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=3.618290286526919 stress="-0.5658062417536117 -0.019259189901575654 -0.22908190751926885 -0.019259189901575654 -0.6129885852074011 -0.13847153131447515 -0.22908190751926885 -0.13847153131447515 -0.7724668456970145" pbc="F F T" Kr 0.10017630 0.08834765 0.14106865 -5.40400447 -4.95735075 1.84536774 Kr 1.20767037 1.28728592 -0.10139344 11.63875331 9.43341789 15.49716271 Kr 1.34598062 0.16054315 1.77995258 2.55323170 -8.24178585 -8.14484459 Kr 0.19051661 1.63801886 1.75016513 -8.78798054 3.76571870 -9.19768586