# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2471c39c-c582-4b23-8978-8fd47ee2ea69/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 ZrCl2 / R3m (160) / materials id 23162](https://mdr.nims.go.jp/datasets/0c37cc43-d089-43f9-acc0-90378b85fd7c) ## Fulltext elements: [Cl, Zr]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: [35.45, 91.22]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: [2.608077449288614e+02, 9.338742784281928e-01, 3.589959698183663e+01, -3.195750631940083e+06, 1.170257839667446e+05, 2.249828988927311e+02, 7.133502620036885e+04, 0.000000000000000e+00, 0.000000000000000e+00, 8.285543342599143e+04, 1.987323352033932e+03, -7.088447315463050e+05, 0.000000000000000e+00, 0.000000000000000e+00, -2.125398672069153e+06, 8.722319466252492e+01, 9.636331573089299e+04, 0.000000000000000e+00, 0.000000000000000e+00, -4.117520641653140e+04, -2.736799197991177e+02, -3.231090776732427e+05, 0.000000000000000e+00, -4.272532600392788e+06, 5.261477295102711e+04, -3.983297500890675e+02, 8.265745018274861e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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