/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_002/runner Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Rb__MO_908110223949_002 Rb 85.4678 bcc 5.61314502358e-10 0.8 1.5 18 23 8 20