# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/290ca51a-283d-4d05-b30d-9693e09771ef/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_3/mmc (194) / materials id 5496](https://mdr.nims.go.jp/datasets/8e26bb44-0ec7-4cf6-9230-94ed92b02dd2) ## Fulltext elements: [C, N, 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, 14.01, 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: 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: [1.190414266581103e+02, 1.746983287988636e+00, 4.916574108052970e-01, 4.494766533407041e+01, 2.600163499450266e-02, 8.016272113022433e+00, 0.000000000000000e+00, -3.808242759111842e+04, 1.253945619265392e+04, 4.403222073986322e+03, 1.049524599718559e+02, -7.456983491767246e+04, 1.029807434924842e+02, 7.778859331537284e+00, -5.784319150562056e+00, 9.914587103705034e+01, 0.000000000000000e+00, -1.149510902483408e+03, 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