# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8bfddf63-fb78-4b55-8c49-23cb62078dcd/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 KNbS2 / P6_3/mmc (194) / materials id 7938](https://mdr.nims.go.jp/datasets/a1aacc02-1e44-469e-9a3b-bb37ca11a021) ## Fulltext elements: [S, K, Nb]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, 92.91]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: [2.819845104252034e+00, 1.193286172623985e+00, 2.296046371960512e-01, 2.408010568156485e+01, -2.085748985895017e+01, 8.268593630024391e+01, -7.281108454600300e+04, 2.206760781978281e+05, 3.303176832355675e+03, 3.763898967280713e+03, 7.012194428190814e+03, -1.831705187117239e+05, 0.000000000000000e+00, 8.721502632480124e+01, 0.000000000000000e+00, -3.219176421137886e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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