4000 Lattice="35.28894598541277 0.0 0.0 0.0 35.28894598541277 0.0 0.0 0.0 35.28894598541277" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11993.70782205804 stress="-124.50726504280271 -45.67034651703428 -3.46585847332706 -45.67034651703428 -66.9324089488887 5.66213100751105 -3.46585847332706 5.66213100751105 -91.41114664539866" pbc="F F F" H 0.01773024 -0.02285195 0.00039165 0.43798473 0.36998891 0.36827231 Ni 1.77990287 1.76532161 -0.00013957 0.54583393 -0.25390429 0.71765053 Ni 1.75850038 0.00788597 1.75544259 0.56749973 0.96737930 0.28247313 Al -0.01739695 1.73201433 1.74616180 0.30187572 -1.71411685 0.20549877 Al 3.52648836 -0.01786784 -0.03153994 -0.35115839 0.35445052 1.03553049 Al 5.29790432 1.78997098 0.00414558 -0.06467837 0.70755876 0.84777365 Ni 5.30811181 0.02532253 1.78145138 -0.29692027 1.12782406 -0.24122802 H 3.52054698 1.80279165 1.74869798 -0.06311988 -0.20665233 -0.02151307 Al 7.05692221 -0.00655794 -0.00953624 0.44983063 0.53510825 0.66932361 Ni 8.84322278 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33.48962517 1.77956333 0.03207433 0.61574365 -0.55538739 -0.33262127 Al 33.53017050 -0.02484997 1.76113563 -0.65257589 0.15327210 0.98802636 Ni 31.75688816 1.78215350 1.77056390 -0.33597120 -0.82184464 0.52521333 Al 0.03320833 3.51037934 0.01619133 -0.33288315 0.16900937 -1.64301419 Ni 1.80460751 5.32762668 0.01486181 0.19691002 -0.39677259 -0.21827120 Al 1.79691546 3.55097367 1.76330892 2.69041827 -1.48297102 -0.22898351 Al 0.02803638 5.27770728 1.77766824 -2.00752471 0.89785198 -0.86757038 H 3.56061425 3.47750254 0.00822395 -0.09942754 0.00159269 -0.18137232 Al 5.27785215 5.26407063 0.00420274 -0.14700762 0.02404348 0.71640771 H 5.25876467 3.56707088 1.80936931 0.09296932 0.18333513 -0.00934311 Ni 3.53776444 5.29893442 1.82393620 0.93222576 0.02945862 0.12274585 Ni 6.99701818 3.56182951 0.01359883 0.50859001 -0.56271930 0.80268750 Ni 8.81607838 5.28108998 0.00413229 -0.45328781 -0.28921159 0.31400167 H 8.81261346 3.47461199 1.77724443 -0.11184526 -0.02367012 -0.13011906 Ni 7.07751569 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22.95556608 5.27570357 -0.02135986 -1.07658327 -0.48387560 -1.53905345 Al 22.90778782 3.52694721 1.80182408 -0.28522468 0.59962875 -0.35191712 Ni 21.18423899 5.31744083 1.75447725 -0.68835855 0.17135062 0.63211671 Ni 24.69765339 3.49376824 -0.01600322 0.04074591 -0.65352065 0.73532602 Al 26.45969452 5.29631759 0.00438014 -1.22643493 -0.30187844 -0.93279195 Ni 26.50027506 3.52764975 1.71151968 -0.94575400 -0.37578549 0.23917561 Ni 24.67754996 5.31765095 1.81537862 0.66368784 -0.45281127 0.04578293 Al 28.22463282 3.51655545 -0.02584819 0.02097334 -1.09437500 -2.30741382 Ni 29.97557944 5.30971009 -0.03004587 0.32463239 -0.09927023 0.04670884 Al 29.98163637 3.52219389 1.75791564 2.19186153 0.06943472 0.67289883 Al 28.21639004 5.32126788 1.78137242 -0.53932288 0.50506824 1.20657396 Al 31.78937792 3.51151180 0.01070891 -0.51547237 0.73653195 -1.10654585 H 33.52022834 5.25176034 0.02230718 -0.10456867 -0.13420550 0.13579803 Ni 33.49926974 3.50581166 1.73683061 -0.01257657 0.26973228 0.80230242 Ni 31.79404315 5.30511834 1.76094829 0.09500916 0.05703646 0.53090061 Ni -0.01124232 7.05990910 -0.02590875 0.89004916 -0.40857536 0.40448656 H 1.78084571 8.79055159 0.00666894 0.01003182 -0.07565830 -0.09650068 Al 1.78667261 7.03312653 1.73071001 1.33954652 0.29021941 -0.29391057 Al -0.00787812 8.79304900 1.76053377 -0.94138548 1.48440657 -1.00808254 Ni 3.53684650 7.03451324 -0.02083306 -0.30373057 0.00528968 0.45311037 H 5.25558627 8.84986489 -0.01785945 -0.21854970 -0.02729491 -0.02221696 H 5.29708675 7.07265469 1.81610955 0.03489909 -0.15561799 -0.09734629 Al 3.51873776 8.84640388 1.76508757 0.27484366 -2.69088879 0.03461259 H 7.10642163 7.04747624 -0.02118257 0.10431191 -0.16368496 -0.04809621 Al 8.86597516 8.84529108 0.05653503 -0.00101109 0.53198084 -0.29413654 Al 8.79406298 7.07346367 1.73219637 -1.18820113 0.29870422 1.08189412 H 7.05693424 8.86520567 1.76320308 0.09887839 0.11853974 -0.02609453 Ni 10.60067345 7.02059307 0.03043437 -0.00725822 0.32082628 -0.20401466 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0.58867872 -0.14108627 0.29069547 Ni 5.32457750 15.86249407 3.52249338 -0.22566324 0.50771175 0.48472949 H 5.31557447 14.10070311 5.28048531 0.10592095 -0.04502980 -0.09364422 H 3.51945724 15.88972115 5.28293280 0.01960716 0.13711167 -0.00905437 Ni 7.01040500 14.10624578 3.54345469 -0.33302432 -0.13730437 0.26138370 H 8.80961406 15.87984843 3.53945246 0.03229449 -0.06759482 0.10123403 Ni 8.79205477 14.12802249 5.31529127 -0.12173504 0.39349959 0.19277319 H 7.10178204 15.88969810 5.26906315 -0.01374046 -0.06057293 -0.08305984 Al 10.55745187 14.14940156 3.50286618 -0.96375023 0.76233392 -0.19565630 H 12.33625587 15.91251610 3.52525640 -0.07139486 -0.01122887 0.06094988 Al 12.34094863 14.10563560 5.31431424 -0.15405513 -0.16386957 -0.53764320 Ni 10.62041024 15.84858132 5.27339237 -0.43240987 1.18936175 -0.15524466 Al 14.08874917 14.16659569 3.55789378 0.37527486 -0.52930209 -1.27097938 Al 15.87722033 15.88178110 3.50687781 -0.13432417 0.47984644 0.67890485 H 15.90762614 14.11675863 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7.12338681 12.34804939 0.00901955 0.07879885 -0.07033691 Al 28.22980121 8.83290818 12.35085020 0.97559036 -0.64339877 -1.00375156 Al 31.77084856 7.03806805 10.58423325 0.14669097 -1.53112989 -0.03983078 Al 33.50392958 8.80140790 10.65098984 2.57633985 0.24312528 -0.49361446 H 33.52553668 7.02025366 12.37413457 0.11371284 -0.12161589 0.07997810 Al 31.77243579 8.86770505 12.33937851 -0.86634913 -0.51041908 -0.70169520 H -0.02992449 10.58094206 10.54082963 -0.09143230 -0.03191510 0.02545011 Al 1.75757977 12.34383130 10.55652791 1.15547904 -1.39564503 -1.36342768 Al 1.78562685 10.61742411 12.37822246 0.63332346 -2.49888950 -2.39520251 Al -0.03282050 12.36646899 12.35963623 -2.54371559 0.68046306 -0.74235214 H 3.53769103 10.58829670 10.56197661 -0.02942758 -0.15042960 0.02836508 H 5.33635630 12.35224651 10.54622407 0.12562407 -0.00069381 -0.00790125 H 5.30767642 10.55129218 12.36684863 0.15323191 -0.16240981 -0.13686970 Al 3.55409498 12.38033768 12.35657790 2.23421635 -1.45678017 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30.01543560 0.54305469 -0.46344518 -0.78626936 H 31.72400103 3.52306502 28.19839988 -0.05604439 0.09293425 0.16271343 H 33.51524385 5.29627497 28.21389655 -0.11507933 -0.16627949 0.13965333 Ni 33.49449427 3.48008601 29.98100806 -0.55038337 -0.18889069 -0.05225284 Al 31.81247145 5.26186167 30.00902686 -0.22690418 -0.02553037 -0.72155431 Ni 0.01287505 7.02695007 28.21008362 0.42505411 -0.49641880 0.05244936 Al 1.72999970 8.79945393 28.19766204 0.59978576 -0.59231307 1.04728974 Ni 1.74391801 7.11064568 30.01349406 -0.30054256 -0.27426819 -0.64438164 H -0.00704493 8.82885952 29.98188849 0.05132641 -0.00889117 0.03498235 H 3.57240583 7.06270520 28.20954104 0.03222065 -0.18168028 0.04318518 H 5.29521475 8.86643843 28.21963464 0.26789702 0.03863871 0.06688382 Ni 5.31750031 7.05051423 30.03153568 0.82159470 0.63198155 -0.37661943 H 3.53131588 8.82882659 30.01850012 -0.13537598 -0.04646978 0.04563746 H 7.06940252 7.08385654 28.20265485 0.01628021 0.09777408 0.12945684 Ni 8.78846792 8.81381735 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31.75172674 -0.04054213 -0.07709980 -0.00908977 H 29.94840022 3.47290115 33.51690131 -0.04946628 -0.02819919 0.05092754 Al 28.25965523 5.32509161 33.52722542 0.66618291 -1.12586711 -0.21515469 Ni 31.78059810 3.54506868 31.79396689 -0.41512193 0.63813624 0.21143307 H 33.53627453 5.35232803 31.74177607 0.05052806 -0.01948626 0.11072605 Ni 33.54554294 3.53463434 33.50698828 -0.61364861 0.12041238 -0.74306057 H 31.79277587 5.27946728 33.49794735 0.17652116 0.01172759 0.03997144 H 0.02266300 7.02888949 31.77746162 -0.08128666 -0.08930588 -0.10308795 Al 1.79933917 8.83363767 31.74227680 -0.92554160 0.26797893 -0.93668442 H 1.77467568 7.06875853 33.53037030 -0.04692776 0.02800233 0.12913166 Al 0.01155793 8.80512036 33.48131587 0.28542490 0.21008413 -0.18312669 Al 3.55807804 7.02582639 31.74236610 -0.05324794 1.59621117 0.52083438 H 5.29452239 8.83854305 31.76022652 0.00259748 0.02980726 0.05937261 Ni 5.29223023 7.05667827 33.50602363 0.65101730 0.21215261 -0.57497421 Al 3.54325746 8.83320982 33.54602766 0.64144788 0.40366484 1.15443100 H 7.05222331 7.00177441 31.78541858 -0.09285621 0.05643965 0.00683935 Ni 8.79931867 8.77890660 31.76055556 -0.60757841 0.14806217 -0.29492706 Al 8.82316101 7.02463166 33.52177526 -1.95018248 0.87769742 0.13397322 H 7.04154565 8.83804919 33.50782982 -0.04976433 0.05358617 0.05077452 Al 10.60720388 7.08810540 31.73551206 -1.28665771 0.76190898 -2.53069272 Ni 12.32630266 8.87138907 31.78768533 0.95589681 -0.03479355 -0.64868585 Al 12.32531203 7.04436612 33.50542130 1.42423756 0.72489045 1.61381877 Al 10.60217950 8.83495754 33.53624760 -0.43623465 1.37208063 1.61982906 H 14.10449063 7.02481411 31.81885334 0.06401560 -0.11985310 -0.03549492 H 15.85241878 8.87005589 31.74958327 0.01817191 -0.03874645 0.18107346 Al 15.90043888 7.07517847 33.53892245 0.74130006 -0.85460870 -0.62380260 Al 14.13879146 8.78895942 33.49191207 -0.52428341 0.77200801 -0.52411671 H 17.66304201 7.07583122 31.80554411 0.07592868 -0.09456742 0.00135913 Al 19.38327696 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