# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d8fb23c5-3ba3-45ff-acf5-5fa8ed0dec1a/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 Na3BiO3 / I-43m (217) / materials id 27914](https://mdr.nims.go.jp/datasets/148d050d-e70d-4de8-9fdb-38cf94d2ee5b) ## Fulltext elements: [O, Na, 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, 22.99, 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: [7.510274357835103e+00, 1.144711698973998e-01, 2.534768086054286e-01, 3.619101899449141e+00, 9.113015796322555e+00, 1.242391730464550e+02, -3.383673192279180e+04, -6.676404817966663e+02, 2.067448574310437e+03, 2.690240851671599e+01, -7.117164498994181e+01, -5.801367916621691e+02, 8.592453881191786e+03, 3.435616245751172e+01, 1.269641024323713e+03, 1.284816479726437e+05, 8.043645178728433e+03, 7.458168426820202e+05, 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