500 Lattice="17.527229838378403 0.0 0.0 0.0 17.527229838378403 0.0 0.0 0.0 17.527229838378403" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1427.6203448808537 stress="-0.004677034474871011 -0.0008332193613649205 0.0015605920665018225 -0.0008332193613649205 -0.004498054918661096 0.0018118006906024263 0.0015605920665018225 0.0018118006906024263 -0.005646930535227402" free_energy=-1427.6203448808537 pbc="F F F" Al 0.00210570 0.05771885 0.00813285 0.70995335 0.09406622 -0.23080126 Ni 1.78105011 1.77541841 0.00937912 -0.07828820 -0.77184448 0.02146624 H 1.75600643 0.00729725 1.79856594 -0.01273368 -0.09178297 -0.13941163 Al 0.00898225 1.70432451 1.75494979 -0.32787483 0.21717279 0.78505692 Al 3.52841868 0.00890345 0.00696746 -0.45873947 0.16790029 0.15185951 Ni 5.24990900 1.72017890 0.02024435 -0.46295847 0.22264499 -0.12106493 Ni 5.23093511 0.01002193 1.76420328 0.48252931 0.07118125 -0.25878010 Ni 3.53187613 1.77156310 1.77744602 -1.04146679 -0.63992606 -0.25703297 Al 6.99208884 0.02842359 0.02082380 -0.37035527 -1.48369419 -0.74434734 Al 8.78556128 1.79885661 0.02595041 1.94480413 0.07748498 -0.48545364 Ni 8.75624778 0.00833024 1.75721049 0.46843298 0.46699171 0.42966142 Al 6.98907958 1.78685934 1.77404918 1.14527378 -0.45699366 1.57644818 Ni 10.47453800 0.03462382 0.03232049 0.33942199 0.62304990 0.83923174 Ni 12.28581951 1.78058454 0.01890658 -0.42835993 -0.23124332 0.73838426 Ni 12.27287036 0.05417655 1.78037551 -0.61479968 0.01013549 -0.01189933 H 10.50825412 1.76597014 1.81068398 0.14084210 -0.40059978 -0.14438336 H 14.01147077 0.02115382 0.02810626 -0.11070354 0.03095979 0.02629287 Al 15.74829646 1.74015391 0.00249334 0.82560528 0.14601701 -0.54241569 Al 15.80110996 0.01043731 1.76112207 0.05657717 -1.14619422 0.16215022 Al 14.02818604 1.72830625 1.77742049 -1.89905630 -0.30893951 -0.74257353 Al 0.02570735 3.48851098 0.01784240 -0.13271947 0.33762966 -0.79890881 H 1.69185015 5.25691779 0.00460809 -0.11959787 0.01686485 -0.12760633 Al 1.74498525 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0.03269224 -1.05744062 0.57442966 -1.86393022 Ni 15.80015656 5.22601018 0.02633292 0.00372320 -0.11535091 0.20777111 Ni 15.79910470 3.55789142 1.74169447 0.53054241 -0.37177406 0.17281616 Al 14.06114611 5.26895424 1.70127735 -0.57199935 0.01421343 0.23733379 Ni 0.02133126 7.00705574 0.00264702 0.64904441 -0.36580303 0.79655558 Al 1.71807682 8.80121123 0.03349803 0.62734674 -0.30137738 -1.30406987 H 1.77900501 6.98624617 1.71460471 -0.03272969 0.16680664 -0.02766787 Al 0.01773418 8.79186644 1.75579949 -1.66647554 0.58911288 -0.58162540 H 3.45262203 7.04487618 0.04038195 0.03154418 0.11690908 -0.00416409 H 5.26812157 8.80588786 0.03294795 -0.17457627 0.06121220 -0.10399275 Al 5.22487842 7.01934214 1.78730352 -0.96144299 -0.42629616 -0.80949254 Ni 3.45643632 8.77561831 1.74054125 0.24290031 -0.49795435 -0.15734146 Al 7.03047191 7.00805989 0.01071904 -0.59174157 -0.91585343 -1.46074743 Al 8.75216775 8.79403921 0.00354973 0.74022738 -0.12733387 -2.34102097 Ni 8.81176062 7.02800656 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0.02969600 -0.10986453 0.14168535 -0.06299478 H 5.24861728 12.28856644 0.02197256 0.01495013 -0.04473386 -0.08504081 Al 5.23504660 10.53863839 1.78112002 -0.32429699 0.01121601 -0.42742708 Al 3.48063990 12.29876557 1.75803934 -0.48250732 1.40140439 0.06864270 H 7.00342625 10.52577615 0.00735629 0.12556378 0.11286322 -0.14901760 Ni 8.74693736 12.26281110 0.02184021 0.74523998 0.51341288 0.18562615 Al 8.74279190 10.53895875 1.78739108 0.80577325 2.30707499 -0.38291971 Al 7.01959243 12.27653861 1.76804340 -0.79526031 1.62346893 0.23581141 Ni 10.53475782 10.48750670 0.04253531 0.24629164 0.91668216 -0.06086693 Ni 12.28454033 12.26574492 0.01787175 -0.48632975 0.46586694 0.50577934 Al 12.26381763 10.52339240 1.78365817 1.18252548 0.56743307 -0.98799292 H 10.52992421 12.26981511 1.70239264 0.03602491 -0.05734943 -0.20695512 Al 14.03290030 10.51184057 0.03366928 -0.04957399 -1.11868537 -0.63872009 Al 15.77117523 12.25107256 0.01618133 0.00551313 0.16824941 0.26260479 Ni 15.71926029 10.49639794 1.77397139 -0.15905395 -0.21872167 0.19709470 Ni 14.04005383 12.25943507 1.75932189 0.11648930 0.83519063 0.32211106 Ni 0.02625792 14.01973635 0.02855443 0.93162944 0.23393930 0.97372871 Ni 1.74577152 15.78555783 0.02695178 -0.18752074 -1.15803193 1.25727191 H 1.73688066 14.02028079 1.80115607 -0.09839498 0.11695045 -0.21514552 Ni 0.02063727 15.78686582 1.78388994 1.36248004 -1.35216313 -0.21380077 H 3.55581581 14.01107961 0.03497695 -0.23480132 0.12125121 0.00921242 H 5.28387266 15.80914132 0.01406242 0.01303352 -0.37546245 0.37191867 H 5.27593093 14.00422597 1.71061075 -0.00604375 0.12534059 0.01564419 Ni 3.52595856 15.77569773 1.74624994 -0.42509909 -1.24582777 -0.29458032 Ni 7.01290359 14.04680307 0.03498903 0.01937119 0.57815283 0.73062994 Ni 8.76238500 15.75850752 0.01061534 0.33677277 -1.17414722 0.92522592 Ni 8.74085813 14.00556426 1.74221625 0.86414265 0.28260581 -0.15523479 H 6.97153359 15.75983027 1.78499014 0.23202220 -0.23194893 -0.10444938 H 10.51082419 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8.79153215 15.80331729 0.09453243 -0.03635484 0.10099361 Al 14.00977844 7.01210260 14.05130595 1.51580740 0.41653452 1.37145158 H 15.75308474 8.73459631 14.01310122 0.06735409 -0.01444340 -0.06441805 H 15.80581707 7.00403122 15.80820652 -0.48908415 0.27855877 -0.21826516 Ni 14.05350148 8.79094204 15.79007698 0.01486998 -0.16957538 -0.48987530 H 0.03368717 10.53972234 14.03176074 -0.12926321 -0.02901904 0.07046412 Al 1.75057419 12.25288025 14.00290682 -0.83160789 -0.04573856 0.79738110 H 1.73484698 10.54181499 15.77016678 -0.02470615 0.01356006 0.07199793 Al 0.02762005 12.26240401 15.79620996 0.42267782 0.11329644 -0.41450484 Al 3.50621731 10.48252232 14.02389349 -2.14029880 -0.87732183 1.26537451 Al 5.25135070 12.24177846 14.02510210 0.02345711 2.68932722 0.89107417 H 5.24148964 10.45459313 15.77468805 -0.01757075 -0.06874625 0.02280951 H 3.55350617 12.25568033 15.76930678 -0.02682142 -0.08592654 -0.10861839 Al 7.03777674 10.51753263 13.99116423 -0.82703297 -1.28934208 0.82235455 Al 8.73768279 12.27744542 14.03233555 -1.24221672 2.85034780 -2.20192884 Al 8.79945835 10.54007337 15.74309111 -0.28535644 -2.63828872 2.29807481 Al 6.97681524 12.24835441 15.78367669 -1.39297408 1.00294632 1.75272399 Al 10.54050077 10.53906512 14.02617883 2.15036441 -3.03783895 -0.19347087 Ni 12.25058180 12.21846234 14.01996531 1.18611004 0.37171893 -0.00366136 H 12.23637458 10.57630300 15.71903232 0.09120132 -0.00883295 -0.02974020 Al 10.54385464 12.26639988 15.74293589 2.40118378 0.98829301 2.22440980 Al 14.02870561 10.51809170 14.00167931 -0.65000070 0.44928790 0.87096372 Ni 15.80269704 12.26389337 13.97107590 -0.39290061 0.15990458 0.15145551 Al 15.76856562 10.50962343 15.78277814 -0.13691675 -0.01273621 -0.56461731 H 14.04024997 12.30409830 15.76595121 0.09604333 -0.08249830 -0.01542240 H 0.04844143 14.06767148 14.01732265 -0.14222075 -0.00438992 0.06278301 Al 1.72051971 15.76246557 14.03348182 1.43564288 0.58724555 1.03371856 H 1.75967913 14.04940600 15.78840755 -0.00642551 0.11460314 0.10594311 Al 0.00622995 15.75019701 15.78658720 0.25386866 -0.57400097 -0.14477630 H 3.48122150 14.01256263 14.03850545 0.10255490 0.20459772 -0.09885675 Ni 5.27233466 15.77665977 14.00649137 0.18048728 -0.81440415 0.23800022 H 5.27879018 14.03735670 15.77467155 0.04296707 0.25528670 0.06867937 Ni 3.49652140 15.79494209 15.79743101 0.13971324 -0.73614507 -1.37576345 H 6.97692941 14.02723262 14.01031719 -0.12281345 0.26889630 0.09258265 Ni 8.73215519 15.78948704 14.04781284 0.01039589 -0.79973684 -0.20559250 Al 8.78794579 14.01283315 15.79908516 -0.33727335 2.19641378 0.69499329 Ni 7.02177317 15.77469769 15.75484253 -0.32313316 -0.79086107 -0.93953330 Ni 10.50978530 13.99212897 14.00748311 0.35400304 1.22737713 -0.08464729 Ni 12.28048845 15.76492368 14.07513408 -0.55690822 -0.53727461 0.09133786 H 12.29191096 13.96597454 15.77360222 -0.01862739 0.06444816 -0.03162252 H 10.53772230 15.76915878 15.79478909 -0.02444972 -0.02546880 -0.21771541 Al 13.99899591 14.02390839 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