16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-64.17830120562766 stress="-70.02243764759781 -1.4641116225913162 -6.119930950597648 -1.4641116225913162 -72.61827328094421 2.5154393454737356 -6.119930950597648 2.5154393454737356 -71.98827981305568" pbc="F F F" Zr -0.12496328 0.12056598 -0.25809906 0.27794366 -1.10220463 -0.28219624 Zr 1.59073906 1.77219963 1.43381326 -6.58463919 -7.49340233 -7.52286741 Zr 3.41320158 0.25978669 -0.27407488 -0.50095201 -1.25364575 -1.86095270 Zr 4.28504734 1.68365717 1.70288723 10.77098157 -0.10031614 -4.35600441 Zr 0.08343331 2.79585403 -0.05190546 -4.67213292 2.97767038 -4.66897924 Zr 1.72094491 4.73171545 1.68190327 -2.57010292 6.31269080 -2.26404180 Zr 2.82183498 3.21219253 -0.07514625 2.02223257 1.89813487 -5.42364530 Zr 4.62990665 4.28220450 1.79279389 2.56295598 2.17849049 -0.47055959 Zr 0.06210000 0.13362859 2.81156281 -2.18564573 -2.45235440 0.13218189 Zr 1.57034430 1.65022594 4.55473499 -1.90601868 -1.76754999 5.43282919 Zr 2.79354433 0.13661615 2.62384419 -0.30726102 -10.78767037 4.22143011 Zr 4.37719504 1.29951608 4.61041876 1.73671655 -0.07975950 1.70797461 Zr -0.23264389 2.83533445 2.74148635 -4.11068042 1.82035529 1.42852520 Zr 1.58611608 4.53369179 4.52598936 -1.58108344 1.83801319 1.98895932 Zr 2.72329650 2.96375436 2.90583543 5.69598399 7.68272791 10.82896796 Zr 4.25559716 4.44802570 4.65373720 1.35170202 0.32882019 1.10837842