# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/be09bd76-ed05-4378-a641-22b384fa12ef/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 PrPtF7 / P2_1/c (14) / materials id 17446](https://mdr.nims.go.jp/datasets/7c657123-98d1-408f-a40f-ce457d1a13b2) ## Fulltext elements: [F, Pr, Pt]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, 140.9, 195.1]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: [1.627614108395888e+01, -1.824425166168307e+00, 1.864350018224390e-02, -9.882207609708998e+05, 2.940026560731405e+04, 0.000000000000000e+00, -2.842677076820235e+04, 8.582033639296284e+03, 1.356131254108826e+03, 6.470848092189499e+02, -3.434549509072313e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.929016120379645e+00, -5.864564212961839e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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