# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dbcc2dd9-3860-420e-8ff3-ff3b71e88a59/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 Rb4SnS4 / P-43n (218) / materials id 30230](https://mdr.nims.go.jp/datasets/c5c01e18-23f3-47ce-bca3-ea48f90c1694) ## Fulltext elements: [S, Rb, Sn]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, 85.47, 118.7]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: [5.293162902010166e+02, -1.654317450752454e-01, 2.629584362451661e-01, -1.116851884653649e+03, -2.216514693832760e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.660321645002710e+06, -1.096497397606658e+06, -2.399547402236566e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.124581290326159e+02, 5.430314257067168e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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