/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_002/runner Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_003 Ca 40.078 fcc 5.57215130329e-10 0.8 1.5 18 23 8 20