# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/265cd0ee-a63b-4c1d-bbf2-36c1faaf9ef9/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 ZnF2 / Pbcn (60) / materials id 7709](https://mdr.nims.go.jp/datasets/2fe5ad36-24e6-48ca-a94b-9253467a965c) ## Fulltext elements: [F, Zn]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, 65.39]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: [2.915513080291866e+00, 5.658628597062945e-01, 3.347891852939957e+01, -1.850639159378997e+03, -3.902101371007336e+02, 7.156943152454170e+00, 1.889536686537656e+03, -1.531640775589400e+06, -9.144583761910997e+02, -1.484170457199104e+02, 2.207711460047127e+02, -1.933502771278447e+04, 2.037401897427481e+06, 4.887703402999897e+03, -1.447953077283442e+03, 7.486427549894611e+01, -1.809750895928670e+04, 5.122152627096610e+05, 5.948629179379774e+03, -3.445088927717015e+01, -2.030518593866447e+00, 1.231865933898326e+04, 1.075125198009279e+06, 3.651291831627173e+03, -7.330395691300830e+02, -7.936008680189918e+00, 7.761484719552223e+03, 1.634006029770141e+06, 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