4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-12.52574102420962 stress="1.1330082351492983 -0.6544235559118423 0.18132400848847338 -0.6544235559118423 0.9983477561636336 0.09832688095567066 0.18132400848847338 0.09832688095567066 0.6822593942283564" free_energy=-12.52574102420962 pbc="T F F"
C       2.75928940       0.09073906       0.27219963      -1.65091460       9.73143029       8.95393330 
C       1.64600579       1.63132919       0.25978669       2.91955443      -4.76831304       5.42381292 
C       1.22592512       0.18365717       1.70288723     -13.21749625      12.25345049      -5.67897525 
C       0.08343331       1.29585403       1.44809454      11.94885642     -17.21656774      -8.69877097