# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b05117ac-3efc-48a3-8969-2928ac1f64e9/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 Na2UO4 / Pbca (61) / materials id 17560](https://mdr.nims.go.jp/datasets/1b5261ab-d1e7-4992-9a92-26c44217682a) ## Fulltext elements: [O, Na, 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, 22.99, 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: [3.359586705851843e+00, 7.177626667504888e-01, 5.775767385902939e-01, 2.050160806310076e+02, 1.198517282011960e+02, 4.039332913472846e+05, -1.743090409737746e+04, 3.303872189962383e+04, 7.710524922948043e+03, -2.827034889739207e+02, -9.740595171713882e+02, 1.502217709831945e+05, 4.390817648948388e+05, -2.966187834684397e+01, 5.772367163349622e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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