# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c63a9816-bfed-47b0-a444-3aeccf5dadd4/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 CaUO4 / R-3m (166) / materials id 3960](https://mdr.nims.go.jp/datasets/01efc93f-11b9-48ff-b69f-9e9e28002804) ## Fulltext elements: [O, Ca, U]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, 40.08, 238.0]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: 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: [1.599565715515284e+00, 2.324745632141396e-01, 1.305314119402504e-01, 8.349475360315998e+02, 2.142385759760086e+02, 6.342292717477139e+02, -6.534352312604567e+00, 2.060332115384101e+02, 9.351542625540343e+01, 8.266621483958593e+01, -7.839235000046953e+01, 1.957218412671308e+05, -1.100576310219381e+05, 1.652684116661436e+01, 1.448863950411281e+04, -2.089854278402742e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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