108 Lattice="12.05456021653074 0.0 0.0 0.0 12.05456021653074 0.0 0.0 0.0 12.05456021653074" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-439.5258452689657 pbc="F F F" Zr 0.00392996 0.00959095 -0.01084760 40 1.12378370 1.11564828 1.49723922 Cu 1.99173099 2.01013792 0.02377177 29 -0.29231607 -0.28189423 0.83831488 Cu 2.04346171 -0.01727816 1.97896083 29 -0.34138018 0.87527731 -0.32750287 Cu -0.02066982 1.98021386 2.02718638 29 1.25726126 0.11030754 -0.21528825 Cu 4.01910637 0.03015883 -0.00048239 29 -0.31422250 0.81507191 0.85267368 Cu 6.00413478 1.95133981 -0.02447709 29 0.17229010 -0.04796983 0.95002586 Cu 6.02090442 -0.02509772 2.03227575 29 0.29627411 0.85617657 -0.58306361 Zr 4.03727433 2.01453602 2.03789561 40 -1.68001444 -1.68017121 -1.78387411 Cu 8.10838552 -0.03583464 0.00249619 29 0.00902486 0.93177533 1.05529158 Cu 10.06269265 2.03712958 -0.03214032 29 -0.92322826 -0.13931801 0.85896699 Zr 10.02713549 -0.03113055 1.99324936 40 -0.35209311 1.03503511 -0.29678261 Cu 8.08612490 2.04710760 1.97434863 29 0.00705095 -0.51508715 -0.46352437 Cu -0.02312730 4.05524207 0.03131111 29 0.87532553 -0.19032110 0.77767509 Cu 1.99290252 5.99366202 0.00408965 29 -0.05096429 -0.13393125 0.64503882 Cu 1.99063403 4.04186017 2.02225564 29 -0.50002710 -0.76638901 -0.57394554 Zr 0.02609456 6.06244353 2.04905491 40 -0.35954673 -1.51902783 -0.86920756 Cu 4.05585311 3.95047177 0.02249150 29 -0.46288332 -0.06500725 0.36775846 Zr 6.02381572 6.03036676 -0.00547470 40 1.65171399 -0.79902783 -1.66244146 Zr 5.99579119 3.99396209 2.03313782 40 2.48004765 -0.46902063 -1.86750331 Zr 3.98638368 6.00812661 1.97596445 40 -2.12557941 0.04117134 -0.55123400 Cu 8.07647435 4.04056073 0.02156476 29 0.28999993 -0.29653870 0.51656710 Cu 10.02738368 6.04173897 -0.01877126 29 -0.97969863 -0.01947571 0.87678843 Zr 10.08215296 4.04376669 1.98583354 40 -0.70009648 -0.80863873 -0.55017097 Cu 8.07509469 6.02925955 2.03738772 29 0.12927296 0.10039226 -0.57839170 Zr -0.01462693 8.01555573 0.01479410 40 0.18920056 -0.60790834 -0.53022687 Zr 2.03631553 10.02892519 0.02752649 40 -0.09020940 0.72433455 -0.90557919 Cu 1.97644565 8.04054017 2.00128891 29 0.31089049 -0.12487705 -0.23982950 Zr -0.00440970 10.08557107 2.01608065 40 -0.87722203 0.71397335 -0.06825893 Zr 4.05267265 8.01004547 0.01590584 40 -1.56568886 -0.55353767 -1.97888331 Zr 6.03926818 10.07354645 -0.03084525 40 0.61634522 0.73802817 -1.38636019 Zr 6.00756249 8.03715335 1.99733894 40 1.27056037 0.27301853 1.46994110 Zr 3.99411498 10.06554937 1.97182296 40 0.16331535 1.18663656 1.69076350 Cu 8.00819544 8.07243282 -0.03746176 29 0.41604796 -0.02186255 0.41791847 Cu 10.04151559 10.05017998 -0.03104175 29 -0.83225748 -0.64303922 0.61605192 Zr 10.00536177 8.05100427 2.04190425 40 0.14865691 0.00762457 -1.01693268 Zr 8.03019524 10.02896736 2.01487578 40 0.67881511 0.77752222 0.47897344 Zr 0.00632780 0.02130465 3.99262905 40 0.88878468 0.38345280 -0.67424367 Cu 2.01518521 2.04039255 4.03962595 29 -0.53136923 -0.43683430 -0.59053861 Cu 1.99958723 0.02240823 5.96482220 29 -0.02194360 0.58446518 0.20183076 Zr -0.01875845 1.99980483 6.09393709 40 -0.17015083 0.72366629 -0.37477006 Cu 4.01991745 0.02857665 4.00629388 29 -0.30123473 0.35439931 -0.16547363 Zr 6.00722129 2.02445928 3.99478601 40 1.21035588 -1.99038371 -0.39194533 Cu 6.02552269 -0.03497227 6.00711830 29 0.13633677 0.36769531 0.41881939 Zr 4.01479394 1.96950997 6.01927393 40 -1.48779065 -2.96756277 0.16681701 Zr 8.04814928 0.00179188 4.05709091 40 -0.66158041 -0.74272531 -0.91842608 Cu 10.05804708 1.95768475 3.99261796 29 -0.67272223 0.35012460 -0.15645539 Zr 10.07578273 -0.02118615 6.00726077 40 0.37915818 0.24480591 0.60950628 Zr 8.04775657 2.02030699 6.02065823 40 1.54152811 -0.11087233 0.18327734 Cu -0.02358895 4.01262349 4.01887462 29 0.78311784 -0.23093261 -0.11173916 Zr 2.00158794 6.04668233 4.02496619 40 0.08589131 0.47910800 0.77824485 Zr 2.02230004 4.04382282 6.08946246 40 -1.81222787 -0.11570917 -0.24768937 Cu -0.02287022 6.02593495 5.99024116 29 0.30666645 -0.41062595 0.09993427 Zr 4.02682568 4.03002101 4.05590844 40 -1.84477039 0.12108251 -0.26028008 Zr 6.03018265 6.01788780 4.01794114 40 0.83552074 1.66636790 0.55110692 Zr 5.99578286 4.05410794 6.01233956 40 0.37396318 1.13312343 0.19495478 Cu 3.99452585 6.01637835 6.05931414 29 0.42669288 1.13851609 -0.23364700 Cu 8.07429680 3.98162814 3.99976973 29 0.65012340 -0.33178050 -0.09946714 Zr 10.03702964 6.06446505 4.02375002 40 0.46972298 -0.99736650 0.05356732 Cu 10.03090732 4.02346598 5.98763696 29 -0.42137014 -0.20499936 0.13149396 Zr 8.04068705 6.04160258 6.05148034 40 0.10977846 -0.25989725 -0.00579270 Zr 0.00157173 8.01962215 4.00948840 40 -1.21781293 0.21103717 1.49009693 Zr 1.95646858 10.05364268 4.01716089 40 0.32862821 0.49012848 0.61341295 Cu 1.99993177 8.06548847 5.98273365 29 -0.07413735 -0.26042277 0.37467554 Cu 0.03209890 10.06642984 5.99647195 29 0.44619986 -0.37789196 0.01460211 Cu 4.04728841 8.10063666 4.03557177 29 -0.27561098 -0.09482710 0.43809912 Cu 6.08717180 10.07219651 4.00127704 29 -0.23513409 -0.81543799 0.20941926 Cu 6.01986597 8.03879753 5.99876067 29 0.38778709 0.42975319 -0.03990079 Zr 4.03679203 10.05729490 6.04195406 40 1.12202550 0.07816276 -0.58562255 Cu 8.00518929 8.00257827 3.97841470 29 0.13148083 0.92580438 0.72986943 Cu 10.07022415 10.02547773 3.98417771 29 -0.65830024 -0.67821612 0.34197125 Zr 10.01919996 8.06643262 6.02703186 40 1.00458686 0.72105485 -0.61274153 Cu 8.03875320 10.04385073 6.04932951 29 -0.37012774 -0.76396376 -0.33482491 Zr 0.01054778 0.00223533 8.00695417 40 0.03441306 -0.68388528 -0.70333327 Cu 1.98485860 1.99240019 8.00519210 29 -0.01554229 -0.03893728 0.35248910 Zr 2.01506806 0.00446922 9.98254552 40 0.72884861 -0.54524016 -0.04225965 Zr -0.02357189 1.99596377 10.04465014 40 0.28180549 1.52825179 -0.29323127 Cu 3.99656754 0.00570184 8.01062135 29 -0.35868081 0.28857116 -0.13726849 Zr 5.99094052 1.99868685 8.04186466 40 1.12526772 -2.30597252 -0.07553850 Zr 6.03529668 -0.02440320 9.97789900 40 0.44159288 -0.41480396 -0.09716881 Zr 4.01113682 2.00952406 10.04479166 40 -1.44475069 -0.13030270 1.24138611 Cu 8.02350691 0.03351643 8.03142433 29 0.58384168 0.68385953 0.05958400 Cu 10.05783557 2.02485382 8.03014028 29 -0.75852753 -0.36994046 0.38145200 Cu 10.04410001 0.01028336 10.01148241 29 -0.97296834 1.01443509 -0.97630639 Cu 8.02285486 2.04915139 10.04064342 29 0.42851644 -0.61089096 -0.72477622 Cu 0.01368197 4.04366894 7.99062681 29 0.50046787 -0.07959897 0.31099200 Zr 2.01447317 6.05571734 8.04098188 40 -0.03882432 -0.92322359 -0.56974254 Cu 2.00028634 3.99583651 10.06318472 29 0.01750310 0.02496834 -0.71679072 Zr 0.01282406 5.99741424 10.01095005 40 -0.72731548 -1.33402483 0.66025573 Zr 4.04966385 4.00239398 8.05405625 40 -1.28486013 1.39557900 0.88419544 Cu 5.99613252 6.00111678 8.03504104 29 -0.13136256 0.71336711 0.46493110 Zr 6.00743077 4.02955507 10.08200281 40 1.04917371 1.32501116 1.64663721 Cu 4.06627117 6.03989661 10.07957326 29 -0.22111784 -0.09988649 -0.26350838 Zr 8.03782133 4.01127587 8.03444265 40 1.70933801 0.49137108 0.86275908 Cu 10.08269503 5.99218334 8.02506754 29 -0.47583614 0.26589394 0.19099546 Zr 10.03258951 3.99852062 10.07369499 40 -0.50209661 0.05849039 -0.46111105 Cu 8.04260591 6.01271607 10.03561466 29 0.29868874 0.28189942 -0.66629537 Zr -0.01993939 8.07090666 8.06759052 40 -1.98678158 -0.33924136 -2.42567458 Zr 1.94114853 10.00539795 8.03976475 40 0.39747272 1.85779156 -0.84953379 Zr 1.97290636 8.00704337 10.06155784 40 1.59139454 0.04019882 2.58746739 Zr 0.02301487 10.02033351 10.06766092 40 -0.74883747 0.67308925 0.83791794 Zr 4.04397595 8.03777635 8.10946775 40 1.97825813 -0.40832137 -0.18677584 Cu 6.04468757 10.06812795 8.02177883 29 0.20475541 -0.67732672 0.32663576 Cu 6.04495433 8.05871593 10.03780144 29 -0.06021890 -0.00338442 -0.49440258 Cu 3.98405383 10.07884925 10.04099595 29 0.05536270 -0.54765401 -0.73312721 Zr 8.03559810 7.99251497 8.07313794 40 -1.15103679 0.29580125 1.39011947 Zr 10.06973726 10.02284390 8.00493866 40 -0.36404307 0.35204242 0.64312699 Cu 10.03798669 8.08938653 10.05135227 29 -0.80854397 -0.20353157 -0.90348743 Cu 7.99192144 10.06823104 10.02228967 29 0.12412915 -0.80570370 -0.77974170