/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000 Se 78.96 bcc 3.66631294041872e-10 0.8 1.5 18 23 8 20