# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d1acf493-7c05-4d87-80f8-f1e59e44a091/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 Li2GeF6 / P4_2/mnm (136) / materials id 7791](https://mdr.nims.go.jp/datasets/ec5ab030-b700-4582-a408-1020d2857046) ## Fulltext elements: [Li, F, Ge]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, 19.0, 72.61]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: [1.031129278550552e+00, -6.989739161817696e-02, 2.295604318314390e+00, 1.559748710063892e+00, 6.809156835061100e-03, 0.000000000000000e+00, -7.143290036184148e+03, 1.263744025428424e+02, 5.167341523993494e+04, 2.477453117516099e+00, -3.552869398522209e+02, 1.074409225200490e+01, -2.756664970160824e+01, 3.289547491751877e+04, 8.313553199955535e+01, 0.000000000000000e+00, 6.693818564126206e+02, 3.006018526641505e+01, 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