# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a19c62ac-2769-4fa0-9115-cd24cbf340c4/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 LuNbO4 / C2/c (15) / materials id 644492](https://mdr.nims.go.jp/datasets/39e5408d-3527-4540-bc27-208a99d6c140) ## Fulltext elements: [Lu, 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: [175.0, 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: [5.416763248691040e+03, 9.365642643927411e+02, 5.001036544599236e-01, 5.895374481404434e+02, 4.305470970174707e-01, 9.047954973113905e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.210891623185074e+04, 0.000000000000000e+00, 7.535473748400375e+05, 0.000000000000000e+00, 2.151371858685350e+05, 1.397374262439471e+02, 3.272743760589957e+02, 2.704761211078463e+02, 0.000000000000000e+00, 1.661296067561251e+04, 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