32 Lattice="8.03870578822364 0.0 0.0 0.0 8.03870578822364 0.0 0.0 0.0 8.03870578822364" Properties=species:S:1:pos:R:3:forces:R:3 energy=-137.23465285862952 stress="1.1622960498904156 -0.45134923334960675 -3.1607546372400863 -0.45134923334960675 0.28504670328432447 -4.971324039600354 -3.1607546372400863 -4.971324039600354 -6.701312612580949" pbc="F F F" Ni 0.12027217 -0.19980423 0.20708119 0.77122615 0.80968242 0.44762937 Zr 2.22560887 2.02798893 0.16564762 -1.28644398 0.14994148 -2.37793661 Zr 2.10035406 0.11041880 2.09326938 -1.85871527 -2.17279258 -1.21659065 Ni 0.04535483 1.88827536 1.82644071 0.50740709 0.35729447 0.28227982 Ni 4.03515212 0.04826276 -0.22177087 0.04872102 0.44192014 0.83863384 Zr 5.90148216 2.06470468 0.00577797 0.08854570 -0.94622067 -1.82347547 Ni 6.16654395 0.18816732 1.92098719 -0.68435855 0.48475069 0.30396710 Zr 4.17671253 2.00930874 2.04562616 0.82178087 -0.75401456 0.36489520 Ni -0.04306514 4.03802564 -0.02777298 1.24081562 -0.12082055 1.22712875 Ni 2.23587555 5.94815716 0.18834961 -0.59662690 -0.57226943 -0.02581352 Zr 2.21600284 4.11117208 1.94732809 -2.22127584 1.08917456 -0.66823285 Ni -0.21113731 6.01821675 1.96682549 1.27096924 -1.08480446 0.36438989 Ni 4.21413270 4.12158045 0.24308173 -0.27020274 0.35656539 -0.41509698 Ni 6.00288769 5.98428465 0.03209238 -0.60981172 -0.84588402 1.06094232 Zr 6.15388760 3.80931445 1.86742192 0.61544533 1.90721919 1.14058078 Ni 3.84225164 6.04627965 1.90962481 1.23934218 -0.36269738 0.24010026 Ni 0.23413080 -0.14612844 4.23609411 -0.24933921 0.20386710 -1.10961404 Zr 1.90697623 1.86159699 4.25652550 -1.10535768 0.99250312 1.14500815 Ni 1.80423076 -0.19356292 5.84332673 0.59904291 0.40438926 0.47878191 Ni -0.21654258 1.81967313 5.80106525 0.52986061 0.24045751 -0.10003091 Zr 3.84890524 -0.04872093 4.11846908 1.70671332 -0.97335525 1.57312205 Ni 5.59779304 1.87538911 4.05207639 0.41854717 -0.01282697 0.91778826 Zr 6.22077971 0.07972240 6.13343752 -0.92801270 1.52399941 -0.68729588 Ni 3.92019365 2.15825101 6.20555343 0.44754340 -0.59745578 -0.53376407 Zr -0.17248480 3.94529839 4.07981437 -0.53056910 -0.59112295 -1.37031945 Zr 2.17829311 6.03951919 4.16028071 -0.83677890 1.73296072 -1.24586091 Ni 1.82055220 4.12240079 5.95296569 0.14378979 -0.42989308 0.24549309 Zr -0.02894248 5.77328175 5.91981350 -0.14563004 0.48507364 0.92862660 Zr 3.88434359 4.04634275 4.42555489 0.35353653 -1.83315720 -0.97833783 Zr 5.67875453 6.13684330 3.81783694 0.56829131 0.69464891 -1.24347138 Zr 6.10502638 3.84969354 6.13898204 0.95163777 -1.61693348 -0.10590260 Zr 4.25196650 5.90622664 6.18313385 -1.00009336 1.03980033 2.34237578