# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1f593375-3e25-4309-a0d9-1298e3892e52/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 TbNbO4 / P2_1/c (14) / materials id 756852](https://mdr.nims.go.jp/datasets/4026eccc-66bd-4ffe-9af9-e4d05124ff50) ## Fulltext elements: [Tb, Nb, 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: [158.9, 92.91, 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: [-7.187528322759197e+03, 3.034512711286952e+02, 1.439875329850851e+00, 5.133287529100486e+02, 7.337434992390157e-01, 1.251432816114648e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.732293319401710e+06, 0.000000000000000e+00, -4.583713419200352e+04, 0.000000000000000e+00, 1.351306936616065e+05, 2.406355373322312e+02, -1.638432974116490e+02, -5.151151768611048e+02, 0.000000000000000e+00, 5.981531860251577e+05, 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