# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9eabfd44-4fa9-4db2-8710-a83382b3050f/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 K2CN2 / C2/m (12) / materials id 10408](https://mdr.nims.go.jp/datasets/4291195c-baba-48d7-a9c7-1da09254dd62) ## Fulltext elements: [C, N, K]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, 39.1]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: [-6.367854722687004e+03, -8.700323534680557e-02, 1.481683918870538e+00, -2.031519488750663e+00, 1.935600935486313e+00, 4.506866297416236e+01, 0.000000000000000e+00, 3.325275554904771e+05, 0.000000000000000e+00, -3.957780545149776e-01, -1.557531132848117e+01, -4.398870325395919e+01, -2.908458024455162e+02, -1.780079087186479e+04, -9.693343505904931e+04, 1.936351439763031e+06, 1.477756996341375e+03, 1.843280586159544e+04, 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