# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/97cc8cda-fe81-412f-82d0-0e91133835fb/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 Li2CeN2 / P-3m1 (164) / materials id 8181](https://mdr.nims.go.jp/datasets/d3295489-5638-440f-ab93-edace04b6e0a) ## Fulltext elements: [Li, N, Ce]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: [6.941, 14.01, 140.1]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: [1.084665462725129e-01, 2.241508706967370e-02, 1.380297706230660e+00, 6.766617244237340e+00, -2.209700169670891e-03, 9.571438791394249e+01, 1.780597997332394e+01, -3.176403756597461e+00, -1.359464719076535e+04, 2.234619015848274e+00, -7.057644963710272e+00, 5.550109179039548e+02, -1.229428959661814e+02, 3.061495847612649e+03, 6.120488721739438e+01, -3.034181516972204e+05, 3.271049059701784e+04, 1.944052106109215e+03, 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