32 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=189.75133075775778 stress="-688.3958325748197 -10.364032453807553 37.9766595709612 -10.364032453807553 -713.9267688926245 -13.036779276454808 37.9766595709612 -13.036779276454808 -720.6002137879663" pbc="F F F" Zr -0.01546661 0.10170120 -0.12206635 -15.93009963 -18.14344363 -14.78592661 Zr 1.21904386 1.48356292 0.24624097 22.17475328 4.07560092 -28.22469843 Zr 1.64302402 -0.14501107 1.61042859 16.84900600 -26.95695252 -8.53200496 Zr 0.20947124 1.35512851 1.55280714 -31.86736686 25.79457811 3.90261517 Zr 2.77399550 -0.15344509 -0.12758765 2.45089021 -13.17473965 -14.99195500 Zr 4.32230844 1.41049160 -0.27713580 18.59891958 -7.85945853 -10.82406503 Zr 4.43858073 -0.24794580 1.82578394 19.38576443 -17.93908514 -9.06826907 Zr 3.05988540 1.20245745 1.66431082 -8.43320015 17.56607123 -9.39992044 Zr -0.18574270 2.98844065 0.03277713 -27.96704766 -6.21912173 -23.06253332 Zr 1.39971974 4.37366136 -0.03902326 -0.76614949 22.59763721 -43.89687509 Zr 1.28219307 3.21813893 1.26716069 32.26396482 -35.50523249 22.09757550 Zr 0.19410236 4.33096497 1.38201197 -42.87557104 41.36626641 1.58412730 Zr 2.90311716 2.72002482 -0.22303573 -2.68959798 5.74189635 -11.85833274 Zr 4.41661558 4.46512192 0.22586561 19.10112833 7.30578160 -13.36956360 Zr 4.79391194 2.72614529 1.52103145 15.82490160 13.99854499 -19.07335116 Zr 2.77761356 4.68220204 1.09583159 7.15685501 16.31894802 16.29015838 Zr 0.23573857 0.02724172 2.49294035 -38.49378426 -39.55489446 19.41021419 Zr 1.20296332 1.34887301 3.22083292 26.16184145 7.37416359 -20.82226010 Zr 1.14526397 -0.01264569 4.42299150 1.83684612 -25.21059457 24.16500088 Zr -0.09301634 1.68107110 4.32825321 -45.43775504 -9.50457905 22.32810955 Zr 3.13102478 0.09995250 3.26120756 -12.41677606 -40.94470661 -11.81894886 Zr 4.51193751 1.75226748 2.86349146 21.85882536 -11.10313021 15.78321837 Zr 4.54396501 0.07236142 4.70379337 23.46611904 -16.26542471 16.07100643 Zr 3.23854596 1.26922180 4.28229695 -15.64767764 33.97970067 34.74358001 Zr 0.02031036 3.44980682 3.02015752 -29.68385757 -13.07856002 -12.48611827 Zr 1.37970777 4.77711528 2.87871118 15.67486614 24.29691127 7.82196259 Zr 1.25213077 2.73125112 4.21824351 33.96856753 15.65091830 23.01242584 Zr 0.13616082 4.26429260 4.62968218 -11.58744133 21.44915835 28.21651525 Zr 3.21980528 3.29977655 3.18543805 -23.49037833 -12.41076490 -14.10638315 Zr 4.45460942 4.57327937 3.04827820 20.42523623 25.89933115 -6.86899355 Zr 4.62961200 3.08431214 4.65720406 19.01747837 -4.83320686 18.44210764 Zr 2.97776577 4.38507600 4.79768454 -8.92926043 15.28838691 19.32158228