# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0dbc48db-109f-4b4d-b247-f4fa038bf16a/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 Mg2PN3 / Cmc2_1 (36) / materials id 3933](https://mdr.nims.go.jp/datasets/e87e1d37-e840-4ee3-8b21-a18bcba91f30) ## Fulltext elements: [N, Mg, P]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: [14.01, 24.31, 30.97]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: [4.095095563356479e+00, 1.359931533311310e-01, -6.006683737941185e-02, 1.791059694926432e+01, 7.920479774707867e+00, 6.861198400171733e+00, 3.563496516479088e+03, 4.412209146245310e+02, -3.418241663081906e+01, 1.153084133467944e+01, -5.534041635828041e+01, 2.340851648374181e+02, -3.556906587675361e+02, 1.963213791467527e+00, 5.204234273833805e+01, 1.532024287753625e+02, 2.966201749008598e+04, -1.953027229756475e+05, 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