Enter a model name:
hNN_WT_WenTadmor_2019Grx_C__MO_421038499185_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: -1.29414384859023 eV

Sum of isolated atom energies: -2.58829 eV


Optimization complete
    lattice constant: 2.46744829302337 Angstroms
     cohesive energy: 6.7715766175986 eV/atom