/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_000 Mo 95.94 diamond 5.870376124978066e-10 0.8 1.5 18 23 8 20