108 Lattice="12.091853712167348 0.0 0.0 0.0 12.091853712167348 0.0 0.0 0.0 12.091853712167348" Properties=species:S:1:pos:R:3:forces:R:3 energy=-439.2376955333728 stress="-3.5835623486618475 3.7402763074178456 0.3592035791896655 3.7402763074178456 -1.5238160216395826 -5.147417801206551 0.3592035791896655 -5.147417801206551 4.457534878405259" pbc="F F F" Zr -0.01727425 0.03170983 -0.00796722 0.14238877 0.19879632 -0.31430986 Cu 2.00950061 2.03012756 0.01437396 0.27481506 -0.15087798 0.30967883 Zr 2.00152345 0.01324070 2.02596096 1.51330261 -1.68407470 -0.92241219 Zr 0.01175125 1.99926163 1.99896239 -1.18732176 1.46309592 -0.00054852 Cu 4.06536246 -0.02396084 -0.02059595 -0.24987856 0.67545329 0.57684537 Zr 6.03795957 2.01367697 0.02975773 0.79314903 -1.45040265 -1.76908338 Cu 6.05527874 0.01581662 2.03173114 -0.24206433 0.29848023 -0.34824255 Zr 4.01701998 2.00007990 1.97215584 -0.82537470 -0.84454640 0.16613782 Cu 8.03920969 0.01288603 0.02998950 0.26154331 0.55296411 0.87112528 Cu 10.09100426 2.01998670 -0.03317670 -0.97052769 -0.02696224 0.73252462 Cu 10.08826144 0.00866343 2.04966535 -0.63361729 0.96320922 -0.03203789 Zr 8.07807107 2.00449258 2.00309650 1.58900341 -0.86483556 -0.65969555 Zr 0.07784716 4.01495820 -0.00354556 -0.02839836 -0.77191500 -0.75413019 Zr 2.02961689 6.08598218 -0.02602986 0.80595901 0.74059766 -0.98731649 Cu 2.04442029 4.02648285 2.03266223 -0.14132298 -0.07758605 0.45440012 Zr 0.03189997 6.01673510 1.97830458 -0.31102576 -0.07713974 2.35578239 Zr 4.02336949 4.05701843 -0.00704045 -0.68226531 -0.11491336 -1.71537468 Cu 6.09048643 6.05623589 -0.02069241 -0.22457613 -0.14240285 0.11935035 Zr 6.05721896 4.04276716 1.94861992 0.77084814 0.51071644 0.23474454 Zr 4.04824323 6.04326597 2.03912614 -1.54763580 0.14027794 -0.37978336 Cu 8.05276060 4.08718475 -0.00123267 0.15018695 -0.11745228 -0.06634326 Zr 10.07619727 6.08322803 -0.03063573 0.69562009 -0.64193295 -1.21255268 Zr 10.07034523 4.00401585 2.01080039 0.64367067 -0.45486272 0.57630845 Zr 8.06466659 6.04948255 2.03731730 0.20810674 -1.46538429 -0.19435023 Zr -0.01249135 8.02839842 0.06659643 0.07733855 1.36311418 0.06045300 Cu 1.98742603 10.10736303 -0.02137872 -0.12390356 -1.12282332 1.00412609 Cu 2.02224580 8.03111729 2.01991839 -0.14949811 1.15622979 -0.01816768 Cu 0.01250579 10.11021113 2.00473594 0.96631438 -1.15756302 -0.01494118 Cu 4.05270408 8.05742663 0.01411653 -0.20734229 0.37426551 0.73034838 Cu 6.10220713 10.03814276 0.00684714 -0.21430172 -0.31540724 0.56488992 Zr 6.02605711 8.06700800 2.05458390 -1.34532449 0.88075757 -2.79581505 Cu 4.07009995 10.09994119 2.02372771 -0.41047593 -0.74102729 -0.52050204 Zr 8.05873903 8.05502146 -0.03891726 -1.41312934 -0.15771782 -2.20024290 Zr 10.04106187 10.07480297 0.03365612 0.71373834 0.37489625 -0.57662587 Zr 10.05899319 8.00661042 2.05358648 2.69640622 0.31608561 1.07482842 Zr 8.07870993 10.07039707 1.98915897 -0.12705295 2.42191786 0.18215179 Zr -0.01528236 -0.02120693 3.99640409 -0.58710046 -0.50057440 1.54014237 Zr 1.98502099 2.03275696 4.01126285 0.62533533 0.50788447 1.59193214 Cu 2.01935654 0.02054745 6.07890019 0.00778898 0.97027213 0.11341928 Cu 0.01521457 2.04910480 6.10589066 0.58517189 0.07755843 0.01620325 Cu 4.06718431 0.02402076 4.02976224 -0.08397282 0.33733490 0.31434520 Zr 6.04130526 2.00123801 4.00083551 -1.30198802 0.01313901 1.32002669 Cu 6.03640598 0.01983473 6.04662276 -0.34991046 0.25399561 -0.02025619 Cu 4.02364834 1.97854497 6.06665702 -0.05006415 -0.51044453 -0.33216129 Zr 8.08332404 -0.01955464 4.06734439 -0.21402984 -1.20154285 -0.91135737 Cu 10.11561162 2.03742918 3.97743211 -0.72396174 -0.12512571 0.31696078 Zr 10.06116897 -0.01732773 6.02784725 1.47171682 -0.68442907 -0.47586624 Zr 8.07824492 2.03684210 6.06087055 -0.19578669 1.45134374 -1.59640197 Cu -0.01390766 4.03473464 4.08771875 0.42762523 -0.14329132 -0.29457615 Cu 2.02550907 6.09563639 3.98879105 -0.23749640 -0.17406624 0.15298468 Zr 1.95695059 4.04914143 6.01629054 0.32304552 -0.10889190 0.14864135 Zr 0.04124436 6.08014618 5.98979009 0.00361528 0.69556868 0.22446410 Cu 4.05472100 4.05913593 4.01109519 -0.57149725 0.02684069 0.59889708 Zr 6.02916858 6.03619162 3.99829774 0.32563774 -1.88885222 2.34213984 Cu 5.96855564 4.09277814 5.98956569 -0.01105738 -0.16728159 0.07720335 Cu 4.04001818 5.97841328 6.04433915 -0.93249282 0.23165777 -0.37637460 Cu 8.02809631 3.98336476 4.06262951 0.90664478 0.33302055 0.63383888 Cu 10.10397394 6.07264120 4.00920564 -0.60272538 -0.30586871 0.44815122 Cu 10.04787139 4.04967878 6.05048908 -0.34925668 0.12636144 -0.46934512 Cu 8.03753672 6.04263831 6.02876920 1.16320077 -0.62482266 -0.10508315 Cu -0.01965605 8.09052470 4.04576927 1.20441217 0.40847235 -0.33016288 Cu 2.01497922 10.06594978 4.05778905 -0.19051760 -0.78509833 0.12108626 Cu 1.96511786 8.07618385 6.02147965 -0.18549415 0.10110017 -0.00874100 Cu 0.00996162 10.07878494 6.00743669 0.88814444 -1.17004655 0.23585638 Zr 4.00031099 8.08223419 4.01662801 -2.90153924 0.64900225 0.88541483 Zr 6.01167597 10.09548505 4.03035522 -0.44593015 2.43534219 0.64820187 Zr 6.08163383 8.06324121 6.00747435 -0.21953308 0.74192154 0.97884861 Cu 3.99114766 10.08142009 6.02239657 -0.31350079 -0.38901704 0.08850947 Zr 8.09089071 8.08741712 3.99380296 2.22825896 0.03040366 2.48868990 Cu 10.05154904 10.10249257 3.99589848 -0.55492842 -0.44342538 0.31978506 Cu 10.07790998 8.11066525 6.05764048 -0.72226605 -0.03815651 -0.33035049 Cu 8.03471200 10.09852632 6.00886193 0.52738756 -0.30632546 0.21206127 Zr -0.01632758 -0.00342738 8.02486393 0.46893453 0.36895560 -1.21849268 Cu 2.03828851 2.05534749 8.04279891 0.03459254 -0.68124789 -0.26898984 Zr 2.03612583 -0.00326989 10.08872539 1.15448667 0.32967820 -0.45900892 Zr 0.02119578 1.97918579 10.07275932 -0.31634021 0.63466826 -0.26563051 Cu 3.97924626 -0.02139441 8.07925710 -0.00500155 1.00771523 -0.00796776 Zr 6.03334874 1.98049586 8.04019258 -1.28286257 -1.29131767 0.26233568 Cu 5.97472261 0.00751749 10.04902662 -0.13558520 0.81479841 -0.56616317 Cu 4.04118423 2.02725843 10.04257263 -0.42732975 -0.64320738 -0.40949733 Zr 8.05291038 0.00519585 8.02616175 -1.30470448 -1.78476736 0.99355675 Zr 10.05974691 2.01863012 8.04238799 1.88201164 1.24227669 0.83652901 Zr 10.07292552 0.04639200 10.06089895 -0.18428110 0.16517544 0.19667800 Cu 8.06586797 1.98682835 10.10455104 0.13443558 -0.00539241 -0.40956175 Cu 0.02340472 4.01833284 8.06626935 0.79690266 -0.05594859 0.09313549 Cu 2.00397145 6.07963728 8.06328183 -0.32080226 0.45739947 0.28748688 Zr 2.00521339 4.04498997 10.06345499 -0.06183113 0.58989982 0.07018520 Cu -0.00899275 6.06414596 10.11613427 0.80545726 0.12778179 -1.12983058 Zr 4.05824024 3.99395610 8.09895869 -1.06745486 0.21259721 -0.90818030 Zr 6.08561358 6.05432264 8.08462846 -0.97515857 -0.80391745 -1.54512453 Zr 6.04392808 4.01732606 10.11093199 -0.31248937 -0.66184157 2.26313795 Cu 4.04162030 6.04760647 10.09795681 -0.41942693 0.13284804 -0.27211041 Zr 8.09095129 3.99102931 8.09747119 1.28780348 0.88961670 -0.57669459 Cu 10.10532410 6.08754845 8.06564905 -0.69012023 -0.01819601 -0.05935074 Cu 10.09673288 4.02364137 10.10575305 -0.72757385 -0.22696472 -0.57310310 Zr 8.08440131 6.10575441 10.06677532 2.15389920 -0.19707542 1.62046426 Cu 0.03266563 8.09855599 8.10481159 1.04676882 -0.01731165 0.02989027 Zr 2.05104151 10.03416327 8.10062628 -0.31447032 0.06150010 -0.68818644 Cu 2.04055966 8.09421167 10.04556408 -0.18399471 -0.34660940 -0.55772722 Zr 0.03522295 10.06395037 10.07150899 0.48324977 -0.82833422 -0.32131196 Zr 4.01687131 8.06663562 8.06878533 -1.25954268 -0.04844077 -0.14506794 Cu 6.01043151 10.05644441 8.01516009 -0.07557812 -0.37633830 -0.06011458 Zr 6.02803151 8.02589509 10.09514539 -1.34695009 1.05648677 1.54403224 Cu 3.97986630 10.05864548 10.08413915 -0.08857379 -0.48178352 -0.48442879 Zr 8.05087010 8.06678751 8.03656383 1.71818001 0.41293180 -1.29280177 Zr 10.03441088 10.06717043 8.03354883 0.24348348 -0.26255983 -0.66534042 Cu 10.11525945 8.11744790 10.11631509 -0.68018943 -0.00706757 -0.71555849 Zr 8.07344875 10.03557182 10.09422788 -0.24023456 0.35900264 0.30446486