# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/52728dd8-591e-4a77-b667-d94651c63832/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 548598](https://mdr.nims.go.jp/datasets/52c9e0b9-0bd4-4093-a1e2-86b283372edb) ## 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: [2.058385596640598e+00, 1.204740558823751e+00, 2.816867265170251e-02, 1.255664469110192e+03, 9.838879693518060e+03, 2.634247367838614e+02, -1.323375842667192e+03, 1.383682178672858e+03, 9.228566277908832e+02, 1.376416482877581e+02, 3.438185253608848e+02, 1.915745929118517e+06, 1.451489816468398e+07, -5.405061921789201e+01, 3.488211233367762e+06, 8.062159496426977e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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