# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9518ea9f-ebda-4570-8315-ea2311997441/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 KTe / P6_3/mmc (194) / materials id 2072](https://mdr.nims.go.jp/datasets/a66025a6-5e3e-4740-aeda-a9926270073d) ## Fulltext elements: [K, Te]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: [39.1, 127.6]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.786195165344281e+05, 2.962855354818365e+02, 7.671440675619895e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.477377057119986e+05, 9.169612993284214e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.518606322565217e+06, 5.273380537432952e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.149450680568429e+05, 4.083027644925804e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.964682645776717e+06, 3.448948541865184e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.266322814667967e+06, -3.049921208503743e+03, 0.000000000000000e+00, 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