# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0c7368d4-8d28-409e-a03e-d1a6cde87211/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 BaAs2 / Pc (7) / materials id 31243](https://mdr.nims.go.jp/datasets/61f9173b-6cd8-46e8-be87-bb81beae0a4f) ## Fulltext elements: [As, Ba]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: [74.92, 137.3]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: [-2.430292529917718e+01, -1.484054921244366e+03, 2.707721143998660e+05, -1.164126599716131e+04, -4.669917691600981e+06, -8.110765482867859e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.038496027764147e+04, -5.868673210828270e+06, -3.715266309628943e+08, 0.000000000000000e+00, 0.000000000000000e+00, 3.896687875814798e+04, -4.979390023817969e+06, -3.955302312226284e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.319817856088566e+04, 6.307085971328937e+06, 1.325995404256574e+08, 0.000000000000000e+00, 0.000000000000000e+00, -8.278847775145137e+03, -1.724365770627584e+06, 8.341945115686262e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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