# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6b01c1eb-dec5-49f7-85d6-2adf13073128/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 K3NbS4 / Pnma (62) / materials id 18383](https://mdr.nims.go.jp/datasets/f259c3ec-ab0a-4582-bdc8-42308a8840fa) ## 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: [3.878822803829190e+02, 7.508654849868860e+00, -1.394352986026436e-01, 2.802660856423069e+02, 1.803044182696669e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.000953559247715e+05, -5.065138921126985e+05, -5.348009040460493e+04, 0.000000000000000e+00, 0.000000000000000e+00, 5.980561956176420e+01, -2.401691783569431e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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