# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4d3e5178-5b26-4759-b121-f011191b3b79/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 KSiH3 / Pnma (62) / materials id 28695](https://mdr.nims.go.jp/datasets/98c4fd3c-f65d-463c-8d56-c385e1d97518) ## Fulltext elements: [H, Si, 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, 28.09, 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: [3.432633510210377e-02, 1.527089886363712e-02, 5.180416974121762e-02, 6.675034016419951e+00, 6.809693652929376e+01, -2.315980597078894e+04, -2.242410817489953e+00, 2.959126417334300e+00, -1.472307104783431e+01, 4.148180479886761e-01, -4.637873658956446e+01, 3.606122159110965e+01, -2.386584101505627e+03, 3.177610245932880e+01, 2.502082134173196e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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