# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9e457c3d-a645-4957-930b-e4c0c10f3617/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 KCuS / Pnma (62) / materials id 28270](https://mdr.nims.go.jp/datasets/60508622-7068-419a-93ed-bf94ef0a04c3) ## Fulltext elements: [S, K, Cu]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: [32.07, 39.1, 63.55]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: [8.266783087351814e+03, 7.751011633225589e+00, 4.240024312330578e-02, 7.048603223094152e+02, 1.551220721824698e+01, 4.907269095162433e-01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.289036294125841e+04, -1.521679635701408e+02, 0.000000000000000e+00, 0.000000000000000e+00, 6.894711427135151e+00, -1.537444157715213e+04, 6.752975948490210e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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