# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5cf63d8e-bfbb-4476-9371-408c2f1cac55/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 Li2PdF6 / P4_2/mnm (136) / materials id 13985](https://mdr.nims.go.jp/datasets/0883205a-f6ff-4204-973c-f5de8c9d1f49) ## Fulltext elements: [Li, F, Pd]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, 19.0, 106.4]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: [1.718561955351366e+00, -3.712311480225100e-02, 4.320242383241461e+00, 1.509004791629448e+00, 1.328292979832938e-01, 0.000000000000000e+00, 1.951334808840202e+04, 4.879074720706389e+02, -9.322850844571303e+05, 2.482711306452437e+00, 1.877526007287460e+03, -4.159451968708336e+01, -4.987654663511976e+01, 1.938433294606954e+05, -1.151293073050400e+03, 0.000000000000000e+00, 1.005248109793480e+03, 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