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=28.5138730215 stress="-7.362193308067319 0.5329637164382216 -0.7060968787468128 0.5329637164382216 -10.116955712370286 -3.485454850789926 -0.7060968787468128 -3.485454850789926 -9.60929419744703" pbc="F F F" O -0.14459490 0.11115480 0.11044915 -15.46674119 -29.92877887 -31.72653444 O 1.70960170 1.31143450 -0.16166483 12.63348304 8.38237066 -8.66437105 O 1.28829595 -0.16490224 1.64041416 13.23187845 -11.25967817 15.44786855 O -0.22187219 1.51878885 1.32834452 -10.39862030 32.80608637 24.94303695