# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/649c81c4-80f1-46e5-b452-ffbd69c312bc/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 K3TaS4 / Pnma (62) / materials id 18148](https://mdr.nims.go.jp/datasets/b6308c0f-d489-457b-aa62-43aff4ff321a) ## Fulltext elements: [S, K, Ta]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, 180.9]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: [-5.525966369690136e+02, -1.362134624978313e+01, -2.531549716255928e-01, 1.020847325886431e+03, -3.306939916663296e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.695521674703995e+05, 7.776111774438063e+05, -7.301165626407841e+04, 0.000000000000000e+00, 0.000000000000000e+00, -7.769250947029554e+00, -5.745404868138528e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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