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=33.782367375 stress="-7.386499786690158 1.2022692941403568 -0.2320994307346778 1.2022692941403568 -8.023328331296783 -0.03749390703618782 -0.2320994307346778 -0.03749390703618782 -7.334267878988284" pbc="F F F"
In      -0.12320595      -0.04105180       0.20259391     -14.37309339     -10.79229927      -9.61585823 
In       1.56504129       1.20865944      -0.13449789      11.34135599       8.21954336     -13.85773352 
In       1.28802619       0.22277084       1.68584377      17.55758059     -19.09641031      15.78501925 
In       0.18362810       1.69581920       1.64685009     -14.52584320      21.66916621       7.68857250