 0.000000000000000 ] - [ -0.151494559285714, 0.000000000000000, 2.253813180000000 ] - # 11 (In) - [ 3.360679580714285, 0.000000000000000, 0.050874817142857 ] - [ 0.000000000000000, 3.819432399285715, 0.000000000000000 ] - [ -0.151494559285714, 0.000000000000000, 2.253813180000000 ] - # 12 (In) - [ 2.624986240714286, 0.000000000000000, 0.315159637142857 ] - [ 0.000000000000000, 4.129844819285714, 0.000000000000000 ] - 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