# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/10c4e115-8c47-48f8-a350-8c943c5b0c85/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 K2SmF5 / Pnma (62) / materials id 17434](https://mdr.nims.go.jp/datasets/531456a9-b985-466e-a6be-89d070f5e273) ## Fulltext elements: [F, K, Sm]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: [19.0, 39.1, 150.4]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: [8.703622849183748e+00, -1.142791441683456e+00, 4.618784843848413e-02, 7.029230581211430e+02, 9.235910114146138e+02, 4.938213331013675e+03, -1.342743877370052e+04, 2.344024690513100e+04, 3.334345871814010e+03, -4.927528559046028e+03, -4.805069336793626e+03, 8.305102944045683e+05, 0.000000000000000e+00, -4.025571819056297e+00, 1.397051834925541e+05, 4.101211569368253e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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