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=1.493095718605286 stress="-0.5381192866161426 0.12840450010352528 -0.05007331833683444 0.12840450010352528 -0.4285973857565092 -0.0016025450091156984 -0.05007331833683444 -0.0016025450091156984 -0.4645388611659066" pbc="T T T" O -0.14459490 0.11115480 -0.01275680 2.71005000 -3.36576176 -0.65709164 O 1.70960170 1.31143450 -0.16166483 -3.63939486 2.67345171 -0.69309991 O 1.24724415 -0.16490224 1.34907360 0.28230630 0.70733158 0.37542551 O -0.22187219 1.51878885 1.32834452 0.64703855 -0.01502152 0.97476605