# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/64b47907-8131-49ca-ad2c-1311e6bcd374/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 KTlO2 / R-3m (166) / materials id 8175](https://mdr.nims.go.jp/datasets/aaa362e9-40d6-4949-834d-31a5004b9433) ## Fulltext elements: [O, K, Tl]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, 204.4]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: [2.435237998132099e+00, 1.537470500082111e-01, 3.621011414167476e-02, 2.370519647406944e+01, 1.431478979373587e+02, 1.350394125693874e+02, 2.921342440976383e+04, 9.738727851250946e+03, 1.899604359540722e+02, 2.005060082141729e+02, 1.414553836574447e+02, 2.158283582293913e+04, 2.058371703497682e+04, 9.367429588780569e+00, 2.894734717395315e+04, 3.033084711381710e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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