# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/16987a66-4fe2-4223-a59f-eee831a64f20/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 As2PbO6 / P-31m (162) / materials id 20015](https://mdr.nims.go.jp/datasets/b7479f1c-ef1d-4fe8-9c50-0d38b83f9734) ## Fulltext elements: [O, As, 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, 74.92, 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: [5.749243283347519e-01, -1.170160709274426e-02, 5.113391907165955e-01, 1.691748959040510e+01, 1.105380369116037e+04, 0.000000000000000e+00, 8.183382450856556e+02, 2.658753471316624e+01, 3.275731446837760e+03, 1.662723803868890e+00, 8.859489344352566e+01, 3.941309803283942e+02, -1.041046145544381e+06, 9.786578744766043e+02, 0.000000000000000e+00, 0.000000000000000e+00, 5.896410593196675e+04, 0.000000000000000e+00, 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