# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/acc696dd-cb7e-4efb-ac04-1dd0fc824653/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 RbCu3S2 / C2/m (12) / materials id 10985](https://mdr.nims.go.jp/datasets/cdedc141-3ed3-4dfe-bd44-5ec1dc52928a) ## Fulltext elements: [S, Cu, Rb]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: [32.07, 63.55, 85.47]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: [3.847958953390113e+04, -3.086099173625881e-01, 7.718905841849879e+01, 1.524741740328043e+00, 4.771068868705081e+02, 3.480767185930292e+02, 0.000000000000000e+00, 5.386808218829432e+06, 0.000000000000000e+00, 3.632823345112826e+00, 1.089206663898313e+05, -1.458565770010311e+02, -4.892408405670439e+05, 1.944386296607167e+06, 0.000000000000000e+00, 0.000000000000000e+00, 7.283601981676768e+02, -3.681264630996176e+05, 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