# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3839ebc0-d804-4346-8532-921ce845ca72/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 KH2N / P2_1/m (11) / materials id 24428](https://mdr.nims.go.jp/datasets/7a3b6a28-2165-4b7e-b402-37d13d4b0963) ## Fulltext elements: [H, 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: [1.008, 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: [2.214069960199034e-02, -3.686570382012714e-01, 9.417805566596344e+00, -1.127960453420016e+03, 7.097886275010109e+00, 2.233435411613410e+02, 2.142981664066820e+00, -1.253543654444353e+00, 2.906038153692221e+02, -1.509340334819844e+00, -7.326955819433942e+00, -5.628082566157357e+04, -1.298594011062280e+01, 5.989837317507579e+03, -1.445862185686228e+04, 5.247150636279064e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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