# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0fe4b927-7da1-4fa2-9fbc-2c6dd28af91c/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 La4Te3N2 / Pnma (62) / materials id 641010](https://mdr.nims.go.jp/datasets/0f44877f-95af-4cd8-a9fc-7a7b369d5b88) ## Fulltext elements: [La, Te, N]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: [138.9, 127.6, 14.01]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: [9.633949234336253e+02, 1.901931917931323e+02, -2.730256694774444e-01, -2.455784187543515e+03, 2.806989206935066e+03, -1.909097220350970e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.633169191149158e+05, 7.918363446865624e+06, 6.912862249102237e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.355147208548372e+02, -1.738915043344754e+06, 4.396227470882934e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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