# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/54c76c46-9bfc-4229-a566-f99df5f66f1a/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 AgAuF4 / I4/mcm (140) / materials id 16060](https://mdr.nims.go.jp/datasets/a489b842-2d46-4381-97c0-cadd4d839154) ## Fulltext elements: [F, Ag, Au]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: [19.0, 107.9, 197.0]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: [1.279861757201076e+01, -2.798039850610147e-02, 1.298940724476643e-01, 3.369249662297552e+04, -1.029755778948455e+04, -1.637325751180550e+04, -2.852815438164474e+03, -9.880308620106316e+03, 4.669643940636278e+02, 1.265660499964248e+02, 1.520298754593748e+02, 0.000000000000000e+00, -3.172934408599754e+06, 4.854762759013659e+00, -6.843332611134791e+04, -1.547776837931890e+06, 0.000000000000000e+00, 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