Enter a model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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 eV

Sum of isolated atom energies: 0 eV


Optimization complete
    lattice constant: 2.41924327699211 Angstroms
     cohesive energy: 7.42658376130405 eV/atom