# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/02900763-18e8-46e4-bc2b-2216ec580a14/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 ZrGeO4 / I4_1/a (88) / materials id 8042](https://mdr.nims.go.jp/datasets/95b6c35a-ec9e-40e1-bae9-5979cd164ffc) ## Fulltext elements: [O, Ge, Zr]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, 72.61, 91.22]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: [1.716385340606927e+00, 5.268303530234644e-02, 7.364923667156671e-02, 1.243734142666693e+03, 5.491759537305384e+02, 1.113793927421084e+03, -4.836015786174646e+02, 3.068270351611685e+02, 1.599423826086683e+02, 2.590404773192183e+00, -8.392142862265386e+00, 9.509980304698704e+03, 5.726032520846731e+03, 2.750432288123785e+01, 1.195615358428198e+05, 2.290708639254532e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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