# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8ab78699-5abc-42e5-bd6a-4c0de0efcf2f/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 KSi / P-43n (218) / materials id 1217](https://mdr.nims.go.jp/datasets/0ecce5ee-47ed-412c-9aee-8eb3b7dd40d5) ## Fulltext elements: [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: [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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.008310044957628e+00, 9.956974470197308e+01, 9.542001641550424e+01, 1.137761650914625e+02, 3.140647902860867e+04, 1.136244861924176e+07, 0.000000000000000e+00, 0.000000000000000e+00, 9.460134041170173e+01, -4.879966540380277e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.529623274431753e+02, 2.605188979454489e+05, 2.306463219243348e+07, 0.000000000000000e+00, 0.000000000000000e+00, -5.911185892344822e+02, -8.042514455545864e+05, -4.681633287865256e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.644737892793301e+02, 4.529815172921348e+05, -2.792535773637263e+05, 0.000000000000000e+00, 0.000000000000000e+00, -7.898261621254288e+01, 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