# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4ca82898-8ac9-4714-83c0-4572769f957c/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 / Pnma (62) / materials id 756205](https://mdr.nims.go.jp/datasets/621f7869-f171-485f-8b23-8c551a6f6fd3) ## 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: [2.074135477152908e+04, 6.129183331985025e-01, 2.662644507725271e-03, 2.074830648188022e+03, 1.183466695328428e-01, 1.379514549657092e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.083233773272065e+06, -5.241315705473365e+06, 9.072365217938734e+03, 0.000000000000000e+00, 7.009081159301471e+03, 1.329488948448435e+01, -5.424704281101691e+01, 8.596093513184323e+02, 0.000000000000000e+00, 2.490219690649898e+06, 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