/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_002/runner Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000 Ti 47.867 bcc 2.5e-10 0.8 1.5 18 23 8 20