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=-5.26102639898134 stress="-54.9449158723469 15.676413032362493 -4.833635286673278 15.676413032362493 -62.22901142795855 3.6454819087292663 -4.833635286673278 3.6454819087292663 -46.54038251952031" pbc="F F F" W -0.12320595 -0.04105180 0.20259391 -18.62771520 -12.16753608 -11.57918244 W 1.56504129 1.20865944 -0.13449789 13.00881695 11.21958085 -16.26768597 W 1.28802619 0.22277084 1.68584377 28.30387663 -31.60880541 21.50777328 W 0.18362810 1.69581920 1.64685009 -22.68497838 32.55676065 6.33909513