# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/09a89ddd-51a6-49c4-b2df-fe0c317e0542/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 GeBi2O5 / Cmc2_1 (36) / materials id 23446](https://mdr.nims.go.jp/datasets/bce64f9a-ff96-417c-8105-7edeec036cb3) ## Fulltext elements: [O, Ge, 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, 72.61, 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: [2.180299074915461e+01, 6.310184181016098e-03, 1.855253822309684e+00, -2.877972672055035e+01, -4.766785752063652e+02, 9.173214523173010e+03, -6.120603177410745e+04, 6.217266689864405e+02, 4.990777952038513e+03, 9.906944027143265e+00, -4.201305084990032e+02, 4.060047383837678e+03, 1.642252453839127e+05, -3.400320659895331e+02, -1.468268765763657e+06, 1.965817486710280e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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