# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4d1c4b3f-059a-48e7-8533-1ee545e7df64/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 U(HO2)2 / Pbca (61) / materials id 510128](https://mdr.nims.go.jp/datasets/c526b61c-63cd-4cb9-b723-92b7583c0ab2) ## Fulltext elements: [O, H, 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, 1.008, 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: [4.569119683826226e+00, -9.158620407435236e-01, 6.792197788778765e-01, 6.105828661703947e+00, -1.334889085720239e+01, 4.958984218872703e+05, -6.701031682742911e+03, -8.487031179693478e+02, -1.158239305111273e+03, -4.945993637505821e+00, -3.444786863154309e+02, 5.435910768364121e+02, -5.408466271772536e+02, 1.092745459532518e+01, -2.416438182016107e+03, 0.000000000000000e+00, -1.151399477637446e+06, 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