# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/77129c36-423d-4203-834f-ee2f0cb19073/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 KHF2 / I4/mcm (140) / materials id 23846](https://mdr.nims.go.jp/datasets/1129cb76-b446-45b2-9b69-af2ffcc0a5be) ## 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: [3.981654864268432e+01, -2.418436058345369e-02, 6.174615208518308e-01, 2.203344336060095e-01, 1.893969508509416e+00, 2.581073973098378e+01, 0.000000000000000e+00, -7.317490902103427e+02, 0.000000000000000e+00, -6.577816048085673e-02, 2.615621113355024e+02, 1.051011052399325e+00, -1.451889085940311e-01, 0.000000000000000e+00, 8.887989405889386e+04, 0.000000000000000e+00, 1.050224275926948e+02, -5.643208896526038e+02, 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