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:Z:I:1:forces:R:3 energy=98.7945036027 pbc="F T T" C -0.17428855 0.03603648 0.02335874 6 -148.85816362 -39.08122761 -184.64915527 C 0.83611608 0.78369179 0.03600128 6 71.00720327 80.44536919 -53.39851731 C 0.47329650 -0.05171225 0.65583543 6 210.64968710 -163.28292003 72.06714015 C -0.14270164 0.45178472 1.04874826 6 -132.79872675 121.91877845 165.98053242