# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b3bbd496-9ae5-42aa-aa69-37eaefd7c5f4/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 CaMg2N2 / P-3m1 (164) / materials id 5795](https://mdr.nims.go.jp/datasets/e9d8db37-5850-4b5e-b30e-638cf72c1e3b) ## Fulltext elements: [N, Mg, 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: [14.01, 24.31, 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: [4.014186879625576e+01, 6.953111904686113e-02, -2.277966132216296e-02, 6.806037490287079e-01, 1.560318534236221e+00, 1.274259765157426e+02, 0.000000000000000e+00, 4.517013701042282e+03, 6.205935392700637e+05, 7.533192258020915e+00, -4.671326525181612e+01, 2.486587577381929e+01, 1.625606392935215e+02, 3.054368674254686e+01, -3.630299497001884e+02, 3.211318908307985e+03, 5.195251034029596e+02, -2.654492049118193e+02, 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