# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/eda57859-43bd-4335-a6e7-7f69e463f8d3/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 758054](https://mdr.nims.go.jp/datasets/8bb6cec0-6512-429d-ad25-a4f058e6cc9c) ## 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: [1.400104171712129e+01, 3.304727800201818e+02, 5.467119852766906e-02, -1.507409865939486e+03, 1.320813696609791e-01, -2.395936563428600e-01, -1.358584181039879e+06, 0.000000000000000e+00, 4.235772732611981e+02, 0.000000000000000e+00, 1.241570654578975e+04, 0.000000000000000e+00, -8.814398100535154e+04, 3.617242568732064e+00, 2.243053192437800e+01, -3.886988051028200e+01, 0.000000000000000e+00, -1.567790205568728e+05, 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