# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e3dbb486-0185-40f7-acf8-54cd4e4b990b/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 Sr2Bi2O5 / P2_1/m (11) / materials id 760510](https://mdr.nims.go.jp/datasets/7b84ef1e-cb81-4bfc-a5ac-400dd4217eb3) ## Fulltext elements: [Sr, 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: [87.62, 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: [1.145408962391695e+04, 1.184466799499929e+03, 1.201868125736220e+00, -1.735597446391946e+02, 4.224944642769183e-01, 4.303315628764406e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.895891053896936e+07, 0.000000000000000e+00, 4.518690412465222e+06, 0.000000000000000e+00, 4.124894447498739e+03, 6.555747620340655e+01, -2.333318177464315e+03, 1.446206835641856e+04, 0.000000000000000e+00, 1.033978416026651e+05, 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