32 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=30.614660913355216 stress="-0.0080958426157435 7.984026223005858e-05 -0.0004172186195345356 7.984026223005858e-05 -0.007755537460208614 -0.00028137399857845627 -0.0004172186195345356 -0.00028137399857845627 -0.008350716294751337" free_energy=30.614660913355216 pbc="F F F" Zr 20.85540510 21.11115480 21.11044915 -5.89565254 -10.38331652 -11.10816814 Zr 22.95960170 22.56143450 20.83833517 -5.03116556 6.74313625 -10.68598564 Zr 22.53829595 20.83509776 22.92410596 6.76901363 -18.94927106 -8.04432243 Zr 20.77812781 22.76878885 22.57834452 -14.34024897 6.33074407 0.22903552 Zr 24.40278341 20.95894820 21.20259391 -1.32009595 -18.07070803 -6.64668516 Zr 26.31504129 22.18195593 20.86550211 11.13933356 7.48453416 -12.37186184 Zr 26.03802619 21.22277084 22.93584377 13.39244203 -32.49384706 -20.81836316 Zr 24.68362810 22.94581920 22.86060445 -15.37784838 -11.86773556 -2.49779354 Zr 21.26959405 24.67626233 20.85402479 -11.94648106 -8.41083264 -19.08076367 Zr 22.95996341 26.24207130 21.15300231 -4.93790313 21.24057498 -22.54327349 Zr 22.78848316 24.45774659 22.57435701 -4.49182627 -13.45196341 3.57611025 Zr 20.95789336 26.13825682 22.52041603 -13.18884808 18.67059699 2.50808154 Zr 24.69178619 24.67895518 21.29140871 -5.94546529 -15.04697643 -44.30991946 Zr 26.36455359 26.28253581 21.14904689 10.04496234 12.47521907 -8.49471656 Zr 26.03091226 24.60609294 22.71603997 41.43702084 -5.11383178 8.43800989 Zr 24.30598025 26.07157598 22.76361598 7.02875495 35.51925769 13.14221666 Zr 20.85198705 20.97567541 24.56329927 -20.70402224 -13.72163778 -3.09783971 Zr 22.44305158 22.52846858 24.19629901 11.62918738 14.36826244 10.30566187 Zr 22.59126820 20.84140700 26.06668137 4.43331952 -15.69075904 9.39063061 Zr 20.91986395 22.49396547 26.34073906 -8.29307870 9.17028132 9.97973621 Zr 24.77219963 20.93381326 24.63132919 -13.14098297 -14.26391398 7.99087127 Zr 26.50978669 22.47592512 24.28504734 22.47651839 24.68382445 16.95167833 Zr 26.43365717 21.50163549 26.33343331 6.46877447 -4.54444568 13.05070714 Zr 24.06876375 22.57899641 26.47094491 3.00379438 7.02871846 7.33179612 Zr 21.23171545 24.68190327 24.18320157 -17.59448569 -6.49492104 9.94766476 Zr 22.96219253 26.17485375 24.62990665 -7.31451579 24.36138447 -9.54334615 Zr 22.53220450 24.78278197 26.31210000 9.30366552 -32.51734905 14.88558267 Zr 21.13362859 26.07702941 26.32034430 -26.78326136 22.77868255 6.85862425 Zr 24.54852473 24.55473499 24.41561068 -8.28278538 -13.21331742 10.13285055 Zr 26.38661615 26.15480033 24.43555039 11.30274733 17.73218837 -1.31642912 Zr 26.04869006 24.61041876 26.01735611 17.05646803 -12.63772652 17.09144158 Zr 24.33533445 25.99148635 26.33611608 9.10266501 18.28514773 18.74876884