# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cb38537c-f616-4c0b-ab85-b1392b5b49f9/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 KSb / P2_1/c (14) / materials id 1536](https://mdr.nims.go.jp/datasets/090b19b5-6b5e-4f7e-897f-db79d5dca20f) ## Fulltext elements: [K, Sb]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, 121.8]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: [-1.513010873413537e+03, 2.505235426432088e+03, 1.270435530903088e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.218106936032709e+07, -9.551741565704033e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.983102140520612e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.755236786439455e+07, 2.544302307122382e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.841591400962910e+07, 2.424894964540278e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.465849206277049e+05, 0.000000000000000e+00, 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