# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/26b9c44e-e0d9-4fe1-9e73-23534d2e97e8/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 NbInO4 / P2/c (13) / materials id 9595](https://mdr.nims.go.jp/datasets/ee833dbb-9961-40ec-97d9-147473d73583) ## Fulltext elements: [O, Nb, In]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, 114.8]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: [2.485099708461881e+00, 1.455415125796042e-01, 7.383342914798936e-01, 3.361810758444858e+02, 2.259313366085023e+03, 8.876588558870298e+00, -1.007101680251770e+04, 6.393094307984933e+02, -2.273055799834686e+03, 5.872505378907794e+01, -3.447772249352052e+02, 8.012072432786761e+03, 1.795090502093438e+05, 8.561882357035735e+01, 5.582181674333215e+05, -1.570814363405663e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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