# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0d329792-ec73-4072-b2ff-ede2fedc8760/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 K4Zr5O12 / P-3m1 (164) / materials id 27377](https://mdr.nims.go.jp/datasets/b3e5973c-8ee3-434c-a3b1-5b37907b4a93) ## Fulltext elements: [O, K, 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, 39.1, 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: [3.491822138777715e+00, 3.225840851116057e+00, 4.673552705123725e-01, -1.245562687609641e+03, 2.212726318872584e+02, 1.191719023617823e+02, -7.198280609586767e+02, 8.412836761213024e+04, 5.487899790646913e+01, -4.029814776711321e+03, -4.803297951567255e+02, 0.000000000000000e+00, -1.027287108364745e+05, 1.065221671373942e+02, 4.371404171921904e+04, 9.158756794720832e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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