# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/af12d353-78de-4d0e-9a06-f4e0b757094c/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/c (15) / materials id 765559](https://mdr.nims.go.jp/datasets/08d56ff3-3bb0-4c1b-98a3-0b05caf5245b) ## 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: [1.064021167628203e+00, -6.599724793016263e+02, 2.514198527686870e-02, 1.205160731959791e+03, 1.737411857914083e-01, 3.825145174644013e-01, -4.555591296471711e+05, 0.000000000000000e+00, 4.294907755893163e+02, 0.000000000000000e+00, 5.692655086819199e+04, 0.000000000000000e+00, -7.653861529275314e+04, 2.123999772640707e+00, 3.035559259836506e+01, -2.335791570447481e+01, 0.000000000000000e+00, -3.516084514722715e+05, 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