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=0.5182745373824197 stress="-3.960978238930362 1.6478172872530341 -0.8509277581238135 1.6478172872530341 -3.610729939616036 -0.4688158212600033 -0.8509277581238135 -0.4688158212600033 -2.492953289695193" pbc="F F F" Kr -0.05882150 0.10170767 0.20750062 -1.74768105 -0.38377826 -1.36226382 Kr 1.50851477 1.23995244 -0.09704991 0.45700502 0.53872281 -0.37426738 Kr 1.30954842 -0.08669766 1.38419617 2.69522470 -2.32094127 0.84484127 Kr 0.25684340 1.28372877 1.76056179 -1.40454867 2.16599671 0.89168992