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=4.245543263373194 stress="-24.09864777449349 1.9338075150243037 -20.203496200573323 1.9338075150243037 -7.122797725996965 -1.5491980643019287 -20.203496200573323 -1.5491980643019287 -26.985154038836345" pbc="F F F" Kr 0.22340815 0.08392085 0.28268812 -20.45012054 -2.76191859 -23.26686397 Kr 1.54284858 1.32335071 -0.02503849 1.20408995 1.51069960 -0.90813862 Kr 1.22164413 0.07987885 1.37319441 21.97342470 -3.02953621 21.91671004 Kr 0.01248892 1.30757086 1.52494762 -2.72739410 4.28075521 2.25829254