4000 Lattice="35.33891603689755 0.0 0.0 0.0 35.33891603689755 0.0 0.0 0.0 35.33891603689755" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11974.184360977311 stress="-91.08386885252173 25.179593620227365 -23.713634205154076 25.179593620227365 -74.19142229352855 12.376997730228595 -23.713634205154076 12.376997730228595 -111.7992926542359" pbc="F F F" Ni 0.02489233 -0.03157722 0.01320524 0.60336942 0.63175707 0.60955484 Al 1.77662178 1.71664787 -0.00849663 -0.19450970 0.26422953 -1.30932323 H 1.75904813 -0.01401021 1.73382852 -0.02380314 -0.11483618 -0.12075988 Al 0.01561730 1.74887624 1.74958902 -0.98304198 -0.05804061 -0.91625571 Ni 3.52824956 0.01535162 -0.03459051 -0.17732416 0.25945169 0.59123595 Al 5.31946721 1.77113617 -0.02241897 0.39462108 0.00373588 -0.80054953 Al 5.32781204 0.02705067 1.75103376 0.71203196 -0.71259953 0.83822455 Al 3.52649554 1.80085978 1.74245612 0.19466994 0.32993410 1.00372317 H 7.07485778 0.00281056 -0.01112584 0.08189117 0.05483242 0.07612038 Ni 8.86874699 1.78269805 -0.02103302 0.05472462 -0.04441085 0.91448582 Ni 8.82747438 -0.01443310 1.77049774 -0.11507628 0.81922530 -0.01009623 H 7.06241670 1.78463976 1.75596153 0.20931812 -0.12369419 -0.00285875 Ni 10.63333797 -0.02839113 0.01165645 -0.40734895 0.32119886 0.15994724 Al 12.39609089 1.74551836 -0.01766687 -0.70020590 1.69872906 -2.54736741 Al 12.36870557 0.00908999 1.73623484 -1.46553294 -3.14217445 0.38157077 Al 10.63296163 1.78575298 1.70811790 -2.61365113 0.51579204 0.44257161 Al 14.13988593 0.00213144 0.00911839 0.74773004 -0.77024857 -1.11305026 H 15.88901384 1.75942179 -0.02143649 0.05839453 0.01294615 -0.02667046 Al 15.91935070 0.00604457 1.79260295 1.41487072 -1.69540065 -1.19759244 Al 14.11852146 1.76158570 1.74898752 1.46545249 1.71411092 -2.03548347 H 17.67008348 -0.02558422 -0.03249024 -0.44127628 0.39678411 0.64754799 H 19.39482565 1.74995845 -0.02508437 -0.00678645 0.29008539 0.07106146 H 19.43581183 0.02406663 1.73454681 0.19486847 0.24639508 0.29819347 Al 17.68262746 1.80622753 1.79387953 1.66614107 0.02234580 -1.76452507 H 21.21436508 -0.02991428 -0.02609807 0.41270738 0.67954746 0.36910193 Ni 22.98132606 1.80238271 0.00309858 0.15935439 -0.00775208 0.82822111 H 23.01715382 0.02282301 1.77131114 0.10793629 0.02463233 -0.22352246 Ni 21.18685928 1.80568189 1.77979156 -0.08582312 0.28804494 -0.03390632 Ni 24.68113159 -0.01980053 0.02208172 -0.04322255 1.16256681 0.77669213 Ni 26.53561118 1.80262449 -0.00028159 -0.28494829 0.19324870 1.09737230 Al 26.48952454 -0.02068629 1.75022391 -0.33874363 0.01113159 -1.22032011 Ni 24.75643963 1.74442622 1.73175764 -0.36951807 0.35223821 -0.45287934 H 28.28077047 -0.01789348 0.01969850 0.06615152 0.08700979 0.07908695 Ni 30.05681052 1.77005073 0.02003835 -0.92842387 -0.38393734 0.68500325 Ni 30.04971928 -0.02487271 1.75054113 -0.39698687 0.93843911 -0.33030112 H 28.26732025 1.77522881 1.78084947 0.09236723 0.09641585 -0.05730451 Ni 31.82233079 0.02350565 0.01704610 -0.38362318 0.82117045 0.93227301 H 33.54753897 1.78043520 0.02044536 -0.19641129 -0.01786076 0.03679593 H 33.54111596 0.04308441 1.77215479 -0.40368542 0.03396110 -0.08839146 Al 31.79257523 1.80022780 1.74807832 0.00228786 -1.46911804 0.44023711 Ni -0.00152513 3.48554307 0.01378744 0.95556204 -0.06975773 0.67771214 Al 1.75129922 5.27915574 -0.02393227 -1.01844702 -1.45769430 -0.53057845 H 1.76325206 3.56402725 1.73964941 0.01049252 0.02696140 -0.03433956 H 0.00972945 5.29850953 1.79863244 0.02056748 -0.03120075 0.04967417 Ni 3.58867413 3.51019218 0.01545011 -0.35016116 0.38216535 0.23583589 Ni 5.27364539 5.28450257 -0.02410353 0.12249521 0.01164653 0.47743668 H 5.30538250 3.55559764 1.80795257 -0.11174897 0.14177112 -0.13364790 Al 3.55995671 5.30701249 1.78654297 1.31318352 -1.53183464 1.26583725 Al 7.04789251 3.55337657 0.00127242 -0.04772507 -0.46767377 0.28427370 Al 8.82648950 5.33229079 -0.02334823 0.73847201 -0.49537875 -0.84600750 Ni 8.85488193 3.56249153 1.77964918 -0.41425164 -1.02540877 -0.03713696 Ni 7.05109774 5.32022465 1.78765689 -0.42021116 -0.19789140 0.46953031 H 10.59053800 3.52862223 0.03335354 -0.03687831 -0.00165848 -0.05315537 Ni 12.35133532 5.30463933 0.05419928 -0.22432771 -0.47445995 -0.12403180 Ni 12.38237265 3.50736015 1.78499157 -0.49450094 1.03349213 -0.74662914 Al 10.56901952 5.28180380 1.78374370 0.76051033 -0.73349226 -0.65310672 H 14.18012294 3.54374756 0.02625613 -0.04806937 0.03087994 -0.01414087 H 15.92468676 5.30341472 -0.01546402 -0.05042738 -0.14422477 0.03377960 Ni 15.88951791 3.52471228 1.74713999 0.32063727 0.36215153 -0.57375748 Al 14.14100697 5.25820141 1.75188925 1.30400094 -0.15141925 -1.14801971 Ni 17.71085822 3.58010315 -0.02058549 0.25869538 -0.06757028 1.53620763 H 19.39938265 5.26381633 0.00903251 0.03821389 -0.22106895 -0.09494746 H 19.45323205 3.54155872 1.77190531 -0.01531708 -0.17279431 -0.05357853 H 17.67361469 5.30779218 1.70958700 0.07916835 -0.11858183 -0.00544555 Ni 21.14918190 3.57343347 0.00005754 -0.08906928 -0.17961924 1.15341940 Al 22.96344194 5.29765756 -0.01887283 -0.01587705 -1.19777600 -1.02386376 Ni 22.95276638 3.55755710 1.76654586 -0.55867555 -0.48652153 0.10468586 H 21.17960648 5.34001766 1.82990338 -0.01149768 0.14672639 0.12490214 H 24.74127324 3.59159049 -0.02754411 -0.06153675 -0.07818303 -0.12984508 Al 26.50532531 5.29336881 -0.01138353 0.46058793 -0.21097838 0.61637820 H 26.46541046 3.59105995 1.70601990 0.08045134 -0.13503649 -0.14444432 Al 24.70325088 5.28994377 1.74262913 0.77555693 -0.83147657 -0.95926147 Ni 28.24114482 3.50936021 0.01476942 0.02464261 -0.17141682 1.39361475 H 30.02041437 5.28495759 -0.02603056 0.02003285 -0.17463618 -0.06332217 Ni 30.04642396 3.58480157 1.73538768 -1.30654182 -0.54427130 0.25562471 H 28.26419979 5.28782064 1.72667118 0.05241600 -0.16932895 0.01927193 Al 31.78017364 3.52233648 0.01731860 -0.46486459 0.02746755 -2.57778464 Ni 33.58399016 5.26718630 -0.01485659 -0.20207536 0.37855212 0.39383281 Al 33.54982376 3.53033230 1.76058411 1.81518819 0.03743227 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0.29807326 0.99863896 0.07648719 Al 12.38532348 24.75680538 8.84523366 1.63349931 -0.70262096 -1.75149369 Ni 10.62323412 26.50529469 8.84369354 -0.54829932 0.91661296 -0.67022207 Ni 14.13881114 24.75634316 7.05642677 0.44535985 -0.36271770 0.12341449 Ni 15.87895123 26.48805354 7.09623210 -0.94275138 0.10407326 -0.12312748 Al 15.87845157 24.75399686 8.86600661 -2.52732129 0.00695064 -1.95414980 H 14.16998755 26.52530016 8.78114473 0.03084422 -0.19732572 -0.14427697 Ni 17.66086259 24.71881677 7.08282290 -0.53760620 -0.76338643 -0.92932054 Al 19.46215709 26.49316617 7.06492140 -0.74569306 1.67168656 1.97986242 Ni 19.40611337 24.73813037 8.83093307 0.61174779 -0.20078690 0.19116520 Al 17.61503805 26.49019033 8.79976736 0.49455612 2.51546151 0.69838384 Al 21.18391198 24.77236594 7.04729271 1.22824148 -1.65708115 1.85582426 H 22.91139464 26.47558551 7.05557781 0.03438235 0.03170277 0.01613636 H 23.03087380 24.73051232 8.84338191 0.11613910 -0.13871028 0.04475620 H 21.21334221 26.47856638 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26.53403355 30.04805954 7.06933900 -0.76676326 -0.60382765 0.16559903 Ni 26.45889269 28.29550230 8.86319541 -0.08037413 -0.50711656 -0.68374484 Al 24.71898705 30.09174163 8.86813193 -0.77653254 0.14531057 -1.26817828 Al 28.25254330 28.25248525 7.07991151 0.36585463 -0.48911586 -0.46992459 Ni 30.04101299 30.04475567 7.08439215 0.26370469 0.07799162 0.37123366 Ni 30.06392516 28.28387139 8.84034840 -0.07311712 0.11051912 -0.13249828 Al 28.24618241 30.06571523 8.86424477 1.51386378 -0.84063150 -0.40421584 Al 31.79121080 28.29706381 7.03467175 -0.65063182 0.65991048 1.81191159 Ni 33.55306535 30.01733771 7.06601014 -0.70994835 0.57653982 0.62701751 H 33.57876564 28.26569420 8.84670340 0.10630215 -0.09646467 0.07241833 H 31.77598438 30.02591555 8.82901005 -0.14550483 0.11256212 0.02372352 H 0.01332005 31.79697899 7.09749363 0.03028986 0.19976169 0.01458412 Ni 1.75158985 33.56943758 7.07171812 -0.55550009 -0.34148363 0.16961299 Ni 1.73458537 31.77010043 8.86724122 -0.80770195 0.16698265 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0.02601392 0.04865579 0.01147557 Al 14.12113711 1.77054372 33.53979318 -0.49238417 0.44772889 -0.39084194 Al 17.67605548 -0.02236261 31.74607995 -0.56701634 -2.31456318 -0.14449190 Al 19.42094054 1.77739511 31.77980269 2.63166348 -0.11022164 -0.78349806 Al 19.44540059 -0.00038347 33.58250508 1.21825498 -0.00378867 0.24923269 Al 17.61435808 1.77830391 33.58637612 -0.02728659 0.06882079 2.70099781 H 21.22079127 -0.03131966 31.79419812 0.05061163 -0.13726192 0.12211618 H 22.99153552 1.76114085 31.81267788 0.11458046 -0.08894217 0.26371854 Ni 22.91454156 -0.01590303 33.54667411 -0.15270013 1.12757507 -0.81541366 Ni 21.19463259 1.82025557 33.57730967 0.52394578 -0.17662977 -0.48405457 Al 24.72533455 -0.02687964 31.83695904 0.57730368 0.61882742 0.38935078 Ni 26.51470600 1.78025164 31.74975844 -0.36993826 0.08877130 0.25019980 H 26.45685183 -0.00746630 33.58116379 0.05186166 0.12752850 -0.09578034 Ni 24.70016346 1.76332086 33.58727991 -0.06136738 0.05709358 -1.20646637 Ni 28.22422679 0.01342385 31.84934158 0.00092778 0.73955640 0.05721246 Ni 30.04964875 1.73444236 31.79525397 0.29472726 0.27186863 0.14466813 H 30.04567174 0.01078033 33.54969495 -0.09072097 0.15582342 -0.36280757 Ni 28.24872315 1.78928125 33.54704165 -0.22280377 0.20220825 -1.04051590 Ni 31.77857201 0.03226613 31.81640594 0.06662291 1.26107279 0.08348455 Ni 33.53667590 1.76035475 31.80909764 -1.24058338 0.08754945 0.17680212 Ni 33.59567460 0.02504970 33.60097171 -0.72881665 0.95154090 -1.07957938 H 31.80393430 1.79111660 33.57928778 0.06912896 -0.00717697 -0.14688525 Al -0.02468552 3.51845874 31.77324026 -0.94602158 -1.36520756 0.82345431 Al 1.73512245 5.27161894 31.79169190 0.01447470 1.35828032 0.60048832 Al 1.81099008 3.55602564 33.55957541 -0.04810571 -0.55309293 0.83079200 H 0.03466235 5.29432105 33.57811377 0.04671095 0.09006829 -0.02050362 Al 3.52488497 3.52290589 31.77921611 0.59705162 -0.91421209 0.28997360 Ni 5.27927031 5.28359499 31.75536147 0.16325936 0.66578112 -0.06695763 Al 5.32316436 3.53079414 33.54513452 -0.31589391 -1.36313353 0.70945231 Ni 3.56895560 5.35504461 33.52067622 -0.76943823 -0.58043476 0.12524519 Ni 7.04556525 3.53848245 31.77342665 0.54481863 -0.79630735 0.21016419 H 8.85540369 5.33958720 31.75977255 -0.00675367 -0.05827046 -0.03905341 Ni 8.88532173 3.50145556 33.57611143 -0.31903992 -0.35478960 -1.21957647 Al 7.06978064 5.28187437 33.58087418 1.72231088 0.21731602 -0.02764863 H 10.63929334 3.56959793 31.80909127 0.04638487 0.00377848 -0.11096299 Al 12.40361946 5.32401121 31.83451560 1.29007329 -1.77463698 -1.71976395 H 12.39402401 3.55355012 33.54837965 0.09448490 0.14639013 0.14563924 Al 10.56812968 5.30271361 33.57155920 -1.04796653 -1.13345216 0.10312965 H 14.12586066 3.56037309 31.84710896 0.14622982 0.08097027 0.16215770 Ni 15.87345808 5.33549358 31.79998409 -0.52767604 -0.02222471 0.03056732 Ni 15.87362507 3.54158117 33.56413796 -0.49489033 0.45779309 -0.27247098 Ni 14.11576777 5.32957498 33.59767625 0.57267859 -0.49787094 -0.60966838 Al 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1.62004528 2.11815148 Ni 7.05603669 7.08537038 31.77791174 0.59233089 -0.33825336 -0.03806018 H 8.82385625 8.84651300 31.85057068 -0.11005912 0.02125045 0.06336488 H 8.81578929 7.08274596 33.53353031 -0.11030892 -0.02634971 0.07243719 Ni 7.03859860 8.89176600 33.54631949 0.44280409 0.12722277 -0.76962148 Al 10.58505324 7.09165845 31.77939655 -2.28072552 0.01460700 -0.95291920 Al 12.37085260 8.83005656 31.82280519 0.95506320 -2.05729298 -0.59483124 Al 12.37595336 7.06010979 33.57433355 0.90634550 0.49022873 1.43336214 H 10.59061971 8.88078520 33.59984646 -0.00659540 0.08016203 0.14931501 H 14.08360377 7.03487183 31.82407805 0.10850996 -0.11294191 0.08999010 H 15.85660066 8.82537077 31.79885739 0.15033593 -0.06604348 -0.15827276 H 15.84667258 7.01506638 33.58195860 -0.02782862 -0.24573281 0.02484278 H 14.15454269 8.88915859 33.57248082 -0.16852929 0.01517986 0.08907414 Ni 17.64570355 7.09390927 31.81205538 -0.41801762 0.67533501 -0.44645107 H 19.46360377 8.82031558 31.80845658 -0.27264091 -0.09129297 0.01740951 Al 19.45685926 7.06891660 33.55596541 -1.66235747 1.39491493 1.51142943 Ni 17.71435934 8.87157584 33.55836257 -0.01074400 -0.00669247 -1.11497847 Al 21.19004008 7.03482777 31.81407123 -0.85058490 1.49502113 -1.62448071 Ni 22.96668183 8.85132660 31.77366706 -0.08159023 0.43337024 0.81581974 Al 22.96321814 7.03420798 33.54016131 1.89501212 1.87053319 1.97793524 Al 21.22595030 8.82683381 33.56890080 0.40755502 1.66972156 0.32253951 Ni 24.78003773 7.05625772 31.78345282 -0.14644330 0.26715678 0.54531371 Al 26.46829915 8.80729946 31.82206800 0.60157034 -1.48381018 -0.50429601 Ni 26.50293080 7.07301486 33.57846754 0.08067395 0.08936851 -0.21403281 Ni 24.75096620 8.86867630 33.52414230 -0.61015528 -0.48200542 -0.04021426 Ni 28.28968690 7.06949653 31.83255901 0.47999933 -0.09003088 -0.45812989 Ni 30.02849797 8.85110405 31.77408317 0.60110250 -0.99129226 -0.44744570 Ni 30.04931559 7.02343248 33.53854934 0.33719544 0.16381417 -0.51485057 Al 28.29346255 8.81610174 33.55578516 0.39889306 -1.84423160 1.69689719 H 31.76489675 7.02649233 31.78438892 -0.01403282 -0.08113711 -0.00100391 H 33.58075513 8.79540860 31.77583302 0.04074203 -0.15565803 0.01239735 Ni 33.55484574 7.08418047 33.59675287 -1.01662981 0.02707019 -1.21531477 Ni 31.83426012 8.82571925 33.60717971 -0.08223000 -0.30601649 -0.96337605 H 0.01801826 10.61513941 31.84991475 -0.05142970 0.04249642 0.16508321 Ni 1.74478837 12.36971361 31.85033725 0.42477515 -0.55695527 -0.25369126 H 1.75999511 10.58622882 33.55116145 -0.15398932 0.13155747 0.12846583 Ni 0.02007419 12.33281755 33.58174280 0.91306613 -0.15605258 -0.57383260 H 3.53238113 10.58256540 31.76771713 0.00479709 0.09049634 -0.03824853 Al 5.32031147 12.34663182 31.79158880 -1.29771573 -0.74248396 -1.01176025 Ni 5.33865776 10.60985452 33.55009159 -0.15852164 -0.12153091 -0.51752804 Ni 3.53439311 12.36708383 33.53697581 -0.51266042 -0.51733246 -0.50211264 H 7.08816949 10.62585748 31.80921000 0.03252124 0.01099416 0.22264057 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31.76459637 0.00085638 -1.23538117 -0.30693442 H 26.51916017 31.81712858 33.53321779 -0.12760003 0.06662981 -0.02771887 H 24.75793884 33.56094152 33.60057726 -0.11970703 -0.09909411 -0.26071056 H 28.28595902 31.79708985 31.78199790 0.01535877 0.06538790 -0.08790027 Al 30.06278212 33.57849742 31.81181794 -1.82081208 1.10105619 -0.96230443 Al 30.07037345 31.81097243 33.59292943 -0.46316772 -0.55251760 1.33835467 Al 28.24983009 33.57113922 33.56493197 -0.78365548 -0.32255622 -0.51915778 Al 31.82446778 31.80862908 31.79400754 1.91866732 -1.01392027 0.37259176 H 33.52397856 33.51955539 31.84743551 -0.13538435 -0.09592792 -0.14869907 H 33.57624266 31.81356985 33.58892614 -0.41929753 -0.08157794 -0.07331011 Al 31.81907422 33.59138909 33.57361511 0.75133294 0.18487364 0.36658312