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=-10.609170972000022 stress="0.5110984831345919 -0.00044439558775415366 0.004732769725692994 -0.00044439558775415366 0.8512788141615378 -0.08115129097580288 0.004732769725692994 -0.08115129097580288 0.951413321743695" pbc="F T T"
O       0.01601049      -0.19417424       0.13271682       4.36742310      -2.00443846      -1.26478183 
O       1.67864196       1.63172768       0.08094013      -4.41545072       4.64455434      -3.59895550 
O       1.66638944      -0.27178287       1.78167170      -4.24114536      -4.83992008       3.43936698 
O       0.14216659       1.43682887       1.72289170       4.28917299       2.19980420       1.42437035