# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8fc4110a-7e68-47f8-a9f4-4bdb4f4439a2/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 MgB9N / R-3m (166) / materials id 30091](https://mdr.nims.go.jp/datasets/57536cd1-82f5-44f1-af4d-92893a5b0904) ## Fulltext elements: [B, N, Mg]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: [10.81, 14.01, 24.31]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: [9.751874676151559e-02, -2.782476271215768e-02, 2.121250719261500e+00, -3.202862575570626e-01, 6.768627722517562e-02, 1.805672000659590e+01, 1.923583669853574e-01, 1.122649182585924e+00, -2.877149824447467e+02, 2.328796690013001e+00, 1.857466844049634e+02, -1.769533117193575e+03, -7.595878223794407e+00, 2.531473496760696e+03, 2.212215498938530e+02, -3.086500350621473e+04, 0.000000000000000e+00, 1.417458008770176e+05, 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