/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_002 Ca 40.078 fcc 5.559938663989308e-10 0.8 1.5 18 23 8 20