# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/481eca8b-f4e7-4174-a217-699870a0de44/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 ZnPdF6 / R-3 (148) / materials id 13983](https://mdr.nims.go.jp/datasets/574c3198-ded1-4760-bc8c-3e393a9a6afe) ## Fulltext elements: [F, Zn, Pd]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, 106.4]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: [9.024203283748615e-01, 1.912265171459143e-02, 8.115575128914983e-02, 0.000000000000000e+00, -7.900075515665275e+02, 0.000000000000000e+00, 1.559720983901188e+03, -1.180681672719072e+02, 1.066980800823628e+02, 4.305884692936917e+00, 3.321429309253416e+00, 0.000000000000000e+00, 6.397915488257438e+04, 2.458368739297006e+00, -2.562798144180482e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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