/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Th fcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 5.666074258089072e-10 3.085169234735811e-18