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=5.53909201944 stress="-1.4210321130815968 0.10269890006805601 -0.13503371021946542 0.10269890006805601 -1.9483892683274784 -0.6684335264563235 -0.13503371021946542 -0.6684335264563235 -1.851306349327981" pbc="F F F" O -0.14459490 0.11115480 0.11044915 -2.98281569 -5.75719364 -6.10338365 O 1.70960170 1.31143450 -0.16166483 2.44072507 1.61867902 -1.67576952 O 1.28829595 -0.16490224 1.64041416 2.55098704 -2.17458709 2.98013029 O -0.22187219 1.51878885 1.32834452 -2.00889642 6.31310171 4.79902289