# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e33fac18-c34c-4197-a0c4-cd8dba413112/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 K8Al2O7 / P2_1/c (14) / materials id 778430](https://mdr.nims.go.jp/datasets/85c03a3c-a7e4-49a3-9623-d68e2ec4c03b) ## Fulltext elements: [K, Al, O]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: [39.1, 26.98, 16.0]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: [2.140234839167606e+01, 9.378695118598920e+01, -9.563424506892055e-01, -4.302231071262510e+01, -2.548220653777183e-01, 9.958960677071836e+00, 2.597139452988472e+05, 2.737773702910412e+06, 7.650235293300220e+04, 1.134493201377351e+06, -3.748225264395570e+05, 0.000000000000000e+00, -1.141386843203160e+04, -2.966285172854933e+03, -4.546345786603839e+02, 2.181064263336526e+04, 0.000000000000000e+00, 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