256 Lattice="16.185422030273635 0.0 0.0 0.0 16.185422030273635 0.0 0.0 0.0 16.185422030273635" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1239.8845428194245 stress="13.859764110425242 -6.027951272143781 1.7583089565476993 -6.027951272143781 -0.8726292330831598 0.34888204713256243 1.7583089565476993 0.34888204713256243 -13.76089158532961" pbc="F F F" Zr 0.01137283 -0.01347480 -0.01027805 -0.41310149 -0.49596633 -0.53763324 Zr 2.04882619 2.04381325 0.01128033 0.63642584 1.44145419 -1.60003938 Zr 2.05309453 -0.01444009 2.05138197 0.48714232 -2.32993114 0.55317557 Zr 0.02578661 2.02880050 1.98743785 -1.54114616 0.88496319 0.13884156 Ni 4.00546515 0.02246718 0.03506327 0.04995385 0.61570161 0.71168106 Zr 6.05463841 2.03551093 0.03277598 -0.93021460 0.69409603 -0.83649098 Ni 6.10201179 -0.02689018 2.03924014 -0.19311565 0.69747836 -0.06563335 Zr 4.02055395 2.04553531 2.06763392 0.87304570 0.86358617 -0.21215496 Zr 8.12796186 -0.00665601 0.01747908 -0.97654609 -1.67420662 -0.75983523 Zr 10.04014595 2.00066537 -0.00279758 0.45209207 0.97040239 -1.76791367 Zr 10.15266695 0.00062816 2.02846733 -0.09458971 -1.55410920 0.75565950 Zr 8.08688503 2.03634954 1.98648635 0.02022357 0.71419070 1.12325073 Ni 12.19538248 -0.03714183 -0.03936536 -0.07244898 0.93150133 0.92531925 Ni 14.17014547 1.96579857 0.01973485 -0.96348099 0.07925044 0.88155274 Ni 14.15226778 0.00366400 2.04013081 -0.96637183 0.95760647 -0.13084158 Zr 12.15149361 2.04492504 1.99971910 1.62319571 0.72973113 0.66912905 Ni -0.00634902 4.01872855 -0.02261238 0.77068250 -0.00909592 0.80056194 Zr 2.01882416 6.05815425 -0.00987879 0.81018964 -1.91200031 -1.59219042 Ni 1.97494120 4.04679951 1.97306410 0.12649553 0.32843958 0.05357184 Zr -0.02076672 6.09838400 2.00680727 -0.84084112 -2.01574242 0.21491993 Ni 4.02610289 4.09301884 0.02419420 0.17103110 -0.02333080 0.71659398 Ni 6.01346264 6.07596254 -0.03439232 -0.16021593 0.05027477 0.89715014 Ni 6.08528780 4.04264166 2.02728808 -0.26662205 0.37517719 -0.40339108 Zr 4.05726449 6.10782000 2.02435002 1.80398078 -1.12460639 0.93265341 Ni 8.09462948 4.04014350 -0.02065612 0.02986347 0.20371620 0.85062912 Ni 10.10504448 6.08235979 0.01128329 -0.04707902 -0.15898817 0.69181987 Ni 10.04265112 4.02721508 1.96316019 0.25705009 0.16437863 -0.11702587 Zr 8.06578554 6.08114964 1.98385397 -0.95818260 -0.00280277 -0.87112755 Zr 12.12366208 4.06103165 0.02861346 -0.27158701 -0.20893649 -0.97290405 Zr 14.12191673 6.03630535 0.03331952 1.70820843 0.28668381 -0.01632749 Ni 14.14577204 4.08154029 1.97284085 -0.57164900 -0.29449848 0.17866720 Zr 12.12081443 6.08231574 1.99903761 -0.77909226 -1.00512361 0.14720867 Zr 0.03188403 8.06656831 0.01895421 -0.93160142 1.75994792 -0.86999281 Ni 2.01402664 10.15538187 0.00857604 -0.14149632 0.24068849 0.91977791 Zr 1.99076034 8.08542598 1.99339186 0.85673083 1.02751665 0.33606882 Ni 0.01714090 10.07610190 1.99860423 0.75912624 0.40738197 -0.18724229 Ni 4.06583038 8.10562659 0.02842672 0.23677260 0.05476024 0.56285670 Ni 6.06520321 10.13432173 0.00225870 -0.08963538 -0.18467871 0.67207167 Ni 6.04520738 8.08341571 2.00615405 -0.08963910 0.02794106 0.10395223 Zr 4.00936228 10.09747639 2.05567779 1.23577729 0.35284219 -0.98295147 Zr 8.11225191 8.09969199 -0.02611532 0.00450420 0.07278134 -0.52281622 Ni 10.11430644 10.10464786 -0.02512111 0.23426196 0.22462462 0.67484425 Ni 10.15367310 8.11490825 2.00599505 -0.52007235 0.04219165 -0.48882533 Zr 8.09022139 10.12934710 2.01939483 0.12260476 -2.84561692 0.85563576 Zr 12.17371793 8.11456374 -0.03446651 -1.81595362 -0.16387662 -0.86792717 Zr 14.12433792 10.09638164 0.00884902 0.82938889 0.22816007 -0.66879380 Ni 14.13690514 8.13131940 1.96761056 -0.34010432 -0.08501024 0.14338784 Zr 12.11063921 10.11636011 2.03316957 -0.60991596 0.35384050 0.67074125 Ni 0.01522229 12.20686044 -0.01925674 0.96266752 -0.13224275 1.01706638 Zr 1.98580770 14.13688630 -0.02635188 0.90115292 -1.22753732 0.63056129 Ni 2.06501822 12.09512115 1.99903020 -0.32900415 0.31720990 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0.44328673 -0.15568850 Zr 2.01649657 1.99033828 4.10782738 1.68584068 0.22456914 -0.36286065 Zr 2.04327414 0.02917551 6.09438908 0.92076236 -1.82267898 -0.09241546 Zr -0.01947953 2.00982038 6.08343584 -2.67069413 -0.58561059 0.87283859 Ni 4.05312101 -0.04038103 4.02688682 0.26627105 0.63404623 0.33933488 Zr 6.05725914 2.02860332 4.04655071 -0.89816418 -0.97431754 1.77821898 Ni 6.08408825 -0.02891575 6.07330329 0.01451766 0.90106242 -0.01252418 Ni 4.10394603 2.03854515 6.06633236 0.14404260 -0.18352102 0.03203232 Ni 8.08173909 0.03756504 4.03057695 0.10365285 0.72406952 0.01565094 Ni 10.16179744 2.03900420 4.04883452 0.00776097 -0.05429687 -0.03593297 Zr 10.11496394 -0.01124555 6.06160319 -0.92384736 1.16883274 0.95471148 Ni 8.07720936 2.01895255 6.06198774 0.08032353 -0.40625420 0.02673453 Zr 12.11894871 0.02678363 4.03124016 1.93907670 0.15016818 1.02173275 Ni 14.15755819 1.97297677 4.00661246 -0.90507859 -0.01072664 0.23942213 Ni 14.19986677 -0.03657315 6.06066836 -1.15897313 1.04869936 -0.06976620 Ni 12.11161955 1.99134529 6.07530678 0.49483135 -0.11094251 0.10713043 Zr 0.00729301 4.06244261 4.04807578 -0.80119327 0.85602587 -1.07801419 Ni 2.09077744 6.04915336 4.01315363 -0.02149078 0.23337014 0.21531207 Zr 2.00677832 4.07891995 6.05815604 2.64696737 0.73268979 0.14752922 Zr 0.02012801 6.08286358 6.08255300 -0.93399046 0.81032205 0.71736208 Ni 4.00337628 4.08772115 4.04232294 0.21241818 0.20036101 0.04186844 Ni 6.04720016 6.12811702 4.07168202 -0.08108156 -0.15475213 -0.28117138 Ni 6.04127162 4.08377226 6.06998880 -0.63316499 0.05835453 -0.09968867 Ni 4.05962051 6.04171307 5.99855566 0.18404509 0.00979348 -0.00976836 Zr 8.07785583 4.05689336 4.02788282 -0.97440807 -1.00234826 0.04301320 Zr 10.07870073 6.09291705 4.03068130 1.14580442 -0.26678490 -1.10755505 Zr 10.12859206 4.02393354 6.04564842 1.94343237 -2.88213637 -0.72605724 Zr 8.11668940 6.03515910 6.07405940 -2.95410182 0.20244540 -1.01593798 Ni 12.17375490 4.01133675 4.04438581 0.15832496 -0.21560067 0.03089715 Zr 14.20134977 6.07786661 4.05648067 0.51587832 -1.45837951 -0.11753190 Ni 14.12735860 4.09675928 6.07717700 -0.90519261 -0.35581232 -0.23326196 Ni 12.14469359 6.00443008 6.05066581 0.47311036 0.08372197 -0.08687500 Zr -0.02865513 8.05769464 4.07111981 -0.63905088 -0.00923519 -0.24076669 Zr 2.04423267 10.11660443 4.08753171 1.55555987 -0.30644160 -0.06658352 Ni 1.98955255 8.06213006 6.09220835 0.35267573 -0.02454932 -0.07182127 Zr 0.02061469 10.08264724 6.03363301 -0.88680669 -0.82516257 2.66757926 Ni 4.06146902 8.10675765 4.05329621 0.15892401 -0.20265325 0.39255065 Ni 6.09721228 10.11626261 4.06218845 -0.27270343 -0.40797454 -0.02663181 Zr 6.10451910 8.09970497 6.06481184 -1.98673633 -0.01322078 -1.80227382 Ni 4.08513766 10.12074657 6.08024929 -0.43870114 -0.00323972 -0.14204932 Ni 8.12690637 8.05982305 3.97634133 -0.26218017 0.36014914 -0.04813573 Ni 10.10859543 10.11507267 4.08581963 -0.14025174 -0.26827082 -0.08578955 Zr 10.14333959 8.10592211 6.07542187 0.81082222 2.85990586 0.16210213 Ni 8.05559310 10.17242846 6.10417592 0.51595542 -0.51684958 -0.45235176 Zr 12.10125651 8.08397705 3.97375883 0.53285373 1.81624596 0.49897121 Ni 14.18067452 10.10529849 4.09696967 -0.83534217 0.37953297 0.06160334 Zr 14.14310306 8.10661819 6.11025396 -0.24509426 0.63489391 -0.03291605 Ni 12.20430786 10.16964553 6.13594371 -0.10247589 0.06793535 -0.23149553 Zr -0.03352207 12.10417183 4.05979023 -1.45999271 0.33873088 -1.24400053 Zr 2.06163192 14.14476029 4.07672909 1.31775509 0.63127027 -0.65653890 Zr 2.02824166 12.17238571 6.05889848 1.60885682 0.73986728 2.89018123 Ni -0.01504734 14.19099179 6.06282608 0.69251370 -0.81330950 0.12695162 Ni 4.03699531 12.11886957 4.11243325 0.24715883 0.21976041 -0.27291086 Ni 6.06608770 14.12662412 4.05548902 -0.30316691 -0.45068651 0.22590262 Zr 6.07944886 12.07978177 6.10672596 -2.04923801 0.48207359 -2.14866780 Ni 4.04879219 14.16636249 6.07900215 0.22853263 -0.72700663 0.07271247 Zr 8.13424622 12.13975269 4.07463921 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10.07782584 -0.08698488 0.96757911 -0.02226497 Ni 4.05483125 2.09326842 10.11218883 0.04461769 -0.19040984 0.05110981 Ni 8.09557030 0.01924226 8.09082290 -0.09207895 0.98917128 0.20420524 Ni 10.15251092 2.01800901 8.09990156 -0.40872839 -0.74098521 -0.29198546 Zr 10.13503098 -0.01442002 10.10841746 -0.17358655 -0.82344556 -1.68708923 Ni 8.05188201 2.00237317 10.11044845 -0.05581335 -0.26255531 0.11522362 Ni 12.14185564 -0.02030411 8.13302305 0.32750561 0.98572438 -0.42486758 Ni 14.16317773 2.00976208 8.03515508 -0.92030107 -0.23731418 -0.11596419 Ni 14.14854122 0.01444397 10.10342661 -0.83130082 0.80763619 -0.09497449 Zr 12.10995510 2.00114600 10.11107277 1.60568337 -2.77203171 -1.67926658 Ni -0.03490660 4.10726247 8.10079704 0.74008008 -0.11535490 0.24078509 Zr 2.05704325 6.11182546 8.10863765 -0.19809483 -0.22201275 -0.23180314 Ni 1.97222244 4.05130494 10.11284753 0.01364839 -0.05785686 -0.22533241 Ni -0.00289144 6.10745939 10.09078536 0.56397967 -0.37514402 -0.21617845 Ni 4.03101135 4.04153496 8.05757769 0.40279214 -0.10166713 0.13310497 Ni 6.09243056 6.07337561 8.06987014 -0.85639303 -0.43403819 -0.31872643 Ni 6.02584070 4.03072499 10.13243416 0.24384356 -0.52222289 0.01944331 Zr 4.07996562 6.08967038 10.07827439 0.91690952 -2.15949460 -2.40506755 Zr 8.10237759 4.04808912 8.12711331 -1.94857101 -2.23700659 -0.10220244 Zr 10.10276486 6.09696184 8.10423111 3.23763819 1.52500926 0.81225545 Zr 10.15345626 4.02081680 10.11301242 -1.21787008 -0.69926294 -0.01622370 Zr 8.06410010 6.04755056 10.05214498 -1.01117212 -0.98716988 0.67488277 Zr 12.15163685 4.03225371 8.11741700 0.80981584 -0.88252193 -2.13734839 Zr 14.13835827 6.00259472 8.08203933 0.02513852 0.57504946 -0.99070988 Zr 14.18898912 4.06640345 10.06141186 1.66472928 0.48886504 0.47149243 Ni 12.18293066 6.06393037 10.16575816 0.28005806 0.62636780 -0.03195597 Ni 0.00836371 8.14234018 8.07404247 0.78695101 0.04136964 0.12969052 Ni 1.99151198 10.17268939 8.08742877 -0.18857453 -0.47645153 -0.29281598 Zr 2.01957265 8.10260342 10.14830901 -2.12888455 0.78491232 -3.04562574 Ni -0.03003068 10.12396013 10.13429388 0.46672517 0.10283030 -0.37030796 Ni 4.00719446 8.07662901 8.12450937 -0.02286787 0.20638824 -1.05701263 Zr 6.10661534 10.14973102 8.11664885 -2.07657466 -0.56989964 -1.91456888 Zr 6.03236590 8.09193067 10.15229619 -0.73010730 -1.06173132 -2.02040181 Zr 4.01701803 10.08485760 10.08634165 -0.84045168 0.46455379 -3.03420782 Zr 8.08281088 8.05255627 8.13234704 0.97496172 1.33353694 -0.46521293 Ni 10.09069147 10.19023551 8.05634848 0.51465298 -0.41386622 -0.12983512 Ni 10.11663934 8.05800469 10.07615082 0.63393347 0.32387236 0.39406071 Zr 8.06001255 10.05651451 10.15561280 3.23748367 0.30321458 0.70366788 Ni 12.11613588 8.07720002 8.15555979 0.03525883 0.02484337 -0.33542629 Zr 14.11646103 10.12540216 8.08325631 0.08642387 0.95917477 -1.46279055 Zr 14.13552005 8.08595995 10.08196066 0.06784581 -1.00131317 1.64891878 Zr 12.13381940 10.07864686 10.14640491 -1.81164350 -1.65095558 -0.14133590 Ni -0.03088094 12.16735866 8.03659653 0.87177298 0.09911620 0.03873550 Ni 2.02771241 14.19253578 8.13836244 -0.02877118 -0.69918922 -0.33114288 Zr 2.01975642 12.10379748 10.11280910 -1.07683705 -0.41709138 -3.58919670 Zr 0.03916979 14.16947131 10.07860336 -0.62149459 0.66104833 -1.56830730 Ni 4.03387779 12.14049660 8.09144010 -0.42845129 0.21623256 -0.37345320 Zr 6.04329630 14.16634904 8.09844332 -0.08570409 1.84134196 -0.69647602 Zr 6.07894046 12.13184139 10.07699417 0.80489344 1.25042030 0.45723587 Zr 4.03755509 14.15026519 10.13952308 -0.89370839 1.78176508 -1.91368666 Zr 8.08136654 12.17740248 8.06433847 2.27112548 1.01602196 -0.46918375 Ni 10.09272774 14.19888217 8.08027665 -0.01316005 -0.71455584 0.00074745 Zr 10.07665685 12.11341422 10.14939230 -0.62144059 0.09803328 -1.13193178 Ni 8.09393025 14.14303270 10.13933900 0.07980547 -0.44453244 0.05143374 Ni 12.18811393 12.12575903 8.11817530 -0.01304049 0.32341306 -0.36262454 Ni 14.16274814 14.19254886 8.03099009 -0.95449742 -1.11816118 -0.16394227 Zr 14.12625359 12.16690228 10.18448668 1.83383363 0.64869007 -0.44440084 Zr 12.13491506 14.17499364 10.07718664 0.69905298 1.49813456 -1.75794826 Zr -0.01107469 0.00624927 12.11402679 -0.46628319 -0.46383188 0.09558258 Ni 2.00265567 2.07076110 12.10802821 0.17404984 -0.36753661 0.32058966 Zr 2.04038178 -0.02815251 14.17302605 1.45728465 0.49719842 -0.63572910 Zr 0.00099351 2.01729530 14.12498109 0.31818548 0.65054288 0.52506483 Ni 4.04265556 0.02934897 12.13941629 0.16431001 1.17361366 0.08399492 Ni 6.06360256 2.08257797 12.14260407 0.28392015 -0.45250024 -0.11907780 Ni 6.06872141 -0.01616749 14.17727027 0.01706391 1.16917903 -0.95604662 Ni 4.02746137 2.03118478 14.13386357 -0.08690911 -0.34820616 -0.90993955 Zr 8.08094023 -0.01835995 12.15449081 -2.67924974 0.34395583 -0.00276994 Zr 10.10483255 2.00682168 12.10159669 -1.08809928 0.72556931 2.24534614 Zr 10.09046107 -0.03123181 14.14670514 0.77986922 0.37612217 0.57467387 Ni 8.03242608 2.08824259 14.15588398 0.05609320 -0.23977941 -0.87980925 Ni 12.13237176 -0.01403647 12.20936318 0.23155082 0.69793702 0.17252101 Zr 14.14924158 1.98300321 12.13073661 0.62396173 -1.65119127 1.64774918 Ni 14.17258407 -0.00469477 14.13850086 -0.98872104 0.88591628 -0.82958380 Ni 12.16839174 2.02892120 14.14548496 0.08224296 -0.22426466 -0.76742513 Zr -0.00296955 4.02171748 12.10560519 0.03520418 0.99386548 -0.00558159 Zr 2.04078061 6.05594508 12.15321897 -1.12056460 -0.74745677 1.75037874 Ni 1.97842992 4.08487482 14.14824791 0.05170260 -0.19469753 -0.59694941 Ni 0.00212972 6.08373675 14.17884966 0.73997059 -0.01804346 -0.68260570 Zr 4.08637203 4.03307058 12.14221739 -1.27055181 -2.51782834 -0.02524619 Zr 6.08232505 6.04493507 12.15967478 -0.06407021 -0.74528908 0.79536686 Zr 6.13026067 4.04381070 14.13778142 -0.13940198 -1.85810455 0.92628706 Ni 4.02780700 6.07658818 14.14713942 0.07427402 0.11466513 -0.31266590 Ni 8.11227426 4.01912509 12.11528793 -0.29488761 -0.61819949 0.22724152 Zr 10.11669052 6.08035719 12.10392525 0.68528656 0.89041986 0.21054096 Ni 10.13656770 4.02752776 14.18770633 -0.40155492 -0.18789607 -0.66723695 Zr 8.05677872 6.04530577 14.15333731 1.22149521 0.03267598 1.81622362 Zr 12.13008469 4.07407058 12.15249379 1.34951807 0.52336331 1.68523199 Ni 14.14242587 6.10881317 12.14153996 -0.69745018 0.10173335 0.16669820 Ni 14.20158996 3.98897785 14.13269596 -0.75333406 0.01991634 -0.66772384 Zr 12.10421691 6.04292930 14.14090737 0.95810697 1.08623716 0.88044955 Zr -0.03778183 8.09442719 12.10166660 -1.50728169 -0.64812906 0.44215509 Zr 2.05517308 10.07907224 12.10952876 -1.55206246 0.38206467 1.62522630 Ni 2.05062244 8.16540887 14.19921394 -0.42397641 -0.43731818 -0.56315720 Zr -0.00732669 10.16706990 14.17655025 0.37422251 0.06087124 1.16192888 Zr 4.06604510 8.13150811 12.14147113 -0.15855750 -1.47358997 3.15006382 Zr 6.04065890 10.10024102 12.12066170 1.94965828 0.53995306 2.36334200 Ni 6.09337004 8.14796921 14.18330726 -0.01563128 -0.13193964 -0.42343826 Zr 4.03375449 10.10229574 14.16654285 -0.81442227 -0.64138499 2.63501202 Zr 8.10332432 8.05822313 12.16554606 1.83101897 1.93254905 1.77664026 Ni 10.17561861 10.10702009 12.12710957 -0.21159327 -0.38290636 0.53736880 Ni 10.08612586 8.09199698 14.19020139 0.20016036 0.27468051 -0.67149327 Ni 8.07188635 10.06391716 14.19470457 0.04987726 0.11462863 -0.71809139 Ni 12.14160683 8.04966278 12.16322676 0.14639968 0.11192208 0.05858932 Ni 14.16604961 10.13484919 12.09431697 -0.53482309 -0.26154049 0.38814766 Ni 14.15820053 8.09996790 14.18249429 -0.89216869 -0.02868073 -1.00166475 Zr 12.17159062 10.09068351 14.16150453 0.09612068 -2.47306416 -0.24629565 Zr 0.02863121 12.15521479 12.11034653 -1.46390426 0.00696129 1.17777051 Zr 2.05188952 14.20183108 12.13629481 -0.31039442 1.50103561 2.52070484 Ni 2.08556542 12.17547137 14.17665871 -0.21021539 0.19940173 -0.62175521 Ni -0.00236033 14.16024632 14.18630913 0.71720597 -0.90443896 -0.85847699 Zr 4.05643705 12.16487523 12.11668171 -0.95099822 0.78188749 2.09362896 Zr 6.03871911 14.19348688 12.10210157 1.90587863 1.42722272 1.01232810 Zr 6.04362852 12.13603056 14.18665035 1.77702613 0.87784682 1.27607195 Ni 3.99343108 14.14400454 14.17035317 0.14102748 -0.65925590 -0.61915015 Ni 8.15144698 12.12769696 12.11243409 -0.16887938 0.33070681 0.60892506 Zr 10.11298618 14.13998337 12.12753264 -1.73505857 1.85214861 0.88050700 Zr 10.15166875 12.12000362 14.12538958 -1.80765782 -0.07070820 0.89479673 Ni 8.08466818 14.15842521 14.13013323 0.01309364 -0.65493165 -0.62355146 Zr 12.16162577 12.15835606 12.14259360 0.91688397 0.05838390 1.02855017 Ni 14.18921611 14.16479958 12.08955647 -0.74311826 -0.54849248 0.35674972 Zr 14.17406282 12.15348105 14.18465255 0.47478512 0.59304501 -0.43929865 Ni 12.20474104 14.13412934 14.13298532 0.01387426 -0.59168535 -0.68244349