/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004 Fe 55.845 diamond 5.523763611912728e-10 0.8 1.5 18 23 8 20