# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4ea28d74-f9c7-4048-83d4-4d201679aad6/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 Na2PdC2 / P-3m1 (164) / materials id 4823](https://mdr.nims.go.jp/datasets/621ec0b6-c938-49c4-8f0c-1862fad5b95a) ## Fulltext elements: [C, Na, Pd]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: [12.01, 22.99, 106.4]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: [1.901717383262839e-02, 5.942025164633827e-02, 6.473013382513750e-02, 5.916830860438297e+00, 5.713200304211232e-01, -1.195064173946045e+05, 1.554536280880313e+00, -2.307572254456066e+01, -5.487643018770692e+00, -2.245746771464679e+02, 8.943723047545612e+01, 6.050062435065108e+02, 7.130828819405334e+03, 9.094375208871902e+00, 1.286134414397922e+02, 0.000000000000000e+00, 0.000000000000000e+00, 7.126577603301770e+04, 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