108 Lattice="11.995937787705646 0.0 0.0 0.0 11.995937787705646 0.0 0.0 0.0 11.995937787705646" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.272033158602 stress="-0.005991218389592361 -0.0004004728476895949 0.0005989771891580517 -0.0004004728476895949 0.0023628075335595912 0.0017768179281658371 0.0005989771891580517 0.0017768179281658371 -0.005787136061624873" free_energy=-443.272033158602 pbc="F F F" Cu 0.02716976 0.00578957 0.03860055 0.85528982 0.66017667 0.64299953 Cu 1.99324052 1.97624824 0.02576547 -0.45340935 -0.13309516 0.50283843 Zr 2.00969210 0.00433111 2.02085368 -1.57382619 0.46142726 -0.18955993 Cu 0.03955246 1.99202527 1.97421054 0.45562257 -0.29121756 -0.24633883 Zr 4.02800601 0.03542945 0.03544678 -1.01066084 -0.32659051 -1.03186438 Zr 5.99841927 2.00494616 0.03019924 0.77765357 -0.57004254 -1.24848744 Zr 5.99577430 0.00689446 1.96178104 1.03157281 -0.68072461 0.32965140 Cu 3.99770670 1.97439728 2.00272194 -0.54703008 0.24401559 0.16285026 Cu 8.04075532 0.01962906 0.03797648 0.05605691 0.76583661 0.57720079 Cu 10.02656258 1.95899097 0.03265505 -0.82768762 -0.01439840 0.83414836 Zr 10.01165936 0.04312823 2.02807183 0.00873578 -0.09052270 -1.23672354 Cu 8.00479991 1.94317798 1.96282512 0.68399271 0.34766494 -0.40038036 Cu 0.02353095 4.01935600 0.01423677 0.97540254 -0.04530381 1.01388440 Cu 2.02524228 5.99360817 0.02003200 -0.81513960 0.32716476 0.41384058 Zr 1.98627174 4.01003514 2.03531350 -1.46999094 -0.71295020 -1.16668201 Cu 0.00724009 5.95849969 1.97636913 0.80820732 0.52429146 -0.22972634 Zr 3.98742502 3.97216192 0.03980574 -0.84805570 0.09347974 -2.13311795 Cu 6.02308493 5.96881259 0.01831562 0.22436432 0.34383278 -0.33796163 Zr 6.02838086 4.02793676 1.97433641 0.07723505 -0.68058386 0.74988257 Zr 3.99156578 6.01749740 2.03585349 -0.57313218 1.37799007 0.52053372 Zr 8.01383034 3.97930045 0.00176327 1.67750670 0.04941256 -1.01315334 Cu 10.03152660 6.02640725 0.02235156 -0.60498381 0.05889146 0.87285174 Cu 9.96125452 4.02690051 2.00418975 -0.33369164 -0.42689827 -0.46562670 Zr 8.02930977 5.98192528 2.03524257 0.71099212 1.55674356 -0.85571032 Cu 0.00406129 7.96734594 0.00364572 0.88484268 -0.12933472 0.88846042 Zr 1.96915992 10.00578521 0.02259089 -0.38679529 -0.12677277 -0.77185757 Cu 1.99767992 7.96272546 2.01751774 -0.41682579 -0.37470595 0.06113678 Zr 0.05478703 9.95945167 1.95185670 0.02038188 0.00572879 0.31149278 Zr 4.03313935 8.00676500 0.02909463 -0.88939751 -1.40274663 -1.93813833 Zr 6.02912161 9.96531815 0.01828515 0.65769142 1.07567976 -1.67242313 Zr 6.03446504 8.03216328 1.97589879 0.68636631 -1.75174508 0.68022344 Zr 3.96372065 10.00834961 1.99827818 -1.45963760 1.29608103 1.44878483 Cu 7.95853970 7.99796150 0.00534548 0.60581914 -0.28573436 0.31198765 Cu 10.00951600 9.96053437 0.01169668 -0.87582606 -0.66188552 0.64954921 Cu 9.96458024 7.97850305 1.96993383 -0.71621316 0.38187959 -0.07184428 Zr 8.02365604 10.00471660 2.01832622 2.17715038 0.30076289 -0.05628358 Cu 0.00113246 0.03141301 4.02568962 1.05015231 1.11855879 0.03549020 Cu 1.97999000 2.00592791 3.96206530 -0.56342224 -0.47821927 0.64233211 Cu 2.02693210 0.03045561 5.97478094 -0.34930339 0.90161477 0.01236071 Cu 0.00841085 2.02698458 6.00606689 0.87378256 -0.22370979 -0.01598921 Zr 3.99881121 0.02927676 3.97657189 -0.68429076 -0.06069803 0.69020486 Cu 5.98108155 2.04684334 4.01028089 0.30151216 -0.10598764 0.10759613 Zr 5.98831439 0.01547564 5.96442166 0.29390844 0.03415863 0.27200317 Cu 4.03254372 2.00999428 5.97863762 -0.52731083 0.28813160 0.51229324 Zr 8.00808720 0.03174302 4.02654542 -0.77701796 -0.86847531 -0.26759605 Zr 9.97175977 1.97373434 4.00590240 1.28095829 1.68592324 -0.12232848 Zr 9.99570594 0.00245866 5.98631994 1.14595590 -1.11265610 0.09456843 Cu 8.00903119 2.03299942 5.98487268 -0.40089137 0.56673300 0.66351209 Zr 0.00189927 4.00151842 3.95366985 -0.55546622 -0.65293390 0.19551552 Cu 1.98707516 6.01162231 3.94948117 -0.07945836 0.08560968 0.24135961 Cu 1.99865290 4.02005348 5.97376849 0.27599783 -0.25942182 0.16982742 Zr 0.02870096 5.97705976 6.01240010 -0.58125744 0.14281742 0.68319318 Zr 4.02967353 3.99417633 4.01290936 -0.08007701 -0.60042236 2.05649460 Cu 5.96652298 5.98410913 4.03805250 0.49505829 0.51147901 0.95071354 Cu 5.98682628 4.03091321 6.06427901 -0.09582586 -0.25200644 -0.00966540 Cu 4.03549069 6.01403151 6.01901218 -0.60447793 -0.51721024 -0.40007499 Zr 7.99487931 3.96995633 4.01974948 -0.44465624 -0.44354356 1.41343271 Zr 10.02242201 6.02539608 4.03684615 0.80734382 -0.08741378 -0.31861806 Cu 10.00191768 4.03900193 5.98818009 -0.55505515 -0.03982150 0.18125029 Cu 7.96095164 5.95403963 6.02177478 0.14771845 -0.02894019 -0.08702258 Zr 0.01317422 8.03453994 4.03522130 -0.57049731 -0.58844862 -1.68870913 Cu 2.06420725 9.96663933 3.99829845 0.05434228 -0.14259468 -0.21606925 Zr 2.01584532 8.01031697 5.94434941 1.36123279 0.13534880 0.28029994 Zr 0.04514722 10.00549480 6.03402985 0.03603200 0.61739860 0.71030367 Cu 3.96412444 8.03534592 4.01677907 -0.47839110 -0.43368679 0.19936079 Zr 5.96228176 9.97956994 4.00795178 -0.00906402 1.26150234 1.35130176 Zr 5.97676673 8.00483671 6.01213265 1.07673389 0.33544352 -0.85055318 Cu 3.97692264 9.99745282 5.95620584 -0.38154732 -0.27140915 0.07629986 Cu 7.95835911 8.05875678 3.98227856 0.82695578 -0.23318895 0.39751421 Cu 9.96624951 9.98216754 3.99548596 -0.74029038 -0.84593320 0.22053109 Zr 9.99040048 8.00408707 6.01149884 -0.47443944 0.67572009 -0.62049437 Cu 8.07539318 10.02922287 6.03217176 -0.18329980 -0.51969324 -0.11696708 Cu 0.00310696 0.02184070 8.05443994 1.03612142 1.14053478 -0.14532775 Cu 1.99284269 2.00757840 7.98938641 -0.46822592 -0.27300688 -0.45914078 Zr 1.97214250 0.02645764 9.98731767 -1.06940882 0.16101319 -0.07216159 Cu 0.03851680 2.07390959 10.03524625 0.66469635 -0.10984960 -0.73481593 Zr 4.01220062 0.03724874 7.97582099 -0.86434012 -0.55768608 -1.07202451 Cu 6.02098594 1.98315215 8.00439856 0.03556805 1.02352241 -0.75577413 Zr 6.01511619 0.03614816 9.97545491 0.00749051 -1.39620973 1.18772051 Zr 4.03279400 1.99824840 10.02457562 -0.34714679 0.61735407 0.52651548 Zr 8.03637868 0.01626828 8.00858823 -0.87039072 -1.53454679 -0.88606578 Zr 9.97194879 1.98625253 7.96179995 1.12057605 2.26734030 -0.59537628 Zr 10.01708606 0.01843404 9.97853375 0.78791690 -0.76468878 0.76257914 Zr 7.96227460 1.96957409 9.95722812 0.36640551 1.47672265 1.35470968 Zr 0.03258760 4.02948093 7.98911674 -0.48414814 -1.46936824 -0.46415239 Cu 2.01720196 6.00151509 7.96933433 0.55068460 -0.20018174 0.14425067 Zr 1.99307273 3.98284975 9.99060508 0.87157522 0.02402042 0.44894322 Zr 0.02009230 5.98717964 10.01891947 -0.72136048 0.73650728 0.06468416 Cu 4.01622619 4.00682982 8.01635449 -0.50639885 -0.07453109 -0.77852344 Zr 5.99607549 6.02242325 7.99269029 -0.25310897 -0.94732644 -0.17187546 Zr 6.01904420 3.96562755 10.03451887 -0.70730104 0.25892751 0.49437603 Cu 3.99171283 5.97837832 10.00958791 0.05384482 -0.12363400 -0.45028821 Cu 7.97082085 3.99298641 8.03601133 0.26286248 -0.28839233 -0.84893797 Zr 9.99083118 6.01787508 7.99697901 0.38505990 -1.55200418 -0.73216901 Cu 10.00010617 4.00135469 9.98625246 -0.65452104 -0.00348945 -0.41935506 Zr 7.97734504 6.01481791 10.00115463 -0.00659166 0.08049067 1.13820322 Cu 0.03098116 7.99605239 7.98464667 0.74912194 0.15952039 0.13212297 Cu 1.97713288 9.99930014 8.02871790 -0.02812712 -0.45443737 0.27812021 Zr 2.01836213 7.98256112 9.96236619 -0.28776835 0.71767978 0.15374433 Cu 0.00944889 10.01865715 9.97861720 0.68035974 -0.89927547 -0.92108017 Zr 4.01720891 8.00308546 8.01688069 -0.07589602 1.01122443 0.83276496 Cu 6.00311627 9.97990875 7.99211872 0.23065354 -0.65920351 -0.00839605 Cu 6.02072659 8.03649182 10.00330274 -0.29869378 0.10436587 -0.78414242 Cu 4.02436420 9.95764434 9.97767547 0.24753207 -0.45623133 -0.59870337 Cu 7.96280943 7.98855127 8.01448058 -0.43597666 0.71226944 -0.09971483 Zr 10.00656973 9.99102750 8.00428329 0.08383442 0.68633370 -0.55045347 Zr 10.01049076 7.94117592 9.96934587 0.86214696 0.20139779 0.95414684 Zr 8.01903023 9.99658160 9.98948539 -1.38127134 -0.37499343 -0.27451148