/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Ca fcc Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_002 5.61686705053e-10