# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6b900e12-d212-41b3-b060-4877034d13ba/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 RbPt2Se3 / R-3m (166) / materials id 14797](https://mdr.nims.go.jp/datasets/f7f0aaad-b1ab-4980-8459-90e010a24685) ## Fulltext elements: [Se, Rb, Pt]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [78.96, 85.47, 195.1]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [8.351748106644125e+00, 8.769466862952441e+01, 6.379737863518732e-01, -4.014134328009630e+04, 1.781750181987212e+01, -3.149693030824551e+03, 4.256783022674797e+06, 0.000000000000000e+00, -2.106422390509428e+04, 0.000000000000000e+00, -6.618742014114422e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.651949523240204e+02, 3.634418744671901e+04, -2.707107019921154e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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