# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2869d48b-da84-4e1d-bbe0-135c758600fd/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 K4GeO4 / P2_1/c (14) / materials id 17015](https://mdr.nims.go.jp/datasets/09ec716b-32ac-4aea-9e32-73196f05a16a) ## Fulltext elements: [O, K, 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: [16.0, 39.1, 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: [3.555183862705772e+00, -2.166040998630839e+00, 2.888084681016219e-02, 4.350247025597055e+01, 1.740160938458137e+02, 0.000000000000000e+00, -9.713584395283273e+03, 1.715912509589901e+04, 1.541356227166844e+02, -5.346414193438160e+03, -1.433057641662361e+02, 3.409415402078275e+04, 7.416508101867429e+05, 2.680760909366239e+00, 1.099349395101175e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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