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=0.460746689752222 stress="-1.0036006296649904 0.08832140234718214 -0.0321398536346843 0.08832140234718214 -1.0496131981519632 -0.002442484628504493 -0.0321398536346843 -0.002442484628504493 -1.0482935002785965" pbc="F F F"
H      -0.12320595      -0.04105180       0.20259391      -0.38901406      -0.29177491      -0.25589213 
H       1.56504129       1.20865944      -0.13449789       0.30649122       0.22549085      -0.37175501 
H       1.28802619       0.22277084       1.68584377       0.41728328      -0.44308652       0.42300934 
H       0.18362810       1.69581920       1.64685009      -0.33476044       0.50937059       0.20463779