/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_002/runner Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_002 Fe 55.845 fcc 3.6110509038e-10 0.8 1.5 18 23 8 20