108 Lattice="12.253233018014148 0.0 0.0 0.0 12.253233018014148 0.0 0.0 0.0 12.253233018014148" Properties=species:S:1:pos:R:3:forces:R:3 energy=-433.59637863932335 stress="-0.0033063082171484177 0.002526597367633054 0.0025774775091406883 0.002526597367633054 0.0014758628606482292 0.0014370386754634947 0.0025774775091406883 0.0014370386754634947 -0.004052620689043203" free_energy=-433.59637863932335 pbc="F F F" Zr 0.01953914 0.03902497 0.03012561 0.42988077 0.82461983 0.69351205 Cu 2.02272452 2.07417523 0.02252040 -0.19216980 -0.18811178 0.36866117 Zr 2.05920990 0.00527307 2.01522001 -0.44008085 0.04111284 -0.74764161 Cu 0.02329240 2.07352751 2.07051661 0.54381396 -0.13743466 -0.31501446 Cu 4.07496844 0.01974583 0.02393752 -0.13195133 0.47366212 0.53292761 Zr 6.15636671 2.01003904 0.01861650 -0.15564988 0.69314938 -1.42508642 Zr 6.13734216 0.00439420 2.04569194 -0.16784498 -1.03879821 0.12362375 Zr 4.10030538 2.03651393 2.06306249 -0.80819687 -0.25137057 -1.16389395 Zr 8.13107958 0.01941472 0.00829073 0.80394606 -0.45480106 0.03383880 Zr 10.20578175 2.01982998 0.04037051 -0.37029493 0.19636927 0.24569470 Cu 10.17250254 0.00628810 1.97701381 -0.70365612 0.72954763 0.23485423 Cu 8.15141991 2.07645065 2.05453400 0.58147991 -0.67403724 -0.12604007 Cu 0.01990224 4.06395962 0.03066712 0.63012136 -0.19858319 0.76927192 Cu 2.02864405 6.07393917 0.04053186 -0.24384800 0.22190554 0.24755059 Zr 2.04227200 4.06596947 2.03853029 -0.85472067 -1.22076998 -2.18222619 Zr 0.01806143 6.16062211 2.01458946 -0.52095991 1.13031958 -1.02503238 Cu 4.11473954 4.08085117 0.00308856 -0.62344140 -0.22240643 -0.03214664 Zr 6.15161105 6.11345962 0.02901719 0.85723230 -0.55847220 -2.04062952 Zr 6.08784314 4.04512554 2.02961482 0.74559661 -0.85980394 -0.41549370 Zr 4.05630621 6.11402023 2.01306910 -1.09921390 0.00274420 -1.21775953 Cu 8.14885221 4.05226940 0.04242797 0.39801197 -0.36311236 0.11115093 Zr 10.18192923 6.13626189 0.03066933 -0.10505709 -0.29261412 -1.04723170 Zr 10.17455318 4.06098964 2.06456673 1.03750195 -0.40123650 0.35096457 Zr 8.14398376 6.12820468 2.03857947 1.05968228 -0.09145873 -0.67121836 Cu 0.02001654 8.15313530 0.03585542 0.62418847 0.13165734 0.47180783 Zr 2.03485277 10.23622377 0.03024400 -0.32623228 -0.01474429 -0.44255189 Cu 2.00459662 8.14866157 2.02137221 -0.49409449 0.26675470 -0.38511875 Zr 0.04065863 10.21436365 2.02272054 -0.10302015 -0.85216944 0.19736497 Zr 4.11114004 8.15376893 0.01031626 -1.40878922 -0.40069342 -1.51810599 Zr 6.11505679 10.24988093 0.03376215 1.03841873 0.28440488 -0.48511187 Zr 6.13155842 8.17516088 2.09212497 1.27828158 1.80872623 -0.46639577 Zr 4.10332702 10.24420617 2.05256208 -0.42487063 1.31682798 0.62943616 Cu 8.14315386 8.16563668 0.00456688 0.32841351 0.70469578 0.34046532 Cu 10.20409399 10.17494273 0.03529769 -0.66428270 -0.79230587 0.64120655 Zr 10.18689886 8.13418218 2.03134773 0.30934372 1.45993783 -0.08468914 Cu 8.16442964 10.17653329 2.02588885 0.35592509 -0.50937567 0.07006728 Zr 0.00819245 0.02492960 4.12219071 0.31706981 0.38787263 -0.52727662 Cu 2.03573647 2.03475886 4.13383978 -0.64240547 -0.25713377 -0.06178171 Cu 2.01716936 0.00261208 6.11481216 -0.05868117 0.49277869 0.34461900 Zr 0.03861160 2.07964104 6.16543216 0.37402614 -0.38683949 1.42324297 Zr 4.07389309 0.02271590 4.08782599 -0.67076539 -1.06694276 0.73122929 Cu 6.14318685 2.05047203 4.13189768 0.65314094 -0.42570751 -0.19145881 Zr 6.14798540 0.03683311 6.14726913 1.13558651 -0.31157847 0.62939672 Zr 4.04884813 2.02404696 6.15387522 -1.07566085 0.44397590 0.74887293 Zr 8.18456901 0.00253107 4.07335610 1.23890328 0.74321502 -0.31632847 Cu 10.22381154 2.01305755 4.01928464 -0.41865171 -0.37555025 -0.02084440 Cu 10.23241722 0.02530710 6.09482875 -0.98712791 0.93588641 0.17641816 Cu 8.17981119 2.07377600 6.14460472 0.44197001 -0.82472862 0.16416011 Zr 0.03705888 4.10769212 4.07018040 -0.95729497 -1.19544012 0.13609217 Zr 2.07989674 6.16291157 4.08717686 -0.94335958 1.10605179 0.68186487 Cu 2.07085039 4.03666250 6.13529232 -0.48139135 0.11397201 0.75597575 Zr 0.02263906 6.13976865 6.16635433 0.17863761 0.40388493 0.84997181 Zr 4.06525320 4.04831848 4.11433419 -0.45264675 -0.70956715 0.52441511 Zr 6.16121933 6.17229977 4.08616056 -0.30316025 -0.32454794 0.76350462 Zr 6.14506280 4.10111842 6.16218125 -0.28395029 -2.09153269 0.28105708 Zr 4.09676265 6.16550368 6.16715805 -1.35961089 -0.41586582 1.15329333 Zr 8.20656283 4.06899924 4.02443736 0.38310103 -1.68327891 0.36408903 Cu 10.23773348 6.13217065 4.11622854 -0.08547325 0.29362252 -0.11703910 Zr 10.18904876 4.09251714 6.09229091 1.56421110 -1.32613598 -0.49633075 Zr 8.17369104 6.09122079 6.15644040 1.10708897 2.43893385 -0.27373562 Cu 0.01031460 8.15554771 4.12035934 0.56671840 0.27816582 0.04447833 Zr 2.06464585 10.24028119 4.12130283 -0.72911471 -0.36166604 0.97495905 Cu 2.00659859 8.19489635 6.16638494 -0.57878079 0.48529547 0.51517931 Cu 0.00229454 10.18155058 6.11609614 0.82837427 -0.90205099 0.01673447 Zr 4.11861098 8.13550947 4.12065033 -0.40028602 1.91358629 0.92491350 Cu 6.11961340 10.23591977 4.07783381 0.07746653 -0.31363853 0.22065997 Cu 6.14660546 8.16742677 6.10916373 0.23484045 1.15371817 0.76436708 Cu 4.10734848 10.22203693 6.14246493 0.15050303 -0.74428854 0.12018838 Zr 8.17391925 8.19479441 4.11684643 1.15537655 1.52232879 0.38827155 Cu 10.22360268 10.17818404 4.07630685 -0.71008351 -0.55234491 0.10944653 Cu 10.21754969 8.18444579 6.08465475 -0.58735559 0.27074685 0.18593979 Zr 8.15199499 10.22256141 6.13377376 0.26216576 -0.58463218 0.61758686 Cu 0.02057562 0.01216709 8.17385086 1.01416548 1.08296120 0.12920881 Cu 2.04864387 2.02547569 8.19096208 -0.52304868 -0.09602625 0.82262382 Cu 2.02140215 0.03223284 10.20760861 -0.10565918 1.01761227 -0.79882150 Zr 0.03312242 2.09043041 10.22254036 1.09604226 -0.17860822 -1.53710086 Zr 4.05718984 0.04445401 8.20078954 -0.59920015 -0.06037037 1.13115804 Cu 6.12539778 2.05494579 8.17591376 0.14603351 -0.44501866 0.94682374 Cu 6.11398367 0.00032391 10.17793212 0.18200051 0.95981572 -0.95427128 Cu 4.11659253 2.03706976 10.23499108 -0.43534899 -0.11913852 -0.95007675 Cu 8.18907378 0.03818861 8.23871389 0.14929683 0.94128484 0.14444298 Cu 10.17630134 2.04432017 8.16238201 -0.58262016 -0.48607798 0.37248314 Zr 10.24982180 0.02898240 10.17708638 -1.00903226 1.56491250 -0.95331917 Cu 8.15282362 2.05280309 10.23672050 0.25309376 -0.46347797 -0.79742026 Cu 0.02034762 4.07330744 8.13514486 0.76454022 -0.14026496 0.45723297 Cu 2.07206940 6.07974223 8.17648193 -0.71013876 0.09135973 0.46476325 Cu 2.09379366 4.06817946 10.21758434 -0.21923178 -0.16338376 -0.68167513 Cu 0.01161314 6.14132046 10.24428949 1.02210015 -0.18047806 -1.02713238 Cu 4.09858663 4.11789312 8.20945622 -0.66034931 -0.68476718 0.34283681 Zr 6.14232377 6.10527671 8.14685978 0.94377179 1.64402075 1.07489264 Zr 6.09023976 4.11915554 10.20549623 0.43158603 -1.24490019 0.47456992 Zr 4.07097209 6.16647596 10.24888814 -0.39749992 -0.40581116 0.66025626 Zr 8.19401095 4.05701919 8.14068594 0.51032436 -1.99474636 1.62240456 Zr 10.23956550 6.14140386 8.17393593 0.36965586 1.69541324 0.64227042 Zr 10.24847404 4.07351582 10.21378046 -0.54038060 -0.94552973 -0.00037768 Cu 8.14989265 6.11572846 10.20981908 0.21247150 0.37049249 -0.64611485 Cu 0.01672826 8.13830519 8.13792655 0.91917686 0.32856089 0.34568348 Zr 2.07970620 10.24464103 8.20303181 -0.81712154 0.49221190 -0.75076814 Zr 2.03472288 8.20933339 10.17678856 -1.58579302 0.06126764 0.42311865 Cu 0.03638154 10.23488341 10.19358292 0.68190652 -0.69678762 -0.67174516 Zr 4.06280199 8.14831966 8.19659484 0.76920777 1.81225833 -0.57416390 Cu 6.15203182 10.19350999 8.19164449 0.03962912 -0.82380240 0.31628672 Cu 6.14904235 8.19282818 10.23921351 0.10843803 0.14582771 -0.74922619 Cu 4.14401695 10.20718566 10.20326858 0.03645618 -0.86225613 -0.73439787 Cu 8.21204704 8.18175873 8.16985335 0.18906373 0.69007013 0.45114884 Cu 10.21570616 10.23356077 8.11273803 -1.07255679 -0.97172316 0.10099451 Cu 10.18784607 8.11642820 10.20778464 -0.84938961 0.05537704 -0.82730867 Cu 8.13714016 10.17568868 10.22632890 0.14156725 -0.88497766 -1.14642253