# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/763893ca-58de-4499-93ed-5087d459bcb0/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 Ta2PbO6 / Pbcn (60) / materials id 771771](https://mdr.nims.go.jp/datasets/15d07309-d9c4-44e0-9f30-8b9caa0e1b34) ## Fulltext elements: [Ta, Pb, O]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: [180.9, 207.2, 16.0]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: [1.097210692321335e+03, 8.083894876391685e+03, 3.403530933167175e-01, -2.820293552071844e+03, 9.809189338061743e-01, 1.390400124265684e+01, 0.000000000000000e+00, 0.000000000000000e+00, 8.022507931402224e+04, 0.000000000000000e+00, 2.752660525942020e+06, 0.000000000000000e+00, 3.498530689725358e+07, 3.535534232379097e+01, -1.971313521466914e+03, 5.723204138459158e+03, 0.000000000000000e+00, -4.204547677351247e+06, 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