# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5a301997-65d8-4c9e-83a3-0107cb154ad1/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 SmAlO3 / Pnma (62) / materials id 7405](https://mdr.nims.go.jp/datasets/54d662da-b016-4097-9048-c2d259095736) ## Fulltext elements: [O, Al, Sm]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, 26.98, 150.4]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: [4.155365440165210e+00, -3.725521137795548e-03, 2.797157974596589e-01, 4.982596339109279e+01, 7.722552502131448e+00, 1.661604389509048e+02, 3.662737898336538e+01, 9.837944068537101e+01, 4.115707264556934e+03, 4.049209495504346e+00, 2.566211125069181e+01, 1.531963998098314e+04, 1.568966591764448e+02, 1.473579692739175e+02, 8.864430937608649e+03, 6.656884517913405e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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