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=-8.45409799636 stress="-7.230717718388586 -1.0833330192736996 -0.25332357799593425 -1.0833330192736996 -6.708989354918168 0.08016076662974485 -0.25332357799593425 0.08016076662974485 -8.791590660885099" pbc="F F F" W -0.12320595 -0.04105180 0.20259391 -17.86718944 -13.43634847 -11.26391605 W 1.56504129 1.20865944 -0.13449789 14.00004224 10.86958000 -16.81953114 W 1.28802619 0.22277084 1.68584377 12.50756078 -12.08767607 19.13452853 W 0.18362810 1.69581920 1.64685009 -8.64041358 14.65444454 8.94891865