32 Lattice="7.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 7.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=30.614660913355586 pbc="F F F" Zr -0.14459490 0.11115480 0.11044915 40 -5.89565254 -10.38331652 -11.10816814 Zr 1.95960170 1.56143450 -0.16166483 40 -5.03116556 6.74313625 -10.68598564 Zr 1.53829595 -0.16490224 1.92410596 40 6.76901363 -18.94927106 -8.04432243 Zr -0.22187219 1.76878885 1.57834452 40 -14.34024897 6.33074407 0.22903552 Zr 3.40278341 -0.04105180 0.20259391 40 -1.32009595 -18.07070803 -6.64668516 Zr 5.31504129 1.18195593 -0.13449789 40 11.13933356 7.48453416 -12.37186184 Zr 5.03802619 0.22277084 1.93584377 40 13.39244203 -32.49384706 -20.81836316 Zr 3.68362810 1.94581920 1.86060445 40 -15.37784838 -11.86773556 -2.49779354 Zr 0.26959405 3.67626233 -0.14597521 40 -11.94648106 -8.41083264 -19.08076367 Zr 1.95996341 5.24207130 0.15300231 40 -4.93790313 21.24057498 -22.54327349 Zr 1.78848316 3.45774659 1.57435701 40 -4.49182627 -13.45196341 3.57611025 Zr -0.04210664 5.13825682 1.52041603 40 -13.18884808 18.67059699 2.50808154 Zr 3.69178619 3.67895518 0.29140871 40 -5.94546529 -15.04697643 -44.30991946 Zr 5.36455359 5.28253581 0.14904689 40 10.04496234 12.47521907 -8.49471656 Zr 5.03091226 3.60609294 1.71603997 40 41.43702084 -5.11383178 8.43800989 Zr 3.30598025 5.07157598 1.76361598 40 7.02875495 35.51925769 13.14221666 Zr -0.14801295 -0.02432459 3.56329927 40 -20.70402224 -13.72163778 -3.09783971 Zr 1.44305158 1.52846858 3.19629901 40 11.62918738 14.36826244 10.30566187 Zr 1.59126820 -0.15859300 5.06668137 40 4.43331952 -15.69075904 9.39063061 Zr -0.08013605 1.49396547 5.34073906 40 -8.29307870 9.17028132 9.97973621 Zr 3.77219963 -0.06618674 3.63132919 40 -13.14098297 -14.26391398 7.99087127 Zr 5.50978669 1.47592512 3.28504734 40 22.47651839 24.68382445 16.95167833 Zr 5.43365717 0.50163549 5.33343331 40 6.46877447 -4.54444568 13.05070714 Zr 3.06876375 1.57899641 5.47094491 40 3.00379438 7.02871846 7.33179612 Zr 0.23171545 3.68190327 3.18320157 40 -17.59448569 -6.49492104 9.94766476 Zr 1.96219253 5.17485375 3.62990665 40 -7.31451579 24.36138447 -9.54334615 Zr 1.53220450 3.78278197 5.31210000 40 9.30366552 -32.51734905 14.88558267 Zr 0.13362859 5.07702941 5.32034430 40 -26.78326136 22.77868255 6.85862425 Zr 3.54852473 3.55473499 3.41561068 40 -8.28278538 -13.21331742 10.13285055 Zr 5.38661615 5.15480033 3.43555039 40 11.30274733 17.73218837 -1.31642912 Zr 5.04869006 3.61041876 5.01735611 40 17.05646803 -12.63772652 17.09144158 Zr 3.33533445 4.99148635 5.33611608 40 9.10266501 18.28514773 18.74876884