# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8d51c6a9-1268-4097-a8dd-61b2860b8bb2/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 ScBiO3 / R3c (161) / materials id 754009](https://mdr.nims.go.jp/datasets/eda08184-b8f1-48f4-8247-fdd80330657e) ## Fulltext elements: [Sc, Bi, O]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: [44.96, 209.0, 16.0]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: [1.851879092921853e+04, 8.304544358803911e+00, 1.846666365792794e-01, -1.573654945888192e+04, -1.535958754360330e-01, 5.153864305676961e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 8.898478099639327e+04, 2.674518283511663e+03, 0.000000000000000e+00, 2.400286281053665e+01, 6.392522055401357e+01, 6.600786736248689e+01, 3.264532375995988e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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