/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_003 Kr 83.798 fcc 5.653579071164131e-10 0.8 1.5 18 23 8 20