# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/71a2d749-b989-4637-9bbc-a836ef464ea1/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 NdTeF / P4/nmm (129) / materials id 12621](https://mdr.nims.go.jp/datasets/e432e8bd-3032-4042-a4c5-e0fe31fd09ec) ## Fulltext elements: [F, Te, Nd]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: [19.0, 127.6, 144.2]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: [6.797088370077787e+00, 2.091216896499485e+01, -3.301546620730150e-02, 9.793762750584914e+01, 2.448891439061205e+01, 5.987324064137633e+03, 5.269242536421235e+04, -1.112854919042569e+05, 1.002061690359140e+03, 0.000000000000000e+00, -1.409283656769170e+04, 0.000000000000000e+00, 3.861940359821940e+06, -1.655113034704027e+01, -8.144903633066450e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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