# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f2c30f69-8712-4ab7-b5e6-2beb20952bf8/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 Al4C3 / R-3m (166) / materials id 1591](https://mdr.nims.go.jp/datasets/4a26a5fb-fbd6-4961-8adc-2afb9b02ce7a) ## Fulltext elements: [C, Al]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: [12.01, 26.98]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: [8.310528030102409e+00, 1.759492463024917e+00, 7.221330812855499e+00, 1.172742812400647e+05, 2.475495717913208e+03, 3.514738856073634e+01, 5.387942512327388e+01, 2.737918286167627e+03, -2.638763924307174e+05, -3.090581258085420e+04, -8.363219267755911e+00, 6.512834549350644e+02, -4.327184783694146e+03, -4.940694506474963e+06, -1.292000545558548e+05, 5.197810528859780e+01, -4.129926026743621e+03, -8.417862337400773e+04, 5.866058114367808e+06, 1.859482129108680e+04, 8.624053338801060e+00, 2.016484900256014e+03, 6.235283103258306e+03, 5.614876247672903e+05, 1.169644808414367e+04, -1.793065862111526e+01, -5.140880917798084e+01, -8.202009554926277e+02, 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