# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6f0f5408-30f6-4b2e-8f3a-1509bcaad18b/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 KLi2As / Pmmn (59) / materials id 28994](https://mdr.nims.go.jp/datasets/0c7dd275-ba5e-4910-8078-e844c228bece) ## Fulltext elements: [Li, K, As]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: [6.941, 39.1, 74.92]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: [7.002952958756631e-01, 4.996904100856239e+01, 1.367211325495850e-01, 2.905356234561172e+03, 2.899479970453030e+00, 2.078978203962668e+04, 4.595698770247589e+02, 2.206098683112717e+03, 1.009762859651318e+02, 0.000000000000000e+00, 2.399728037452813e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.026495131339220e+02, 3.075313714902330e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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