Enter a model name:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_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: -0.174746203570118 eV

Sum of isolated atom energies: -0.349492 eV


Optimization complete
    lattice constant: 2.50412504228253 Angstroms
     cohesive energy: 8.49356682220455 eV/atom