# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/398ebaa2-53b8-4fa2-a189-b1e7be2d1050/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 La6UO12 / R-3 (148) / materials id 19992](https://mdr.nims.go.jp/datasets/661b7f08-73e3-4735-b824-de9b9eb11b7b) ## Fulltext elements: [O, La, U]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, 138.9, 238.0]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: [1.019214960201142e+01, 4.260730993662361e+00, 2.428428802628248e-01, 5.068986357682393e+03, 2.044049881235326e+03, 0.000000000000000e+00, -4.687156965181453e+03, 9.530127696765867e+03, 4.063434346122835e+02, 3.976194899910796e+02, -1.993478999079359e+03, 7.028448721104081e+05, -3.692179316901891e+06, 2.971443497367359e+01, -1.937216544892042e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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