108 Lattice="12.026448679507862 0.0 0.0 0.0 12.026448679507862 0.0 0.0 0.0 12.026448679507862" Properties=species:S:1:pos:R:3:forces:R:3 energy=-509.4608492672541 stress="-2.9992925630015677 0.3932761926603838 0.6074197377464143 0.3932761926603838 1.9409267661165686 6.657426675115225 0.6074197377464143 6.657426675115225 2.663865886375671" pbc="F F F" Zr -0.00351974 -0.00328877 0.00029523 1.13079962 1.15201101 1.20006874 Ni 1.98792983 2.04314914 -0.01322629 -0.45483540 -0.28980066 0.89348242 Ni 2.01333659 0.03509555 2.03477628 -0.38633277 0.75638105 -0.44720902 Ni -0.00324021 1.97650441 1.97183711 1.20069782 0.06420753 -0.03022306 Ni 4.02871248 0.01762850 0.00685404 -0.49205144 0.64594377 0.54770110 Zr 5.99487550 2.04416067 0.01544115 -0.39990114 -0.41993098 -2.13260886 Zr 6.00555054 -0.01537466 1.96704221 -0.47924169 -2.78576270 -0.88421479 Zr 4.00735824 2.03439588 1.97245518 -2.81148405 0.46465622 0.23527007 Zr 8.03934737 -0.00219139 -0.00093203 1.29179014 -0.67737698 -0.70299860 Ni 10.04312705 2.00536431 -0.01077800 -0.49552606 -0.25143980 0.60881669 Ni 9.98563934 -0.00495807 2.04129983 -0.50857842 0.73558800 -0.19874613 Zr 8.04488335 2.01864542 1.96454082 1.10106444 0.44266027 -0.09172537 Ni -0.01114533 4.02755347 -0.02137007 1.22465484 -0.11606198 1.01887835 Ni 2.04709178 5.96422785 0.03034619 0.07474442 0.26143308 0.87472625 Ni 2.03686589 3.97984405 2.01431336 -0.46177955 0.09512978 0.08693681 Zr 0.02293052 6.05370501 2.00689920 0.88314544 -0.23548078 -0.03775667 Zr 3.97729404 3.99340447 -0.01303781 -1.70794428 1.00671423 -0.24686095 Zr 5.97426975 6.05171639 0.01701777 -0.66403854 0.69956542 0.67122493 Ni 6.00139420 3.96989000 2.01062989 0.17638232 0.58427469 0.17090306 Ni 3.98969641 6.02123213 1.96931622 -0.73203782 -0.04100972 0.02063954 Zr 7.99040948 4.01324699 0.00720290 0.97891255 0.86731390 -1.18290879 Ni 10.01641583 6.03273463 -0.00014915 -0.72285845 0.28440922 0.61973458 Zr 10.02369053 4.00189859 2.00131841 0.99241428 1.79852227 -0.06360426 Ni 8.05012667 5.97650327 1.96145089 0.12275344 0.05597911 -0.03143386 Zr 0.00085978 8.01378180 0.00218963 0.99654302 -0.01620327 -0.50277214 Ni 1.99271735 10.02660450 -0.01869323 -0.13335401 -0.78180062 0.87470836 Ni 2.04078819 8.02264556 1.97252208 -0.36079212 -0.20350950 -0.42885944 Zr -0.01858558 10.05487911 2.02014398 0.14112427 -0.18267327 -0.00732330 Ni 4.01096990 7.97778617 0.02776385 -0.55603684 0.01816046 0.90902978 Ni 6.04690901 10.05522104 -0.00441685 0.14161952 -0.74108858 0.48776495 Ni 6.02671397 8.01262167 1.97352399 -0.07424219 0.27803796 -0.74626217 Zr 3.99107927 10.02113610 2.03547618 0.25968658 0.26774915 -2.72552744 Zr 8.04330948 8.03172016 0.00008548 -0.86317027 -0.92993696 -1.04948209 Zr 10.00584604 10.01871804 0.02785315 0.85510546 0.84845884 -0.78214402 Zr 9.98784819 8.04075620 2.00545404 1.93999183 -2.54824151 -0.01238260 Zr 8.01484752 10.03610136 1.98922874 -1.67772966 2.05469707 -0.74101642 Zr -0.01683979 -0.03452857 3.97313792 1.08202829 0.40499324 -0.77044872 Ni 1.99354629 2.00398648 3.98464042 -0.05814926 -0.22965252 -0.24265306 Ni 2.03530008 0.00884503 5.97528833 -0.02178166 1.00573818 0.50835815 Zr -0.00112279 2.02635895 6.00335425 -0.13380847 -1.46221712 1.82484809 Zr 3.99928058 -0.02320983 4.00866625 -2.56241584 -0.76702799 0.88765473 Zr 6.03938169 1.96927356 3.95293423 -0.99829839 2.62616253 -0.01295051 Zr 5.99313607 -0.01823708 5.97455327 -0.98652658 -1.04862997 2.79191045 Ni 4.04306497 2.07563871 5.99417294 -0.55718876 -0.38253128 0.40459794 Zr 8.00176966 -0.02741683 4.05555008 1.89897870 -2.85425559 -0.28550671 Zr 9.98411754 2.05656895 4.03498125 1.85920472 -0.21684961 0.80293149 Ni 10.04334085 -0.03448376 6.04092932 -0.62719198 0.53866885 0.60076437 Zr 7.98421941 1.96530428 6.01941193 1.90871775 1.05498412 2.97693088 Zr -0.00362137 3.99080222 4.04224112 -0.10297669 -0.73095564 -2.26427280 Ni 2.04579361 6.04141087 3.99174079 -0.13495495 0.34203440 -0.61694612 Zr 1.99132129 3.99298150 6.01750933 1.88618253 -0.94378022 0.76865436 Zr 0.01284870 5.97945351 6.02436567 -0.14171756 2.27225306 0.90934244 Ni 4.03317694 4.00549420 3.98116346 -0.91011715 -0.19869498 -0.72470131 Zr 6.00772790 6.04605730 4.02482072 0.93591095 -2.17061355 -3.14195601 Zr 6.00566285 3.99521551 5.97504478 0.32014763 -0.87849911 0.76955600 Zr 3.97159152 6.03936747 5.99616320 -2.76943939 -1.11650528 0.36754080 Ni 8.03248107 4.03636922 4.02372472 0.50958930 0.55058928 -0.21863608 Ni 9.99058748 6.01487684 4.02841198 -0.73269173 -0.29057931 0.39391232 Ni 10.04646528 4.02752051 6.00318073 -1.11632159 -0.01086181 -0.03820614 Ni 8.03042460 6.05762173 5.99952818 0.87950586 -0.23487621 0.35786925 Ni 0.00083681 8.04359459 3.97119257 0.77661842 -0.12136886 -0.19790863 Zr 1.99984732 9.95752976 4.02192279 -1.96559096 0.10512298 0.81120694 Ni 2.01877619 8.02247018 6.00998642 -1.00836858 0.13156668 0.41184277 Ni -0.01624264 9.98392998 5.99486751 0.83033366 -0.93991986 0.21328237 Zr 4.04467923 8.05158097 4.02434500 -2.09147818 -1.84216230 -2.24802037 Zr 6.01311148 10.02664056 4.02825093 0.36205711 2.39601728 -1.15768024 Zr 6.02642885 7.99904496 6.04595025 2.22029272 -0.34104820 1.08440680 Zr 4.03371658 10.02122194 5.97394543 -1.81882688 2.23999227 1.25856750 Zr 7.98213959 7.98258065 3.95040642 1.29130335 -2.33911594 0.11256666 Zr 10.01729718 10.02363993 4.00316550 1.67379080 0.99698761 0.56693283 Ni 10.04543650 7.99901307 6.02784637 -0.56286916 0.08805813 0.11158684 Zr 8.03836461 10.01498893 5.98232622 1.64194411 0.85226666 1.94722487 Ni 0.00331757 -0.01419016 8.04037621 0.76408745 0.80229499 -0.12873096 Ni 1.97262415 1.99207080 8.02390225 -0.01730707 -0.45387951 0.24301173 Zr 1.94893583 -0.01574598 9.98518955 0.29245259 1.06582230 -1.05023845 Ni -0.02336559 2.00893099 9.99518456 0.84000033 0.18124103 -1.06685822 Ni 4.02168234 -0.02554137 7.97351229 -0.37317109 1.06015050 0.05240873 Ni 5.98428279 1.99236233 8.04777711 -0.37313247 -0.03966094 0.42290202 Zr 5.98918888 0.01199659 10.05572861 -0.53146335 0.11487664 -1.12560080 Ni 4.01814377 2.01655951 10.02469099 0.19364574 -0.22711652 -0.98132155 Ni 8.06005849 -0.03732875 7.98108000 0.24951850 0.57662307 0.12267630 Ni 10.01425031 1.96307237 8.03221231 -0.82995859 0.17887047 -0.07743394 Zr 10.03720747 0.00006228 9.99279673 -0.28346388 0.27041151 -1.05335169 Zr 7.98951040 2.01009366 10.02482933 0.07885878 1.33600923 -0.85712261 Ni -0.03811075 4.04383706 8.03380730 0.70542934 -0.33637943 0.10466679 Ni 1.97448765 6.03717903 7.98975881 -0.20504594 -0.09415224 0.40638442 Zr 2.02990266 4.02296651 10.03587069 0.77818539 -0.95761091 -0.84142529 Zr 0.01310807 5.95760005 10.05252795 -0.64474456 0.26845524 -0.87126725 Ni 4.02406330 4.03072712 7.99208119 -0.14831001 -0.57110057 0.69459237 Zr 6.04826189 5.97515775 8.00475882 0.58932878 -1.82390865 1.30468239 Ni 6.02822248 4.02045913 10.04712329 -0.40096971 -0.26436008 -0.80081942 Ni 3.96450538 6.02321454 10.03957417 -0.07738216 -0.41950425 -0.66650656 Ni 8.04544810 4.01630893 8.06998198 0.27921037 -0.49083090 0.03821086 Zr 9.97880554 5.98009353 8.02161823 0.22214222 0.22639542 -1.11699071 Ni 10.00668003 4.03301126 9.99798089 -0.58044778 -0.46370127 -0.67587232 Zr 8.04760851 6.03666040 10.00089747 0.54902363 -0.64621094 1.28874333 Ni -0.03440486 8.02765165 7.97770385 0.91819077 0.34330924 0.22004401 Ni 2.02218735 10.05125738 8.03567912 -0.33145523 -0.55169825 -0.09669561 Zr 2.00019878 8.02213345 10.00004472 0.32036876 0.22832851 0.21626359 Zr -0.01659079 10.04690738 10.00548231 0.35076891 -0.33668981 -0.96373847 Zr 3.97109861 8.02740012 8.04772589 -2.66228555 0.10942979 0.79116533 Zr 5.99118467 10.03032200 7.99478084 1.05968043 2.01522103 1.65952563 Zr 5.96903458 7.98437812 10.00173929 0.26961684 0.97177127 1.88181961 Ni 4.00874668 10.05482270 9.99592121 -0.42890856 -0.33777252 -0.50105674 Ni 7.99515706 8.00227920 8.07048706 0.90099512 0.66362377 0.09560483 Ni 10.02932154 10.03564921 8.04785226 -1.10739238 -1.22199534 -0.06930029 Ni 10.05752584 7.97657628 10.01151899 -0.94210534 0.28344580 -0.80333676 Ni 7.98544488 10.02413744 10.01241720 0.27065226 -1.10657330 -0.93146210