/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_004 Ne 20.1797 bcc 3.385211773216724e-10 0.8 1.5 18 23 8 20