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=-10.7220502256 stress="0.6476359843599193 -0.38293513294034226 -0.39099069992929364 -0.38293513294034226 0.6853089263557725 0.019433485673877825 -0.39099069992929364 0.019433485673877825 0.6556897171261411" pbc="F F F"
C       0.29140871       0.11455359       0.03253581      -0.20124265       0.35202286       0.56336615 
C       1.64904689       1.28091226       0.10609294      -0.78391926      -0.40901865       1.18576544 
C       1.46603997      -0.19401975       1.38487525      -0.70773062       1.35637390      -0.45951534 
C       0.01361598       1.35198705       1.47567541       1.69289253      -1.29937811      -1.28961626