# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ca9ae182-46a1-4f5b-b316-270619d4be92/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 KH3F4 / R-3c (167) / materials id 29331](https://mdr.nims.go.jp/datasets/c37c5eab-f653-408f-9385-30580286e510) ## Fulltext elements: [H, F, K]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: [1.008, 19.0, 39.1]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: [3.417369836799968e-01, -1.937209466268520e-01, 5.416814156344517e+01, -7.459713762776649e-02, 5.818459708163611e+00, 0.000000000000000e+00, -3.815524359408520e+01, -4.677858308452938e+00, -2.039014463471075e+04, -5.118298437220377e-01, -1.068730931100242e+04, 6.416157110651827e+00, 4.065834190428427e+02, 2.183446789365704e+06, 1.716702158417267e+06, 0.000000000000000e+00, -3.741514868272511e+02, -7.937515547905146e+04, 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