Enter a model name:
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_000
Enter the choice of structure:
1: graphene-like
2: 2H TMD structure
3: 1T TMD structure
1
Please enter an initial lattice constant (Angstroms):
2.5
Please enter species 1:
C
Please enter species 2:
C

Isolated atom energy: -0.102891448711713 eV

Sum of isolated atom energies: -0.205783 eV


Optimization complete
    lattice constant: 2.51151721699452 Angstroms
     cohesive energy: 8.6818539836973 eV/atom