# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/787dba57-6720-4c46-b495-c6850a41d3a5/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 AlBO3 / R-3c (167) / materials id 8110](https://mdr.nims.go.jp/datasets/9fa04f9f-51d4-416e-9f1d-623ff5a8d58a) ## Fulltext elements: [B, O, Al]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: [10.81, 16.0, 26.98]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: [-1.681227642057491e+02, -1.847027845841765e-03, 8.307837075432659e-01, 8.458037370559131e-01, 3.646578501020277e-02, 2.965854828020667e+01, 0.000000000000000e+00, 1.469628416119162e+03, 1.972380049850156e+06, 2.920331784775327e-01, 3.236057973915894e+01, 2.349312803732126e+00, -9.642650298180538e+00, 4.639187097703744e+03, -3.154272430182824e+01, 8.219999150922331e+05, 1.541877004739064e+02, 7.435796450310886e+01, 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