/disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner /disk2/worker/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003/runner Al fcc Sim_LAMMPS_AGNI_BotuBatraChapman_2017_Al__SM_666183636896_000 2.25e-10