# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5c5fda5d-e357-4db2-8085-cfd6c1fe45fa/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 SrMg2N2 / P-3m1 (164) / materials id 10550](https://mdr.nims.go.jp/datasets/a526c1cb-a6c3-4679-a602-d74335110528) ## Fulltext elements: [N, Mg, Sr]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, 87.62]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: [5.930538936267625e+01, 3.878849947963208e-02, 6.487143764176020e-02, 1.191698335121077e+00, 5.589752960515994e+00, 2.747386176899259e+02, 0.000000000000000e+00, 1.042850691004245e+04, 7.575344505028869e+05, 7.871757631140616e+00, -2.590843700721310e+01, -1.674319907019670e+01, 2.699526665726336e+02, 2.595505460132472e+02, 2.048508883219885e+03, 2.367927329170728e+04, 5.419637439907580e+02, 3.386971773204216e+04, 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