# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e3d20a0c-0d7e-4bdc-a53c-8fb72ad20c16/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 Li2AgF5 / P2_1/c (14) / materials id 765481](https://mdr.nims.go.jp/datasets/b84a6c0d-47b6-4b6e-82fa-e14a4118e1ff) ## 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: [2.828478359057543e+00, -7.302558901624261e+00, 7.619496387893631e-03, 1.200490200222976e+04, 2.708098884143939e-02, 1.054404576498984e+00, -1.115187892297428e+03, -1.687155797003065e+05, 5.011778695108408e+00, -6.886024835992748e+05, -1.226594711348816e+03, 0.000000000000000e+00, -2.471282632619292e+03, 3.582816153804216e+00, 1.600059679908013e+02, -2.175974534716990e+02, 0.000000000000000e+00, 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