# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/778b232b-ebdd-40a0-82f0-be844c786727/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 KBiO3 / Pn-3 (201) / materials id 29799](https://mdr.nims.go.jp/datasets/1f7f6702-c717-4376-b561-e705cbd9c6d2) ## Fulltext elements: [O, K, 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, 39.1, 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: [7.003383990209375e+00, 9.066801393815469e-01, 2.367179589651122e-01, 4.024971192600010e+01, -1.268734131869626e+02, 6.133121790307480e+01, 4.561026394916170e+04, 7.878319390645318e+04, 2.762270985432971e+03, 1.837131016471291e+03, -1.566480991188705e+03, 2.182418707073985e+05, 0.000000000000000e+00, 1.617869189515594e+01, 8.720909414250047e+05, 1.607823636090322e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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