Enter a model name:
Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_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: -0.0976762566605789 eV

Sum of isolated atom energies: -0.195353 eV


Optimization complete
    lattice constant: 2.50814004593657 Angstroms
     cohesive energy: 7.7428174558331 eV/atom