# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/47039221-1988-4d71-9a2f-b2f2c7f36bd1/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 K2ZnF4 / I4/mmm (139) / materials id 9583](https://mdr.nims.go.jp/datasets/d344e12c-f581-4d08-8d42-da24a7a2d455) ## Fulltext elements: [F, K, Zn]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, 39.1, 65.39]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: [1.665378987107370e+00, 1.359032213507360e+00, 1.104128108285285e-02, 3.395055041893557e+02, 6.203060250298570e+00, 1.281893170512698e+04, -1.227791901952449e+03, 2.608165745631872e+03, -1.542539982421442e+00, 2.026184511263063e+02, 1.401935662423139e+02, 0.000000000000000e+00, 1.246297139634498e+05, 3.378852108621252e+00, 1.709341168268968e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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