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=0.7184213247120982 stress="-0.22154145339097997 -0.22992980288162496 0.08462430609905267 -0.22992980288162496 -0.41206463184057973 -0.13960860850587165 0.08462430609905267 -0.13960860850587165 -0.3262658853200522" free_energy=0.7184213247120982 pbc="F T F"
O        0.04052745      -0.26582914       0.18168807      -2.88153386      -1.64577219      -2.93776477
O        1.64109445       1.29002336       0.11951579       4.20411416      -1.50553061      -2.57546087
O        1.46781377       0.13443557       1.56717778      -0.40520584       6.46569364       0.66100939
O        0.22475079       1.27927999       1.77544140      -0.91737447      -3.31439084       4.85221625