/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner W bcc Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_004 3.180568918585777e-10 1.326275560403486e-18