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=29.1612288734 stress="-6.515099898382884 -0.8732265627766391 -0.08411707261630427 -0.8732265627766391 -4.531506082020622 0.29132824392898604 -0.08411707261630427 0.29132824392898604 -6.562406098215966" pbc="F F F"
In       0.27219963      -0.06618674       0.13132919     -14.88862572     -13.44465587      -9.99672593 
In       1.75978669       1.22592512      -0.21495266      11.11688581      12.39246117     -12.44446704 
In       1.68365717       0.20288723       1.58343331      12.08092355      -6.83396246      15.72556220 
In      -0.20414597       1.44809454       1.72094491      -8.30918364       7.88615716       6.71563077