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=112.75307632227691 stress="-6.933472822127664 0.9223060975942747 1.0860314603577625 0.9223060975942747 -7.178226222779701 -0.1294805087524587 1.0860314603577625 -0.1294805087524587 -11.376109153006041" free_energy=112.75307632227691 pbc="F F T"
O       0.20070203       0.28187239       0.01001192     -90.70918915     -57.17060393      78.48232484 
O       1.48453339       1.60170120       2.87793365      61.98222581      54.40433875      23.31650345 
O       1.21904386       0.00082602       1.74624097     101.56501281     -87.90610210     -60.52756789 
O       0.14302402       1.35498893       1.61042859     -72.83804947      90.67236729     -41.27126041