# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1e116fb5-907a-42c9-b6e0-4c7d7832f898/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 Tb2O3 / C2/m (12) / materials id 2457](https://mdr.nims.go.jp/datasets/49f57cb7-26a9-4e51-9228-2df15cd35ed1) ## Fulltext elements: [O, Tb]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, 158.9]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [6.239770729378904e+00, 4.069747387161585e+00, 3.478414916534152e+01, 3.944537466423565e+02, 4.361510349809430e+03, 8.308156546415641e+01, -8.870352846004277e+04, -1.629077510501352e+07, 7.323179310398641e+03, -1.890610585965763e+04, 1.821904847810212e+03, -1.203913024498603e+06, 2.398588983877816e+07, -2.380345188781875e+04, -1.810719741110439e+03, -4.244661222088204e+02, -2.263552887242290e+05, 5.016353000787044e+07, 1.106239660149118e+04, -8.034742236484658e+03, 1.215115439200015e+02, 4.129474835616420e+04, 3.209012980146675e+06, 2.059170146764622e+03, 6.537049736234342e+02, -5.656267782542689e+01, -7.279183902129467e+04, -6.419408882156190e+06, 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