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=1.958870785481623 stress="-0.4932301066416201 -0.10125707152374609 -0.22957525570637152 -0.10125707152374609 -0.383294984887018 -0.016490352690089687 -0.22957525570637152 -0.016490352690089687 -0.4899775350519011" pbc="T T T" Kr 0.26474670 0.10229049 0.24494322 -9.21940741 -3.75502419 -8.66709609 Kr 1.28171506 1.49029028 -0.03848865 2.98764638 3.02678497 -2.60364476 Kr 1.39509014 0.31573973 1.34468824 8.09917388 -0.50615868 8.50109561 Kr -0.03745893 1.57545301 1.23187708 -1.86741285 1.23439790 2.76964524