/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_002/runner LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_003 Kr 83.798 fcc 5.65357907116e-10 0.8 1.5 18 23 8 20