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=7.087837971741001 stress="-1.258949183455118 -0.13282104708948045 0.036631367763373515 -0.13282104708948045 -0.6369306809262281 -0.2961699932363736 0.036631367763373515 -0.2961699932363736 -0.3226371955939014" free_energy=7.087837971741001 pbc="T T F"
O       2.70245745       0.16431082       0.03277713      -0.75781581      -4.73292082      -5.09069697 
O       1.39971974       1.15062563       0.21813893       1.65827330      -2.06918695      -2.49212110 
O       1.26716069       0.19410236       1.33096497      -2.04940658       2.74339001       1.53655795 
O       2.88201197       1.43300593       1.22002482       1.14894910       4.05871776       6.04626012