108 Lattice="12.091851389534392 0.0 0.0 0.0 12.091851389534392 0.0 0.0 0.0 12.091851389534392" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-439.2376952439431 pbc="F F F" Zr -0.01727425 0.03170983 -0.00796722 40 0.14238659 0.19879399 -0.31431238 Cu 2.00950022 2.03012717 0.01437396 29 0.27481558 -0.15087844 0.30967502 Zr 2.00152307 0.01324070 2.02596058 40 1.51330446 -1.68407930 -0.92241278 Zr 0.01175125 1.99926124 1.99896200 40 -1.18732642 1.46309719 -0.00054833 Cu 4.06536168 -0.02396084 -0.02059595 29 -0.24987851 0.67545129 0.57684317 Zr 6.03795841 2.01367659 0.02975773 40 0.79314991 -1.45040418 -1.76908791 Cu 6.05527758 0.01581662 2.03173075 29 -0.24206519 0.29847638 -0.34824331 Zr 4.01701920 2.00007951 1.97215546 40 -0.82537599 -0.84454856 0.16613754 Cu 8.03920815 0.01288603 0.02998950 29 0.26154418 0.55296249 0.87112438 Cu 10.09100233 2.01998631 -0.03317670 29 -0.97052670 -0.02696279 0.73252308 Cu 10.08825950 0.00866343 2.04966496 29 -0.63361565 0.96320838 -0.03203832 Zr 8.07806952 2.00449219 2.00309611 40 1.58900538 -0.86483694 -0.65969709 Zr 0.07784716 4.01495742 -0.00354556 40 -0.02840154 -0.77191576 -0.75413392 Zr 2.02961650 6.08598102 -0.02602986 40 0.80596012 0.74059831 -0.98732113 Cu 2.04441991 4.02648208 2.03266185 29 -0.14132365 -0.07758618 0.45440161 Zr 0.03189997 6.01673394 1.97830419 40 -0.31102996 -0.07713981 2.35578426 Zr 4.02336871 4.05701765 -0.00704045 40 -0.68226579 -0.11491283 -1.71537915 Cu 6.09048527 6.05623473 -0.02069241 29 -0.22457671 -0.14240237 0.11934510 Zr 6.05721780 4.04276638 1.94861953 40 0.77084889 0.51071664 0.23474349 Zr 4.04824246 6.04326481 2.03912575 40 -1.54763707 0.14027813 -0.37978348 Cu 8.05275905 4.08718398 -0.00123267 29 0.15018779 -0.11745252 -0.06634827 Zr 10.07619534 6.08322687 -0.03063573 40 0.69562305 -0.64193287 -1.21255642 Zr 10.07034330 4.00401507 2.01080000 40 0.64367486 -0.45486396 0.57630955 Zr 8.06466505 6.04948138 2.03731691 40 0.20810748 -1.46538533 -0.19435016 Zr -0.01249135 8.02839687 0.06659643 40 0.07733579 1.36311572 0.06045060 Cu 1.98742564 10.10736109 -0.02137872 29 -0.12390301 -1.12282260 1.00412532 Cu 2.02224542 8.03111574 2.01991800 29 -0.14949812 1.15623278 -0.01816769 Cu 0.01250579 10.11020920 2.00473555 29 0.96631383 -1.15756177 -0.01494071 Cu 4.05270331 8.05742508 0.01411653 29 -0.20734206 0.37426679 0.73034643 Cu 6.10220597 10.03814083 0.00684714 29 -0.21430247 -0.31540526 0.56488820 Zr 6.02605595 8.06700645 2.05458351 40 -1.34532674 0.88076002 -2.79581854 Cu 4.07009917 10.09993925 2.02372732 29 -0.41047689 -0.74102524 -0.52050325 Zr 8.05873748 8.05501991 -0.03891726 40 -1.41313054 -0.15771798 -2.20024796 Zr 10.04105994 10.07480103 0.03365612 40 0.71373967 0.37489837 -0.57662721 Zr 10.05899126 8.00660887 2.05358609 40 2.69641110 0.31608569 1.07482995 Zr 8.07870838 10.07039513 1.98915859 40 -0.12705297 2.42192279 0.18215147 Zr -0.01528236 -0.02120693 3.99640332 40 -0.58710371 -0.50057771 1.54014387 Zr 1.98502060 2.03275658 4.01126208 40 0.62533491 0.50788529 1.59193303 Cu 2.01935615 0.02054745 6.07889903 29 0.00778962 0.97027037 0.11341923 Cu 0.01521457 2.04910441 6.10588950 29 0.58516985 0.07755833 0.01620370 Cu 4.06718354 0.02402076 4.02976147 29 -0.08397251 0.33733202 0.31434624 Zr 6.04130410 2.00123763 4.00083473 40 -1.30198924 0.01313806 1.32002814 Cu 6.03640482 0.01983473 6.04662160 29 -0.34991216 0.25399169 -0.02025624 Cu 4.02364756 1.97854458 6.06665586 29 -0.05006395 -0.51044589 -0.33216141 Zr 8.08332249 -0.01955464 4.06734361 40 -0.21402971 -1.20154710 -0.91135816 Cu 10.11560969 2.03742879 3.97743134 29 -0.72395861 -0.12512536 0.31696120 Zr 10.06116703 -0.01732773 6.02784609 40 1.47172016 -0.68443215 -0.47586785 Zr 8.07824337 2.03684172 6.06086939 40 -0.19578627 1.45134547 -1.59640287 Cu -0.01390766 4.03473387 4.08771797 29 0.42762211 -0.14329160 -0.29457606 Cu 2.02550869 6.09563523 3.98879028 29 -0.23749723 -0.17406663 0.15298482 Zr 1.95695020 4.04914066 6.01628938 40 0.32304566 -0.10889223 0.14864013 Zr 0.04124436 6.08014502 5.98978893 40 0.00361201 0.69556914 0.22446510 Cu 4.05472022 4.05913516 4.01109441 29 -0.57149871 0.02684068 0.59889853 Zr 6.02916742 6.03619045 3.99829696 40 0.32563787 -1.88885491 2.34214103 Cu 5.96855448 4.09277736 5.98956453 29 -0.01105760 -0.16728165 0.07720261 Cu 4.04001741 5.97841212 6.04433799 29 -0.93249606 0.23165839 -0.37637513 Cu 8.02809477 3.98336399 4.06262873 29 0.90664759 0.33302094 0.63384099 Cu 10.10397201 6.07264003 4.00920486 29 -0.60272271 -0.30586943 0.44815277 Cu 10.04786945 4.04967800 6.05048792 29 -0.34925356 0.12636244 -0.46934616 Cu 8.03753518 6.04263715 6.02876804 29 1.16320464 -0.62482446 -0.10508370 Cu -0.01965605 8.09052316 4.04576850 29 1.20441114 0.40847351 -0.33016381 Cu 2.01497884 10.06594785 4.05778827 29 -0.19051801 -0.78509637 0.12108579 Cu 1.96511747 8.07618230 6.02147849 29 -0.18549503 0.10110041 -0.00874151 Cu 0.00996162 10.07878300 6.00743553 29 0.88814307 -1.17004574 0.23585638 Zr 4.00031021 8.08223264 4.01662724 40 -2.90154237 0.64900321 0.88541527 Zr 6.01167481 10.09548311 4.03035445 40 -0.44593133 2.43534799 0.64820237 Zr 6.08163267 8.06323966 6.00747319 40 -0.21953299 0.74192314 0.97884924 Cu 3.99114689 10.08141815 6.02239541 29 -0.31350133 -0.38901343 0.08850959 Zr 8.09088916 8.08741557 3.99380218 40 2.22826319 0.03040434 2.48869090 Cu 10.05154711 10.10249063 3.99589771 29 -0.55492643 -0.44342329 0.31978591 Cu 10.07790804 8.11066370 6.05763932 29 -0.72226378 -0.03815698 -0.33035148 Cu 8.03471045 10.09852438 6.00886076 29 0.52738877 -0.30632159 0.21206110 Zr -0.01632758 -0.00342738 8.02486238 40 0.46893201 0.36895339 -1.21849432 Cu 2.03828812 2.05534710 8.04279736 29 0.03459295 -0.68124911 -0.26899071 Zr 2.03612544 -0.00326989 10.08872346 40 1.15448878 0.32967549 -0.45900605 Zr 0.02119578 1.97918540 10.07275739 40 -0.31634374 0.63466911 -0.26562813 Cu 3.97924549 -0.02139441 8.07925555 29 -0.00500146 1.00771346 -0.00796799 Zr 6.03334758 1.98049548 8.04019103 40 -1.28286453 -1.29132004 0.26233622 Cu 5.97472145 0.00751749 10.04902468 29 -0.13558587 0.81479716 -0.56616136 Cu 4.04118345 2.02725804 10.04257070 29 -0.42732981 -0.64320874 -0.40949440 Zr 8.05290883 0.00519585 8.02616021 40 -1.30470606 -1.78477260 0.99355750 Zr 10.05974497 2.01862973 8.04238644 40 1.88201648 1.24227821 0.83652972 Zr 10.07292358 0.04639200 10.06089702 40 -0.18427919 0.16517398 0.19668040 Cu 8.06586642 1.98682797 10.10454911 29 0.13443534 -0.00539256 -0.40955781 Cu 0.02340472 4.01833206 8.06626780 29 0.79690063 -0.05594808 0.09313594 Cu 2.00397107 6.07963612 8.06328028 29 -0.32080340 0.45740081 0.28748823 Zr 2.00521300 4.04498919 10.06345305 40 -0.06183161 0.58990107 0.07018865 Cu -0.00899275 6.06414480 10.11613233 29 0.80545622 0.12778252 -1.12982996 Zr 4.05823946 3.99395532 8.09895714 40 -1.06745476 0.21259659 -0.90818047 Zr 6.08561241 6.05432148 8.08462691 40 -0.97515953 -0.80391785 -1.54512433 Zr 6.04392692 4.01732528 10.11093006 40 -0.31248959 -0.66184257 2.26314373 Cu 4.04161953 6.04760531 10.09795488 29 -0.41942851 0.13284876 -0.27210640 Zr 8.09094974 3.99102854 8.09746964 40 1.28780577 0.88961689 -0.57669505 Cu 10.10532217 6.08754729 8.06564751 29 -0.69011767 -0.01819605 -0.05935113 Cu 10.09673095 4.02364060 10.10575111 29 -0.72757193 -0.22696479 -0.57310122 Zr 8.08439976 6.10575324 10.06677339 40 2.15390136 -0.19707519 1.62046899 Cu 0.03266563 8.09855444 8.10481004 29 1.04676730 -0.01731191 0.02989038 Zr 2.05104112 10.03416133 8.10062473 40 -0.31446945 0.06150288 -0.68818754 Cu 2.04055927 8.09421013 10.04556214 29 -0.18399481 -0.34661032 -0.55772486 Zr 0.03522295 10.06394844 10.07150706 40 0.48324821 -0.82833322 -0.32131011 Zr 4.01687053 8.06663407 8.06878378 40 -1.25954437 -0.04844044 -0.14506704 Cu 6.01043035 10.05644247 8.01515854 29 -0.07557909 -0.37633481 -0.06011478 Zr 6.02803035 8.02589354 10.09514346 40 -1.34695221 1.05648769 1.54403796 Cu 3.97986553 10.05864355 10.08413721 29 -0.08857378 -0.48178149 -0.48442702 Zr 8.05086855 8.06678596 8.03656228 40 1.71818198 0.41293240 -1.29280224 Zr 10.03440894 10.06716850 8.03354728 40 0.24348625 -0.26255790 -0.66534102 Cu 10.11525752 8.11744635 10.11631315 29 -0.68018708 -0.00706788 -0.71555693 Zr 8.07344720 10.03556989 10.09422595 40 -0.24023487 0.35900596 0.30446843