# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8c4416b8-df42-49a0-afff-263851fcf0f7/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 Ga2PbO4 / Ama2 (40) / materials id 20496](https://mdr.nims.go.jp/datasets/5c9abead-fac8-40a2-806a-53842e8d1c56) ## Fulltext elements: [O, Ga, Pb]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: [16.0, 69.72, 207.2]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: [1.868807921337638e+01, -7.850371952346236e-02, -5.727623225113498e-01, 9.878600879260334e+00, 2.844285879014502e+01, -6.097602003531872e+05, -2.592188137685040e+04, 1.004825724289881e+03, 2.259104148874226e+04, 5.636188577334619e+00, 1.087839696364940e+01, 2.159601480513909e+03, 5.231992920810211e+03, 8.857502268749965e+01, 3.683471994811299e+04, 0.000000000000000e+00, 3.065934705064896e+05, 0.000000000000000e+00, 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