# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4f98192c-9027-473c-b4ee-b3d41f2c1340/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 LiCl / Fm-3m (225) / materials id 22905](https://mdr.nims.go.jp/datasets/79df628d-1811-432e-b863-b4f2743f05ca) ## Fulltext elements: [Li, Cl]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, 35.45]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: [1.619005886353561e+01, 1.534222121758209e-01, 4.583180880412451e+01, 0.000000000000000e+00, 3.974379093273140e+03, 4.402905301479049e+01, -5.170521752720082e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.458302146656287e+03, 3.217507070704551e+01, 1.335321742103391e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.776443891071230e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.544509102568686e+04, 2.030068046106658e+01, -3.766661829104853e+04, 0.000000000000000e+00, 0.000000000000000e+00, -2.363109746335949e+04, -2.754271594162120e+01, -4.361698336765627e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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