# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8323b52c-cc2f-48ee-9c8e-c4285806f3bd/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 La2O3 / P-3m1 (164) / materials id 1968](https://mdr.nims.go.jp/datasets/6a5fc681-a744-4001-a208-19637bc8e71f) ## Fulltext elements: [O, La]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]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [9.643173363013341e+00, 2.806078404346865e+00, 1.408718282637226e+03, -1.391336477981944e+04, 5.952092095383594e+03, -7.339467376753514e+01, -2.073042501027092e+06, 0.000000000000000e+00, 3.919048276774304e+04, -1.269452760473649e+05, 6.113985533160840e+03, 2.020720069650622e+05, 0.000000000000000e+00, 6.030026331629551e+05, -2.956641302074508e+05, 1.608362978154558e+03, 4.475827145841071e+05, 0.000000000000000e+00, 2.485648771081681e+04, -1.878713034309960e+04, 1.774369032677822e+02, 4.444797790554597e+06, 0.000000000000000e+00, 1.619394358027784e+04, 1.141141352636177e+03, -2.943075237811621e+02, -7.028882903240608e+05, 0.000000000000000e+00, -5.439214083709499e+04, 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