/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_004 Kr 83.798 diamond 9.110654918849466e-10 0.8 1.5 18 23 8 20