# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f5fb1b7b-7481-4ff9-80dd-5a40a926d599/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 Rb6Si2O7 / P2_1/c (14) / materials id 18483](https://mdr.nims.go.jp/datasets/4e19e97c-2045-4215-995d-9e5919ff5990) ## Fulltext elements: [O, Si, 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: [16.0, 28.09, 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: [3.931006752824158e+00, -4.229593117541326e-02, -7.406400642906315e+00, 1.920004929234566e+02, -5.679260082625995e+00, 4.165295376298332e+02, 3.724859225081725e+03, -4.434262284196353e+01, 1.315234060705984e+04, 2.252983971231155e+00, -1.475611799053570e+03, -1.303678437189037e+03, -9.252618466673366e+03, -1.570052205399027e+04, 3.960239578494177e+06, -5.373414673591309e+06, 0.000000000000000e+00, 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