# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/09b2af7b-d3a7-4ba9-9c2d-18c86e6c4806/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 ThO2 / Fm-3m (225) / materials id 643](https://mdr.nims.go.jp/datasets/13e248b9-a1b3-4928-91e0-c5396f2101ba) ## Fulltext elements: [O, Th]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, 232.0]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: [6.207588024132276e+00, 1.191793610860057e+00, 2.973053437331950e+02, -7.139961314967763e+03, 1.766311940634962e+03, 2.837778715655179e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.034507159550846e+04, -3.755883581031362e+03, 3.495679008574087e+01, 0.000000000000000e+00, 0.000000000000000e+00, 8.716502064489581e+03, 9.755511638757979e+02, 2.840509088023512e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.595769227748468e+03, 3.144350043467688e+03, 2.559310364336459e+02, 0.000000000000000e+00, 0.000000000000000e+00, 3.296063599980252e+03, 2.190245540224071e+03, -2.600425248525048e+02, 0.000000000000000e+00, 0.000000000000000e+00, -7.026189510537093e+03, 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