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=-15.36884938990698 stress="-0.9142630182436159 -0.23360449649874937 -0.16043417791861997 -0.23360449649874937 -1.4891276002418157 0.04125377917109271 -0.16043417791861997 0.04125377917109271 -0.5665900462727486" free_energy=-15.36884938990698 pbc="T F T"
C       0.15300231       0.03848316       2.95774659     -12.25578443     -14.53596772       3.84323810 
C       1.41852158       1.45789336       2.88825682      16.71402628      15.69305690       9.59635304 
C       1.27041603       0.19178619       1.67895518       7.30283416     -13.88506451      -4.53111917 
C       0.29140871       1.61455359       1.53253581     -11.76107601      12.72797533      -8.90847196