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=-2.55805211807 stress="0.2823151172531385 0.33677278942477085 -0.3134062086636476 0.33677278942477085 1.4341502912869966 0.1554245129203847 -0.3134062086636476 0.1554245129203847 1.0210210897023904" pbc="F F F" O -0.17174679 0.13102478 0.09995250 0.27757751 2.69439431 1.63449470 O 1.76120756 1.51193751 0.25226748 -1.53824386 -1.83095151 2.53681779 O 1.46431997 0.04396501 1.57236142 0.90190284 1.77499076 -1.44693039 O 0.20379337 1.73854596 1.26922180 0.35876351 -2.63843355 -2.72438210