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=-2.55138154472 stress="0.7292363704194376 0.09547433926496104 -0.12153717887374839 0.09547433926496104 0.7797645450569134 0.0949565490578284 -0.12153717887374839 0.0949565490578284 0.9586707345877479" pbc="F F F" O -0.23283931 0.19410236 -0.16903503 1.62109355 1.47608290 1.19719097 O 1.38201197 1.43300593 -0.27997518 -2.04317429 -0.85786245 2.07908548 O 1.27696427 -0.08338442 1.46512192 -0.71934853 1.10673181 -1.15205968 O 0.22586561 1.79391194 1.22614529 1.14142927 -1.72495226 -2.12421676