# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/df6edb38-6302-4e3a-a811-646198300fa5/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 / P4_2/nmc (137) / materials id 755084](https://mdr.nims.go.jp/datasets/a6d06385-52f3-44d3-a1f1-ce5b3f596071) ## 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: [2.098937749334929e+00, 2.166203688807738e+00, 1.339975372151337e-01, 0.000000000000000e+00, 3.661900062798186e-02, 6.145347197047859e+00, 9.553117360808841e+02, 8.782891859076275e+03, -1.499853821818644e+02, 1.277358186672694e+04, 1.408067354901993e+03, 0.000000000000000e+00, -1.455696541832011e+01, 2.280678003782834e+01, -5.400317455934558e+00, 1.091713953052278e+01, 0.000000000000000e+00, 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