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=6.72808321134 stress="-2.354807373854124 0.6002420927992203 -0.14544818655053945 0.6002420927992203 -2.6501260551869215 0.07326979769950828 -0.14544818655053945 0.07326979769950828 -2.113447816523996" pbc="F F F"
O      -0.12320595      -0.04105180       0.20259391      -4.30887384      -3.01659674      -2.80200099 
O       1.56504129       1.20865944      -0.13449789       3.19296896       2.51475853      -3.96080563 
O       1.28802619       0.22277084       1.68584377       6.20190579      -6.88768880       4.87951206 
O       0.18362810       1.69581920       1.64685009      -5.08600091       7.38952701       1.88329457