16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-64.17741648903254 stress="-0.0009452591408620047 -1.976867212910557e-05 -8.261120454319267e-05 -1.976867212910557e-05 -0.0009802935667516943 3.394541879456777e-05 -8.261120454319267e-05 3.394541879456777e-05 -0.0009717956543874248" pbc="F F F" Zr 20.87503672 21.12056598 20.74190094 0.27773734 -1.10240341 -0.28240031 Zr 22.59073906 22.77219963 22.43381326 -6.58544928 -7.49423965 -7.52390895 Zr 24.41320158 21.25978669 20.72592512 -0.50072003 -1.25389355 -1.86123587 Zr 25.28504734 22.68365717 22.70288723 10.77178331 -0.10066027 -4.35627585 Zr 21.08343331 23.79585403 20.94809454 -4.67256286 2.97788530 -4.66941700 Zr 22.72094491 25.73171545 22.68190327 -2.57034175 6.31346548 -2.26432356 Zr 23.82183498 24.21219253 20.92485375 2.02249237 1.89845608 -5.42433412 Zr 25.62990665 25.28220450 22.79279389 2.56344723 2.17884384 -0.47077516 Zr 21.06210000 21.13362859 23.81156281 -2.18600877 -2.45274249 0.13239902 Zr 22.57034430 22.65022594 25.55473499 -1.90630271 -1.76788282 5.43352539 Zr 23.79354433 21.13661615 23.62384419 -0.30699058 -10.78845553 4.22164401 Zr 25.37719504 22.29951608 25.61041876 1.73701194 -0.08000796 1.70828546 Zr 20.76735611 23.83533445 23.74148635 -4.11141896 1.82053811 1.42874922 Zr 22.58611608 25.53369179 25.52598936 -1.58132749 1.83841908 1.98938423 Zr 23.72329650 23.96375436 23.90583543 5.69668330 7.68360066 10.83000228 Zr 25.25559716 25.44802570 25.65373720 1.35196694 0.32907713 1.10868122