/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Ba bcc Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ba__MO_143487634619_004 5.079688191413879e-10 2.590838858548712e-19