/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner W bcc Morse_Shifted_GirifalcoWeizer_1959MedCutoff_W__MO_390128289865_004 3.155576832592487e-10 1.40036878204646e-18