# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c9965b6f-ae2d-4991-9b97-4255a47eb021/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 Al4Bi2O9 / Pbam (55) / materials id 23426](https://mdr.nims.go.jp/datasets/33453ac4-e6c7-4c0c-954b-eac8aac112fb) ## Fulltext elements: [O, Al, Bi]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, 26.98, 209.0]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: [-2.967385790967011e+00, -6.611269908981959e-01, -4.441350839077940e-01, 3.102849230593799e+01, 4.057150859607847e+02, 4.430968658994094e+03, -2.297306347690965e+03, 1.354928659836458e+03, 5.532292555881512e+03, 1.612972849497755e+01, -1.340660845193208e+02, -8.343635117360828e+02, 2.861221288966553e+04, 1.525815049138265e+02, 2.558608462975562e+05, -3.625880582858761e+06, 2.046474285112519e+05, 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