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=-3.9774851942 stress="6.531372877647294 -2.923058336688879 1.9873811041084004 -2.923058336688879 3.33802338493436 0.4970428689436992 1.9873811041084004 0.4970428689436992 4.386099861626697" pbc="F F F"
C      -0.17428855       0.03603648       0.02335874      11.09356112       0.63705738      12.89566197 
C       1.57064947       1.53369179       0.02598936      -0.44098274      -1.99309387       1.75176747 
C       1.22329650      -0.03624564       1.40583543     -22.52124832      12.52043033      -9.63989565 
C      -0.24440284       1.20178472       1.79874826      11.86866994     -11.16439385      -5.00753379