/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Ca fcc Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_004 5.616867050528527e-10 2.739079852556123e-19