# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/33d5aab0-7b1e-4cc0-897d-5fe9011af19a/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 KSmF4 / Pnma (62) / materials id 17697](https://mdr.nims.go.jp/datasets/ddaa23e7-ff69-4421-b5c7-4dc89f665e88) ## Fulltext elements: [F, K, Sm]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: [19.0, 39.1, 150.4]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: [7.005745066158595e+00, 1.330986616601122e+00, 2.677269053307171e-01, 1.939901544008478e+02, 1.391198447980742e+04, 1.160872612310462e+04, 1.180888434166157e+03, 3.011584173346609e+03, 4.291149479824887e+03, 1.928648426727617e+02, 1.032753558201633e+03, -1.213412443083195e+05, 0.000000000000000e+00, -6.156662981083162e+01, 0.000000000000000e+00, -2.074737598925365e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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