# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/34cb8040-ee20-4a0f-bdc3-2e13a52c74b5/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(BiO3)2 / P-3m1 (164) / materials id 27775](https://mdr.nims.go.jp/datasets/a76526d8-b686-424f-9dc8-e7136935e819) ## Fulltext elements: [O, Bi, 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, 209.0, 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: [2.599408835155603e+00, 3.555587179222517e+00, -2.268407819771873e-01, 2.678969249470056e+03, 1.290883475588910e+03, -1.034180961252232e+04, -3.975538914112938e+03, -2.716830301280581e+03, 2.244046132775407e+03, 1.099020280337108e+02, 5.022272124492181e+01, 7.886865793685229e+05, 5.425462713903182e+05, -7.268301289511303e+00, -3.094223045287096e+06, 4.129709741047454e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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