108 Lattice="12.311808930875305 0.0 0.0 0.0 12.311808930875305 0.0 0.0 0.0 12.311808930875305" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.61945795781185 stress="-3.22400088190936 1.263058963083168 -2.6159426745873624 1.263058963083168 0.06450623995174709 1.45737941488553 -2.6159426745873624 1.45737941488553 0.7064554855863641" pbc="F F F" Cu -0.01029966 0.03828906 -0.03340328 0.61958392 0.57985921 0.81243536 Cu 2.06420497 2.02119746 -0.01086734 -0.11401954 0.00307590 0.69936594 Zr 2.06871081 0.02756002 2.08705658 0.53556770 -1.23435915 -1.26135940 Zr -0.03733593 2.01921869 2.08163667 -0.56097354 0.74789803 -1.78287369 Cu 4.09760617 0.01521892 -0.01039860 0.26403729 0.67453400 0.59723073 Cu 6.19714032 2.01054007 0.00628222 0.13304950 -0.11699484 0.80833808 Cu 6.13061416 0.00432636 2.05217788 0.03638123 0.42251857 -0.32865725 Zr 4.11143470 2.03113979 2.06863391 0.50981781 -0.10813989 -1.93547198 Zr 8.27170086 0.01749712 0.02942805 -0.24660498 1.13743196 1.31364382 Cu 10.24379553 2.07854506 0.02018681 -0.88317496 0.03364006 0.73948774 Cu 10.24694996 -0.02312713 2.00003918 -0.73389080 0.72437795 0.06119485 Cu 8.19652017 2.05803754 2.02915736 0.09897462 -0.08287079 -0.39529161 Cu 0.01078158 4.09039925 0.02707226 0.69410920 0.19567851 0.86962501 Cu 2.00480234 6.11967895 0.02542783 -0.04924834 0.03852884 0.64788119 Cu 2.05458810 4.04641638 2.06333617 -0.25787757 0.17218071 -0.92686823 Cu 0.00169787 6.12585264 2.03102425 0.65030319 -0.27501992 -0.47758167 Cu 4.06311485 4.12471636 0.03485178 -0.00242591 -0.09634964 0.65145336 Cu 6.18903756 6.15310709 0.00668692 0.00533376 0.06791642 0.48375318 Cu 6.10811475 4.07030861 2.04836309 0.32149265 -0.22687840 -0.93848486 Zr 4.14418256 6.18452490 2.06367140 0.35518247 -0.56496223 -2.45428886 Cu 8.24078304 4.08828650 0.00952049 0.00871150 -0.33996568 0.75923530 Zr 10.22242277 6.15454869 -0.00676078 0.35697642 -0.90135477 -0.14250982 Cu 10.24347771 4.09835234 2.06480429 -0.37549914 -0.19226656 -0.39816523 Zr 8.17330935 6.14263533 2.06361110 -0.68341482 -0.85160154 -1.64068080 Zr 0.02792912 8.20360262 -0.03924238 0.00154933 -0.44820511 0.59874825 Zr 2.05822286 10.25877211 -0.02950868 0.61348608 0.02022864 0.54861944 Zr 2.07698052 8.18597432 2.03849519 -0.37185250 0.24244997 -1.33127923 Cu -0.03265804 10.28694539 2.10410245 0.49905032 -0.54797696 -0.16106328 Cu 4.12636940 8.21183715 0.00648244 0.01588446 0.06729670 0.52782904 Zr 6.14678292 10.23689611 -0.00456423 -0.62417324 -0.33251820 1.02360654 Cu 6.18382987 8.24732763 2.09145470 -0.14044187 0.47093988 -0.78938781 Cu 4.07415715 10.25589621 2.04525530 0.29979866 -0.54395924 -0.30533520 Zr 8.19290086 8.22494533 0.00391294 -0.55339688 0.61399131 -0.43855743 Cu 10.22410862 10.28539317 -0.00654071 -0.75421022 -0.71456272 0.53921263 Zr 10.26879440 8.23943541 2.06714708 0.96945232 1.37646463 -0.12248028 Cu 8.21829690 10.27995984 2.04628520 0.16430248 -0.48928805 -0.30621953 Zr 0.03419066 0.03951514 4.10681126 -0.54027123 -0.59397028 1.29307448 Zr 2.08414192 2.00084373 4.12275782 -0.21367799 0.27141909 1.23904881 Cu 2.05501168 0.03033454 6.15400783 -0.16358157 0.32724774 0.19671047 Cu -0.03954234 2.10719265 6.13666494 0.78818042 -0.26322749 0.31962861 Cu 4.09988555 -0.01542344 4.13125010 0.01191707 0.27025708 0.10379540 Zr 6.12007860 2.07869352 4.13347206 0.42007356 -1.10489332 -1.97317349 Zr 6.18031268 0.00276409 6.17625672 -0.77767425 -1.63891113 -0.14975126 Zr 4.10430407 2.02759257 6.17067335 -1.46001717 0.06818897 1.38615085 Zr 8.17556863 -0.02645602 4.10419404 0.69127389 -0.49129798 -1.89612126 Cu 10.28985511 2.01357499 4.13266766 -0.58602299 0.16355644 -0.40046636 Zr 10.26023363 0.01221471 6.20217628 0.62395302 0.13297021 0.07555184 Zr 8.17460765 2.03124194 6.14164119 1.63370676 0.71139919 0.48859844 Zr 0.01996697 4.11490063 4.07727463 -0.56489720 0.42489815 0.51178370 Zr 2.05388263 6.13752538 4.08889652 -0.63459361 -1.14707563 0.45403756 Cu 2.05767231 4.07797514 6.13028798 -0.34256394 0.21984833 0.85055217 Cu 0.00661946 6.18509227 6.16908659 0.24180426 -0.13232633 0.36397418 Zr 4.12986043 4.08441353 4.14448191 -1.12248296 0.80721868 -0.35353108 Zr 6.18382637 6.14325251 4.07236648 -0.70413156 0.00889676 -0.36833192 Zr 6.12955429 4.11730999 6.13677410 -1.01264919 0.74164166 2.25868305 Cu 4.07658738 6.19018940 6.15272716 -0.05257423 -0.64732771 0.45756596 Zr 8.20057095 4.14143829 4.07763250 1.36846636 -1.93819624 -1.12501212 Zr 10.24440328 6.13414122 4.14401507 2.23283747 -1.09016512 -0.26967810 Cu 10.25193733 4.09459410 6.13805377 -0.23170853 -0.23900575 0.35411188 Zr 8.22344911 6.15698801 6.13980088 0.29440697 -0.69173184 1.63522391 Zr -0.02573002 8.16832291 4.12832365 -1.64567878 -0.34389804 -0.84491095 Zr 2.09174321 10.29588439 4.06793081 -0.25032187 1.66397435 -1.16877316 Zr 2.01555833 8.22949790 6.13875428 -0.56170384 -0.63239005 1.22183944 Zr 0.04023810 10.28764809 6.16532865 -0.27583162 0.29687824 0.82288723 Zr 4.13186761 8.17220279 4.12039998 0.31085098 0.51688203 -0.81637305 Zr 6.19467084 10.29812786 4.09322420 0.38367011 1.24334206 -1.18319384 Zr 6.11459657 8.22049719 6.11709600 0.40878551 -0.62934980 0.78439267 Zr 4.09240024 10.28510088 6.17165793 -0.64344500 2.08787358 0.42387496 Zr 8.20958333 8.19814281 4.10594645 0.13888611 2.21489216 -0.73759311 Cu 10.22630535 10.28691868 4.11163688 -0.67459558 -0.56249503 0.02980527 Zr 10.23255922 8.16816818 6.18666892 1.32631538 1.40335275 0.44566091 Cu 8.20097676 10.27185390 6.10750091 0.30287214 -0.37674123 0.26234634 Zr 0.00378689 -0.03512794 8.23107607 1.38667600 1.29650975 -0.44643805 Cu 2.05196347 2.06579306 8.21795600 -0.60941434 0.17628844 0.14401741 Cu 2.03584632 -0.02180265 10.23466766 -0.00795067 0.76164322 -0.67826769 Cu -0.03550462 2.01249162 10.22178728 1.01381048 -0.08306649 -0.87285463 Zr 4.13677332 0.03318197 8.20346582 -1.50960514 -0.78068536 0.07993970 Cu 6.12416409 2.04437726 8.19192612 -0.23028156 0.51287726 0.40023025 Zr 6.18233039 0.03794178 10.22418643 -0.18110123 -0.62391530 0.77096400 Zr 4.11020376 2.05627195 10.29935352 -0.61531247 1.04713677 -0.31882246 Zr 8.16885263 0.03746947 8.25876261 0.51462723 -0.96058792 -0.11881817 Cu 10.21466962 2.06837337 8.22017980 0.24093610 -0.18628052 0.00062963 Zr 10.28238109 -0.02931093 10.27979685 0.02077922 0.38507336 -0.40876132 Zr 8.23459903 2.03715460 10.29394795 -0.45123390 0.76468375 0.79595262 Cu -0.00440209 4.12790277 8.18016686 0.74888274 -0.31050662 0.01206754 Zr 2.01166189 6.16728036 8.22695897 -0.36579769 -1.03781465 0.39949774 Cu 2.09094793 4.12618092 10.23116672 -0.22885541 -0.01257211 -0.67746896 Cu 0.03091597 6.11441484 10.23563521 0.71330521 -0.00293723 -0.66502675 Cu 4.08472678 4.12673401 8.21702326 -0.12800438 -0.04420737 0.24977269 Cu 6.11681170 6.17591822 8.18905225 -0.64774515 -0.13090358 0.34535620 Cu 6.13751437 4.08750485 10.27567831 0.07028110 0.09786045 -0.71230282 Cu 4.07087505 6.17718572 10.22727906 0.03214513 -0.39542910 -0.35266176 Zr 8.25929286 4.06216095 8.17026516 -0.26210388 0.19581512 0.32156936 Cu 10.26570602 6.18323470 8.21775026 -0.13290262 -0.03104814 0.07236726 Zr 10.27148496 4.10816785 10.20437436 0.75414466 0.07012492 -0.02135983 Zr 8.15745203 6.20332856 10.22099373 0.27962386 -0.51262993 0.53044373 Cu 0.03571030 8.21109914 8.23273143 0.62406098 0.14100913 0.24950300 Cu 1.98780327 10.29305293 8.19020244 -0.02897180 -0.77680535 0.45933635 Cu 2.05058190 8.23031997 10.28946614 -0.10632278 0.09283543 -0.84899966 Cu 0.01550200 10.24493084 10.23636944 0.66336608 -0.68373850 -0.85911874 Zr 4.06552597 8.22506347 8.18236388 -0.69305054 -0.50637605 1.56740015 Zr 6.17008405 10.22216605 8.20635419 0.76193426 1.76582027 0.55912735 Zr 6.15973399 8.20267168 10.30007621 -0.72528036 0.09708737 0.91806785 Cu 4.11551509 10.27028450 10.25041961 -0.19356598 -0.54340756 -0.60452844 Zr 8.22095406 8.17126768 8.19752953 1.03936982 1.02506435 0.69301657 Cu 10.22855992 10.25843885 8.19218000 -0.77606794 -0.54757955 0.10787255 Cu 10.23429566 8.19809172 10.27055304 -0.73677977 -0.04445172 -0.81658707 Cu 8.15795957 10.29739311 10.26441212 0.24498728 -0.78835863 -0.51260828