# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/35316051-1b71-4e96-a8b4-5e537010dc27/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 Ca3BN3 / P4/mmm (123) / materials id 30315](https://mdr.nims.go.jp/datasets/230bec47-b215-4b20-83a4-7fb8316ebae0) ## Fulltext elements: [B, N, Ca]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, 40.08]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: [-7.655200532007170e+02, -1.085808503686799e-03, 3.006515155926743e+00, 1.322502392737498e+00, 6.880851445821858e-01, 9.897021811012631e+01, 0.000000000000000e+00, -4.859741880090458e+03, 0.000000000000000e+00, 3.216505428546206e-01, -5.103334828453362e+01, 1.107166990413339e+01, 6.916429352670242e+00, -2.609067098433904e+04, 2.419369821793858e+04, 0.000000000000000e+00, 2.339359080498981e+03, 7.711500962409499e+02, 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