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=-4.088750381481458 stress="0.9588529362991264 0.25221663928702853 -0.21468621773000487 0.25221663928702853 1.111445446612104 -0.13234189850900074 -0.21468621773000487 -0.13234189850900074 0.9151815616126302" free_energy=-4.088750381481458 pbc="T T T"
C       2.85540510       0.11115480       0.11044915      13.95772349      -3.69816080       5.66537522 
C       1.58639575       1.27038270       2.83833517      -1.97126776      -2.79852428      -9.52712203 
C       1.28829595       2.83509776       1.64041416     -12.26340462      -7.99535779       7.60387393 
C       2.77812781       1.51878885       1.32834452       0.27694890      14.49204287      -3.74212713