# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3c1c6460-43d7-4cf6-aa44-87bd95c5c292/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 Al5C3N / P6_3mc (186) / materials id 570079](https://mdr.nims.go.jp/datasets/8ec6e8f9-1134-4930-b320-4dec6316ea5a) ## Fulltext elements: [Al, C, N]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: [26.98, 12.01, 14.01]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: [6.334424456185623e+00, 5.765838311623211e-01, 5.301226475953869e-02, 1.381251211388856e+01, 4.700461929741096e+00, 2.134063875547526e+01, 2.619004850244491e+03, 1.108916947752693e+02, 3.861655246653324e+01, 2.026286066746216e+01, -8.570356628959678e+00, 3.115067557479097e+03, 2.536673420225363e+03, 3.476199838996451e+00, 2.941555367096290e+03, -3.729219530311657e+02, 4.254740060960260e+04, 1.484475524446133e+05, 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