/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Mo bcc Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004 3.140962809324265e-10 1.082078432912322e-18