# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0ca53ea6-21de-4654-8844-63581732c3ba/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 BaGe2 / Pnma (62) / materials id 2139](https://mdr.nims.go.jp/datasets/133337df-1828-42d3-8825-9f48314e419e) ## Fulltext elements: [Ge, 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: [72.61, 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: [2.678944521998060e+00, 2.104387131583368e+01, -2.008142230515257e+06, -2.179110394816915e+02, 4.415522742662872e+05, 2.079297797699016e+07, 0.000000000000000e+00, 0.000000000000000e+00, -5.867817449332912e+02, -1.356961110947595e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.796340830536133e+03, 1.435989553573302e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.318892852589638e+04, -2.221767657317768e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.723859480037688e+03, 2.369400087643045e+06, -7.125888261483119e+07, 0.000000000000000e+00, 0.000000000000000e+00, 2.934502997183729e+02, 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