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=0.06118827337850695 stress="-1.5038768415181458 -0.056435144036508615 0.6423228735551672 -0.056435144036508615 -0.3182016573780359 -0.04600470921428273 0.6423228735551672 -0.04600470921428273 -1.093747092026003" pbc="F F F" Kr 0.29352093 -0.16017765 -0.07936137 -0.29859708 -0.13554453 -0.19573897 Kr 1.41846248 1.57651571 0.11525363 0.87205578 0.12033623 -0.68073273 Kr 1.78834275 -0.22676576 1.29784108 0.19598168 -0.04147582 0.21484472 Kr -0.00527722 1.71782139 1.32678326 -0.76944038 0.05668413 0.66162697