# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3c1398fa-95a3-44f6-b2c5-e889c78224fe/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 LiAgF4 / C2/m (12) / materials id 867712](https://mdr.nims.go.jp/datasets/823ca5c2-6460-4c01-9c93-8d919a29173a) ## Fulltext elements: [Li, Ag, F]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, 107.9, 19.0]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: [6.633762318199842e+01, 6.041821367429935e+00, -1.751538771231910e-04, 1.367583766996511e+02, 6.835332766450161e-02, 1.003900785293910e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.170805809503986e+03, 0.000000000000000e+00, 7.028084730621915e+03, 0.000000000000000e+00, 4.804966918246631e+04, 1.791750545898168e+00, 3.585883542909534e+00, -1.304237758689995e+01, 0.000000000000000e+00, -1.348581288884367e+04, 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