# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4a925321-9c71-4e04-b9ca-0c3c20db347a/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 Cu2PbO2 / C2/c (15) / materials id 29396](https://mdr.nims.go.jp/datasets/bb7cbafe-c29d-4fc7-8ba7-42aa50eef3ef) ## Fulltext elements: [O, Cu, 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, 63.55, 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: [4.813514499878429e+00, 4.608196872608455e-02, 5.917086246727658e-02, -1.974867591444377e+00, 1.256649625925525e+01, 8.526898742563330e+01, 2.307584060339681e+04, -2.133912368711053e+02, -1.646749566409298e+03, 3.618098837178701e+00, 5.445141000966339e+00, 1.558634344685283e+02, -5.919024937282503e+03, 8.068797809101420e+01, 1.589431646284587e+04, 3.841733292471328e+05, 2.877443870416571e+04, -2.758985787667865e+03, 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