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=7.78355558671 stress="-2.3897985902578833 0.14363554358110936 -0.20087887907615506 0.14363554358110936 -2.7770999027264573 -0.6559639954094413 -0.20087887907615506 -0.6559639954094413 -2.7069742930114966" pbc="F F F"
O      -0.14459490       0.11115480       0.11044915      -5.02099925      -7.51974727      -8.20406453 
O       1.70960170       1.31143450      -0.16166483       4.18911258       2.78231785      -2.91854487 
O       1.28829595      -0.16490224       1.64041416       4.18229871      -3.73168308       4.93288401 
O      -0.22187219       1.51878885       1.32834452      -3.35041205       8.46911250       6.18972539