# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/78169eea-7374-4a46-bbfa-7e02c615fdc2/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 Na3BN2 / P2_1/c (14) / materials id 28630](https://mdr.nims.go.jp/datasets/1b7649df-827d-4b13-bd66-8a5e7756355d) ## Fulltext elements: [B, N, Na]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, 22.99]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: [-3.765572221431432e+04, -1.473869717988979e-01, 4.077853567646817e+00, 2.968806119659261e+00, 2.671800785972474e-01, 1.289370914513233e+01, 0.000000000000000e+00, 2.682924592895727e+06, 0.000000000000000e+00, -2.353140015057501e-01, 3.992902858736720e+01, -2.065144676169987e+01, 1.472385750947004e+02, -2.034638060814118e+03, -3.150948832233520e+03, -6.101625496097804e+04, 4.093918623673171e+03, 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