# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/be15f93d-e918-42a3-b171-1a3dd2445e18/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 Pb2O3 / P2_1/c (14) / materials id 20078](https://mdr.nims.go.jp/datasets/3f49cc30-1d38-4971-a0a3-b08756ff44ad) ## Fulltext elements: [O, 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, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.309992796441416e+02, -3.178142406665174e+00, 1.406663516654811e+03, -1.493912943868681e+05, -5.618686694552928e+04, 7.314713974378393e+00, 2.550844900743515e+05, 0.000000000000000e+00, -9.172455317988406e+05, 8.494345153781648e+04, -2.453030172793524e+02, 6.776202432681229e+06, 0.000000000000000e+00, 1.350877599162614e+06, -6.145751894479800e+03, 1.697105085703394e+03, 8.734682324775775e+05, 0.000000000000000e+00, -5.313573475387150e+05, -1.002639285942755e+05, 1.517252113615826e+03, 2.635261254011223e+06, 0.000000000000000e+00, -2.548277686358565e+06, 3.939253004641720e+04, 6.419169909762641e+02, -6.197221516486314e+05, 0.000000000000000e+00, 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