108 Lattice="12.122825164262476 0.0 0.0 0.0 12.122825164262476 0.0 0.0 0.0 12.122825164262476" Properties=species:S:1:pos:R:3:forces:R:3 energy=-504.91314960230926 stress="-0.0012019740285372914 -0.0030676828725410233 -0.001241753698020322 -0.0030676828725410233 -0.006795048126982628 0.002392901957821527 -0.001241753698020322 0.002392901957821527 -0.0035519179892228793" pbc="F F F" Ni 0.02900454 0.00456715 0.01458385 0.64696023 0.64803003 0.68323282 Zr 2.03766737 2.02160923 0.04876426 -0.84529622 0.13575488 0.20091578 Zr 2.00679555 0.01457320 1.98845275 0.06135209 0.09190894 1.01241155 Ni 0.03260858 2.01604179 2.04465404 0.91176179 0.02827885 -0.07520555 Ni 4.06440994 0.02126587 0.02132677 -0.05396255 0.73128790 0.67553072 Zr 6.08749274 2.03508708 0.00578072 -0.92838016 -1.73541079 -1.68463231 Zr 6.06677153 0.02841792 2.03676140 -0.91665620 -1.73316157 -0.05485714 Ni 4.02087332 1.95478748 2.07388309 -0.23455362 -0.09500083 -0.17209792 Ni 8.08104824 0.03764207 0.03696224 0.15034189 0.38730711 0.37937486 Zr 10.13747384 1.97281797 0.01669712 0.50621700 0.33829878 -0.57131008 Zr 10.10246728 0.01431738 2.03546543 0.02240391 -1.56943431 0.05548503 Zr 8.11832582 1.98558423 2.05892743 1.01399647 -0.59294983 -0.42520313 Ni 0.01832494 4.00784480 0.00940428 0.92025471 0.07499190 0.90476210 Ni 1.96680765 6.05600590 0.01431357 0.27662992 -0.25132586 0.84004679 Ni 1.97923401 4.05444787 2.03069122 -0.08863795 -0.30409437 -0.38970175 Zr 0.03160051 6.04487209 1.98978436 -1.04420589 -1.78876083 -1.54872707 Zr 4.02634162 4.03774833 0.01698541 -0.74344975 1.69572944 0.26185796 Ni 6.07508563 6.12888307 0.03295296 -0.35358858 -0.16183428 0.32186027 Zr 6.09477557 4.03660579 2.02361068 -1.86051288 2.01353043 -0.41544418 Ni 4.00893168 6.02927280 2.04254257 -0.11814546 0.27307392 -0.51721502 Zr 8.11470684 4.03439291 0.00834276 0.89523446 1.63956883 -1.49599780 Ni 10.09436523 5.99827840 0.00408853 -0.57487354 0.19230331 0.85278229 Ni 10.10881833 4.00927360 2.05939507 -0.28874269 -0.03214525 -0.50758198 Zr 8.13749785 6.10045263 2.03416893 -0.12830883 -1.27580084 -1.38376075 Zr 0.04767279 8.06018547 0.01873807 -0.02926137 0.87806314 -0.67300564 Ni 1.98147318 10.10953618 0.03653052 -0.10446355 -0.68591713 0.58126488 Zr 1.99908713 8.08004336 2.01938493 2.04373719 1.01534870 -0.85857428 Ni 0.02825654 10.14185456 2.01488470 0.87876935 -0.71744981 -0.09756890 Ni 4.05764306 8.08493156 0.01644036 -0.07400520 -0.12863851 0.68660154 Ni 6.09533376 10.07742737 0.02068777 -0.07179192 -0.66064816 0.67377550 Zr 6.02838855 8.07910223 2.03909989 -2.61217470 -1.90316896 -0.83253349 Zr 4.02266940 10.09696264 1.99040732 -0.77042111 0.78636717 -0.76823384 Zr 8.04208013 8.11481573 0.03116115 -0.48039998 -0.90568223 -2.56368425 Zr 10.09409272 10.12042242 0.02030482 0.58654558 0.60451421 -0.57665914 Zr 10.09145093 8.09398289 2.03823708 2.72995291 0.42508467 -0.37789827 Zr 8.04673522 10.12161856 1.97839795 0.21515168 2.46011624 0.14248853 Ni 0.02471302 0.02129822 3.98929727 0.87380306 0.98233988 0.08467686 Ni 2.05877583 1.99582987 4.01530033 -0.37789591 -0.20676914 -0.27899876 Ni 2.05595772 0.03912902 6.07807080 -0.10560578 0.41427170 -0.29723496 Zr 0.05569236 2.02015470 6.06494086 -0.26348658 -0.69783791 -1.90345953 Ni 4.05323919 0.00458782 4.09891993 -0.14566058 0.57562423 -0.17062578 Zr 6.07320637 2.02789192 4.02856401 0.00838004 -2.97723783 1.03111344 Ni 6.02985305 0.03175845 6.05615756 0.26090811 0.72430698 0.14363530 Zr 4.02605517 1.98928126 6.04633349 -1.52327572 -2.78948896 -0.97505013 Ni 8.12370609 0.02227548 4.02275373 0.03640799 0.44541974 0.54042567 Zr 10.09196708 2.01513083 4.06073775 0.97857361 -0.03215549 1.80996398 Ni 10.10943550 0.00246382 6.07519614 -1.06547036 1.05494706 -0.15616004 Ni 8.10787375 1.98108817 6.04227290 0.42171974 -0.60534037 0.40462556 Zr 0.03305773 4.06585634 4.03529530 -0.16550488 -2.00917412 -0.92384394 Zr 2.02753625 6.07487427 4.01764510 2.73271325 0.03855238 0.93206269 Ni 1.98522529 4.03428830 6.05739011 0.20886919 0.08146876 -0.25832676 Zr 0.02913209 6.02117415 6.06518694 -1.15641290 1.02229984 0.79480420 Zr 4.07083037 4.01326275 4.04201396 -2.06407384 1.18838340 -1.02150236 Ni 6.09510487 6.03777173 4.06988130 -0.76282329 0.68867711 -0.02195169 Zr 6.09243554 4.00806367 6.08511461 -0.07793315 0.80221640 -0.83233842 Ni 4.06017283 6.06980072 6.05419578 0.19947911 0.33593492 -0.35669112 Zr 8.07385900 4.02959599 4.06807367 1.32112600 0.06105864 0.66090202 Zr 10.10152196 6.04010300 3.98319519 2.79255896 -1.86238164 0.16866549 Ni 10.08526750 4.07765789 6.07335496 -0.57572985 -0.20925474 0.44647794 Zr 8.08247011 6.03095728 6.08408291 0.36266877 1.21377137 0.70459438 Zr 0.03256635 8.10394670 4.04161246 -0.98194907 2.42300410 1.01021861 Ni 2.02318527 10.09091904 4.04299778 0.06495407 -0.96985018 0.21660014 Ni 2.04976080 8.04552469 6.00769177 -0.07216484 0.54474560 -0.11593824 Ni 0.01415928 10.12311194 6.08902566 0.80370216 -0.94854376 -0.11605414 Ni 4.05781108 8.08311378 4.05330666 -0.10571932 0.09130715 0.66895862 Zr 6.04911682 10.08566433 4.03168801 -0.79362635 0.80147706 2.58720516 Ni 6.08216521 8.10601685 6.04178615 -0.21256060 0.06314192 0.07247230 Ni 4.04573669 10.09051185 6.05528759 -0.19310639 -0.88783355 -0.22895376 Zr 8.11319082 8.06370198 4.01730607 -0.90968569 1.34303780 2.00785307 Ni 10.13286885 10.14143790 4.06937462 -0.78865481 -0.72543999 -0.20124220 Zr 10.12728346 8.05600777 6.03708532 0.72353514 1.60877856 1.81823866 Ni 8.08671643 10.06591691 6.05092687 0.24509751 -0.75293244 0.25907786 Zr 0.03964736 0.03612649 8.05162773 0.02334301 -1.36339077 0.20560493 Zr 2.04321912 2.05682020 8.05188746 1.44286050 -1.16505652 1.43083010 Ni 2.01302106 0.00358314 10.09557650 0.12751807 0.91142246 -0.86857975 Zr 0.03514965 2.06278954 10.10767260 0.10787793 -0.02863325 1.27108887 Ni 4.05680997 0.01264947 8.02497044 -0.14073711 0.64311919 0.26101863 Zr 6.06427833 2.00540198 8.11630425 -0.18894530 -2.94233145 0.80179418 Ni 6.01439798 0.02914655 10.10047493 -0.10135253 0.75098730 -0.81563719 Ni 4.01583556 2.01601266 10.13950508 0.03037660 -0.11935839 -0.88289918 Ni 8.06511252 0.02188353 8.05055437 0.33875404 0.87375982 -0.02693309 Ni 10.06894143 2.04491546 8.11888811 -0.80478093 -0.48136511 -0.19918580 Ni 10.07631034 0.01313040 10.06677786 -0.87949118 1.08980190 -0.86436771 Zr 8.09854533 2.00350561 10.06323641 0.18899740 -1.95486215 0.95832473 Zr 0.00737459 4.05849459 8.10526605 -1.11716099 -0.23539040 -0.09285583 Zr 2.01567755 6.06848929 8.05385245 0.91466647 0.94784444 0.27946458 Ni 2.01071926 3.99510978 10.08478783 0.11553448 0.09910955 -0.40083271 Zr 0.03752924 6.02375163 10.07369007 0.14706812 0.85176952 0.78514823 Zr 4.04054376 4.02746732 8.04796427 -0.89243564 1.11808441 2.19370625 Zr 6.10095999 6.04834358 8.11820162 -0.45059266 1.19493040 0.85051282 Ni 6.07218858 3.98802450 10.09037416 -0.18363571 0.19918829 -0.31231884 Ni 4.01034041 6.01958431 10.10592096 -0.21763185 0.13071311 -0.37897647 Zr 8.04501256 4.04002500 8.14341079 2.17849663 -0.00061642 -0.20422355 Ni 10.11953708 6.03284937 8.04883697 -0.76853521 0.17450896 0.23946306 Zr 10.06515323 4.05339322 10.07237611 0.77096801 0.95175987 -0.08951540 Ni 8.07358897 6.02956883 10.12549574 0.18557661 0.09511172 -0.75588206 Ni 0.01137521 8.06260568 8.11403993 0.72825317 0.32603522 0.04356685 Zr 1.99513618 10.04777480 8.06170363 -1.74345139 -0.16602509 -0.75623159 Ni 2.06395488 8.08187945 10.09645438 -0.19408646 -0.01640616 -0.66671471 Ni 0.01400925 10.08602256 10.13294181 1.08467442 -0.91897735 -0.84611117 Zr 4.04262225 8.09117876 8.06445045 -0.64724399 -0.92874356 -1.84285877 Zr 6.09085076 10.11909328 8.09807765 1.66350224 0.59945239 -1.66158823 Zr 6.02201287 8.06544833 10.09976642 1.83561437 -0.74228600 1.68073637 Zr 4.02092832 10.11141434 10.07952523 -0.89112231 0.88809871 1.64128959 Ni 8.06370091 8.05212521 8.05644244 0.40772006 0.47945723 0.28462572 Ni 10.07219283 10.07430947 8.08476061 -1.02839193 -0.89424456 0.13142908 Zr 10.07324705 8.07777588 10.09042255 -1.32214134 -0.28654627 -1.36684869 Ni 8.09665753 10.07991877 10.10393839 0.04930052 -0.78958040 -0.81274152