# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/097e38c0-ba67-4583-b90b-a572bd7cc082/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 ThF4 / C2/c (15) / materials id 31034](https://mdr.nims.go.jp/datasets/abdddd23-d702-44bb-a1af-a96a2988d6fe) ## Fulltext elements: [F, Th]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, 232.0]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.989319409014014e+01, -2.511878027198035e+01, 2.204885904752632e+07, 3.586367433932739e+04, 1.591559331899353e+04, -4.639355192956447e+02, 0.000000000000000e+00, 0.000000000000000e+00, 5.237003863254479e+03, 1.947611148573599e+04, 1.105791659885128e+04, 0.000000000000000e+00, 0.000000000000000e+00, 5.854832587436295e+04, -5.772627617954728e+04, 3.850286942412791e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.824512086268671e+04, -8.448446534607829e+04, -1.856703049942952e+03, 0.000000000000000e+00, 0.000000000000000e+00, -6.801239806071669e+04, -5.645798820246351e+04, 3.191399855759564e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.032211914731222e+03, 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