# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9fe701b7-17ff-49f0-8a29-32f69e4807fe/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 BaF2 / Pnma (62) / materials id 555585](https://mdr.nims.go.jp/datasets/8f6a4a18-6ca5-4c02-8b8a-d37f949be380) ## Fulltext elements: [Ba, F]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: [137.3, 19.0]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: [9.243258349960232e+02, 4.648952377143577e+00, 2.417848696133322e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.315850603499292e+03, 2.214339584483088e+04, -8.003092410726902e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.113744499402700e+04, -2.980656689156762e+04, 1.394937414392364e+05, 0.000000000000000e+00, 0.000000000000000e+00, 2.437624518705736e+03, -8.439203462215522e+04, 2.471659049609957e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.242209976813275e+03, -4.263155518581494e+04, 7.611123672561727e+04, 0.000000000000000e+00, 0.000000000000000e+00, -3.620867353270274e+02, -9.344662973220342e+03, 3.068536292549273e+03, 0.000000000000000e+00, 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