108 Lattice="12.054560204629212 0.0 0.0 0.0 12.054560204629212 0.0 0.0 0.0 12.054560204629212" Properties=species:S:1:pos:R:3:forces:R:3 energy=-439.5258452726836 stress="3.440625729502738 1.9352612102583393 -1.7644348446728557 1.9352612102583393 -0.08529902542595913 -1.210312408067864 -1.7644348446728557 -1.210312408067864 0.41302376948563957" pbc="F F F" Zr 0.00392996 0.00959095 -0.01084760 1.12378370 1.11564828 1.49723922 Cu 1.99173099 2.01013792 0.02377177 -0.29231607 -0.28189423 0.83831487 Cu 2.04346171 -0.01727816 1.97896083 -0.34138018 0.87527730 -0.32750287 Cu -0.02066982 1.98021386 2.02718638 1.25726125 0.11030755 -0.21528825 Cu 4.01910637 0.03015883 -0.00048239 -0.31422250 0.81507190 0.85267367 Cu 6.00413477 1.95133981 -0.02447709 0.17229011 -0.04796983 0.95002585 Cu 6.02090441 -0.02509772 2.03227575 0.29627411 0.85617656 -0.58306362 Zr 4.03727432 2.01453601 2.03789561 -1.68001445 -1.68017121 -1.78387412 Cu 8.10838551 -0.03583464 0.00249619 0.00902486 0.93177533 1.05529157 Cu 10.06269264 2.03712958 -0.03214032 -0.92322825 -0.13931801 0.85896698 Zr 10.02713548 -0.03113055 1.99324936 -0.35209310 1.03503510 -0.29678261 Cu 8.08612489 2.04710760 1.97434863 0.00705095 -0.51508716 -0.46352438 Cu -0.02312730 4.05524207 0.03131111 0.87532553 -0.19032110 0.77767509 Cu 1.99290252 5.99366201 0.00408965 -0.05096429 -0.13393125 0.64503881 Cu 1.99063403 4.04186017 2.02225563 -0.50002711 -0.76638902 -0.57394554 Zr 0.02609456 6.06244352 2.04905491 -0.35954675 -1.51902784 -0.86920756 Cu 4.05585311 3.95047177 0.02249150 -0.46288332 -0.06500725 0.36775845 Zr 6.02381571 6.03036676 -0.00547470 1.65171400 -0.79902783 -1.66244149 Zr 5.99579118 3.99396208 2.03313782 2.48004766 -0.46902064 -1.86750332 Zr 3.98638368 6.00812660 1.97596444 -2.12557943 0.04117134 -0.55123401 Cu 8.07647435 4.04056073 0.02156476 0.28999993 -0.29653870 0.51656708 Cu 10.02738367 6.04173896 -0.01877126 -0.97969863 -0.01947571 0.87678842 Zr 10.08215295 4.04376669 1.98583354 -0.70009646 -0.80863873 -0.55017097 Cu 8.07509469 6.02925954 2.03738771 0.12927296 0.10039226 -0.57839171 Zr -0.01462693 8.01555572 0.01479410 0.18920054 -0.60790835 -0.53022689 Zr 2.03631553 10.02892518 0.02752649 -0.09020940 0.72433456 -0.90557920 Cu 1.97644565 8.04054016 2.00128891 0.31089049 -0.12487705 -0.23982951 Zr -0.00440970 10.08557106 2.01608065 -0.87722204 0.71397337 -0.06825893 Zr 4.05267265 8.01004546 0.01590584 -1.56568886 -0.55353767 -1.97888333 Zr 6.03926817 10.07354644 -0.03084525 0.61634522 0.73802819 -1.38636021 Zr 6.00756248 8.03715335 1.99733893 1.27056037 0.27301854 1.46994111 Zr 3.99411498 10.06554936 1.97182296 0.16331535 1.18663659 1.69076351 Cu 8.00819543 8.07243281 -0.03746176 0.41604797 -0.02186255 0.41791846 Cu 10.04151558 10.05017997 -0.03104175 -0.83225747 -0.64303922 0.61605191 Zr 10.00536177 8.05100426 2.04190425 0.14865693 0.00762457 -1.01693269 Zr 8.03019523 10.02896735 2.01487578 0.67881511 0.77752224 0.47897345 Zr 0.00632780 0.02130465 3.99262904 0.88878468 0.38345279 -0.67424367 Cu 2.01518521 2.04039255 4.03962595 -0.53136923 -0.43683430 -0.59053861 Cu 1.99958723 0.02240823 5.96482219 -0.02194360 0.58446517 0.20183076 Zr -0.01875845 1.99980483 6.09393708 -0.17015085 0.72366629 -0.37477006 Cu 4.01991744 0.02857665 4.00629388 -0.30123473 0.35439930 -0.16547363 Zr 6.00722128 2.02445928 3.99478601 1.21035588 -1.99038372 -0.39194534 Cu 6.02552268 -0.03497227 6.00711830 0.13633677 0.36769529 0.41881939 Zr 4.01479393 1.96950996 6.01927392 -1.48779066 -2.96756279 0.16681701 Zr 8.04814927 0.00179188 4.05709090 -0.66158041 -0.74272533 -0.91842607 Cu 10.05804707 1.95768475 3.99261796 -0.67272222 0.35012461 -0.15645539 Zr 10.07578272 -0.02118615 6.00726076 0.37915820 0.24480590 0.60950629 Zr 8.04775656 2.02030698 6.02065823 1.54152812 -0.11087233 0.18327734 Cu -0.02358895 4.01262348 4.01887461 0.78311783 -0.23093261 -0.11173916 Zr 2.00158794 6.04668233 4.02496618 0.08589131 0.47910800 0.77824485 Zr 2.02230004 4.04382282 6.08946246 -1.81222788 -0.11570917 -0.24768937 Cu -0.02287022 6.02593494 5.99024116 0.30666643 -0.41062596 0.09993427 Zr 4.02682568 4.03002101 4.05590844 -1.84477040 0.12108251 -0.26028008 Zr 6.03018264 6.01788780 4.01794113 0.83552075 1.66636791 0.55110693 Zr 5.99578285 4.05410794 6.01233955 0.37396317 1.13312345 0.19495477 Cu 3.99452585 6.01637835 6.05931413 0.42669289 1.13851611 -0.23364700 Cu 8.07429679 3.98162814 3.99976973 0.65012341 -0.33178050 -0.09946714 Zr 10.03702963 6.06446504 4.02375001 0.46972300 -0.99736651 0.05356732 Cu 10.03090731 4.02346597 5.98763695 -0.42137012 -0.20499936 0.13149396 Zr 8.04068704 6.04160257 6.05148033 0.10977846 -0.25989725 -0.00579270 Zr 0.00157173 8.01962214 4.00948839 -1.21781295 0.21103717 1.49009694 Zr 1.95646858 10.05364267 4.01716089 0.32862820 0.49012850 0.61341295 Cu 1.99993176 8.06548847 5.98273365 -0.07413735 -0.26042277 0.37467554 Cu 0.03209890 10.06642983 5.99647195 0.44619985 -0.37789195 0.01460211 Cu 4.04728840 8.10063665 4.03557176 -0.27561098 -0.09482710 0.43809912 Cu 6.08717180 10.07219650 4.00127704 -0.23513409 -0.81543798 0.20941926 Cu 6.01986596 8.03879752 5.99876067 0.38778709 0.42975320 -0.03990079 Zr 4.03679202 10.05729489 6.04195405 1.12202550 0.07816278 -0.58562255 Cu 8.00518928 8.00257826 3.97841469 0.13148083 0.92580439 0.72986944 Cu 10.07022414 10.02547772 3.98417771 -0.65830023 -0.67821611 0.34197125 Zr 10.01919995 8.06643261 6.02703185 1.00458688 0.72105486 -0.61274154 Cu 8.03875319 10.04385072 6.04932950 -0.37012774 -0.76396375 -0.33482492 Zr 0.01054778 0.00223533 8.00695417 0.03441305 -0.68388529 -0.70333328 Cu 1.98485860 1.99240018 8.00519209 -0.01554229 -0.03893728 0.35248911 Zr 2.01506806 0.00446922 9.98254551 0.72884861 -0.54524017 -0.04225964 Zr -0.02357189 1.99596377 10.04465013 0.28180547 1.52825180 -0.29323125 Cu 3.99656754 0.00570184 8.01062134 -0.35868082 0.28857114 -0.13726850 Zr 5.99094051 1.99868685 8.04186465 1.12526772 -2.30597253 -0.07553849 Zr 6.03529668 -0.02440320 9.97789899 0.44159288 -0.41480397 -0.09716880 Zr 4.01113681 2.00952405 10.04479165 -1.44475069 -0.13030270 1.24138613 Cu 8.02350690 0.03351643 8.03142432 0.58384169 0.68385952 0.05958401 Cu 10.05783556 2.02485382 8.03014028 -0.75852752 -0.36994046 0.38145201 Cu 10.04410000 0.01028336 10.01148240 -0.97296833 1.01443509 -0.97630639 Cu 8.02285485 2.04915139 10.04064341 0.42851645 -0.61089096 -0.72477621 Cu 0.01368197 4.04366894 7.99062680 0.50046785 -0.07959897 0.31099201 Zr 2.01447317 6.05571733 8.04098187 -0.03882432 -0.92322360 -0.56974254 Cu 2.00028634 3.99583650 10.06318471 0.01750310 0.02496835 -0.71679070 Zr 0.01282406 5.99741423 10.01095004 -0.72731549 -1.33402484 0.66025575 Zr 4.04966385 4.00239398 8.05405624 -1.28486013 1.39557900 0.88419545 Cu 5.99613252 6.00111677 8.03504103 -0.13136256 0.71336711 0.46493111 Zr 6.00743076 4.02955507 10.08200280 1.04917371 1.32501117 1.64663724 Cu 4.06627117 6.03989660 10.07957325 -0.22111784 -0.09988649 -0.26350836 Zr 8.03782132 4.01127586 8.03444264 1.70933802 0.49137108 0.86275909 Cu 10.08269502 5.99218333 8.02506754 -0.47583612 0.26589394 0.19099547 Zr 10.03258950 3.99852062 10.07369498 -0.50209660 0.05849039 -0.46111104 Cu 8.04260590 6.01271607 10.03561465 0.29868874 0.28189943 -0.66629536 Zr -0.01993939 8.07090666 8.06759051 -1.98678160 -0.33924135 -2.42567459 Zr 1.94114853 10.00539794 8.03976474 0.39747272 1.85779158 -0.84953379 Zr 1.97290635 8.00704336 10.06155783 1.59139455 0.04019882 2.58746742 Zr 0.02301487 10.02033350 10.06766091 -0.74883748 0.67308926 0.83791795 Zr 4.04397595 8.03777634 8.10946774 1.97825814 -0.40832137 -0.18677584 Cu 6.04468756 10.06812794 8.02177883 0.20475541 -0.67732671 0.32663577 Cu 6.04495433 8.05871592 10.03780143 -0.06021890 -0.00338442 -0.49440256 Cu 3.98405383 10.07884924 10.04099594 0.05536270 -0.54765400 -0.73312720 Zr 8.03559809 7.99251496 8.07313793 -1.15103679 0.29580124 1.39011948 Zr 10.06973725 10.02284389 8.00493865 -0.36404305 0.35204244 0.64312699 Cu 10.03798668 8.08938652 10.05135226 -0.80854396 -0.20353157 -0.90348742 Cu 7.99192143 10.06823103 10.02228966 0.12412915 -0.80570370 -0.77974169