# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6e36e3eb-537b-4ea3-bd1c-858ce8f0ffcc/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 Na6MgO4 / P6_3mc (186) / materials id 753816](https://mdr.nims.go.jp/datasets/924cc184-1073-4fa2-8065-2175410b66df) ## Fulltext elements: [Na, Mg, O]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: [22.99, 24.31, 16.0]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: [3.072413121163654e+00, 2.488654142731967e+00, 1.574658302898205e-01, 0.000000000000000e+00, 3.652057514014093e-02, 8.444055518416937e+00, 1.037456702040303e+03, 7.303410469954254e+03, -2.836352947907366e+02, 2.268084041005099e+03, 9.018990460618850e+02, 0.000000000000000e+00, 6.037463111334854e+00, 3.589374809987083e+01, 6.874467071361465e+00, 1.093964344352145e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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