# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/667438b8-4445-446e-9551-78a4bdcf43d5/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 LaNb7O12 / P2_1/c (14) / materials id 29183](https://mdr.nims.go.jp/datasets/c7eb6325-b02d-48f4-8c7b-ed5ba32e77cd) ## Fulltext elements: [O, Nb, 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, 92.91, 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: 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: [9.998894030093934e+00, 4.091935594625423e-01, -2.367944144281219e-03, 5.445618221076049e+00, 1.532148305767712e+01, 8.586221877786298e+03, 1.332912093521113e+04, -1.356873255957014e+03, -6.416196245744809e+03, 3.376961742512383e+01, 3.972013083646696e+02, -1.278287002910431e+02, 5.281875069833582e+03, 2.825344595794357e+02, 8.121483482318564e+05, 0.000000000000000e+00, -2.696147261503255e+03, 4.592024366683874e+05, 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