# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4af6fdc3-8f6f-460f-852f-17ba79938bf1/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 K4Nb2S11 / Pca2_1 (29) / materials id 15148](https://mdr.nims.go.jp/datasets/1d8b33e8-ddcf-4f46-abeb-43041e807324) ## 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: [4.171291431465972e+00, 6.706566733005583e+01, 4.384546369820348e+00, 6.028167476661263e+05, -1.379858594083103e+04, -8.910560483425578e+02, 2.956217536887374e+02, 1.404289193532429e+05, -9.767733982591641e+03, -6.100233809456754e+06, -1.209492699794784e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.777507809814856e+03, -7.159260593211527e+07, 4.679097526462089e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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