# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dd77fa5d-b1f6-475f-980f-56c4764c5bdb/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 Ag2PbO2 / C2/c (15) / materials id 20210](https://mdr.nims.go.jp/datasets/1be98d7f-cccc-4cd0-9ffd-46e315c1b87a) ## Fulltext elements: [O, Ag, 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, 107.9, 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: [2.551888383561076e+00, 1.396363834703612e-01, 4.913789092213863e-02, 2.825028223859124e+01, -8.214719722236683e+01, 3.008929238552478e+02, 4.691559822887846e+04, 5.960736402638457e+02, -1.082053375952122e+03, 2.735065007286299e+01, 1.711630136776743e+01, -6.190404655634865e+03, -4.423306817411603e+04, 6.507828091464251e+01, 3.739925414297404e+04, -3.350541356858290e+05, 2.866856535419989e+05, 0.000000000000000e+00, 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