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=9.70095084821 stress="-3.424566828159252 0.4910661820297044 -0.15832930785261282 0.4910661820297044 -3.6608358550148 0.04319848570128819 -0.15832930785261282 0.04319848570128819 -3.408742412208457" pbc="F F F"
O      -0.12320595      -0.04105180       0.20259391      -6.83679923      -4.97509289      -4.47807607 
O       1.56504129       1.20865944      -0.13449789       5.24560550       3.97218637      -6.42846064 
O       1.28802619       0.22277084       1.68584377       8.10772625      -8.72660060       7.56278466 
O       0.18362810       1.69581920       1.64685009      -6.51653252       9.72950712       3.34375205