500 Lattice="17.569927315700976 0.0 0.0 0.0 17.569927315700976 0.0 0.0 0.0 17.569927315700976" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1417.0287918879542 stress="-0.004814998616375485 -0.0017760054592661722 0.0015994030243341236 -0.0017760054592661722 -0.004409464218193362 0.0006242626860617298 0.0015994030243341236 0.0006242626860617298 -0.00483263004050047" free_energy=-1417.0287918879542 pbc="F F F" H 0.01414847 0.05730720 0.04787627 0.58758368 0.29797163 0.29949890 Al 1.78203300 1.78154553 0.03078822 -0.85450892 1.09254411 -0.51452783 Al 1.74229799 0.01173175 1.76271747 -0.73345017 -0.13921348 1.44357395 H 0.01319429 1.74732681 1.75526550 -0.02100670 0.03250212 -0.08041813 Al 3.53245240 0.01335217 0.02901680 1.14436804 -0.51845726 -0.52545020 Ni 5.33154375 1.76590034 0.03374907 -0.20253661 -0.58737031 0.67781946 Ni 5.24151373 0.00313491 1.75922878 0.65598272 0.40136624 0.21147131 Ni 3.50282031 1.73973807 1.76380020 0.02381362 0.35825906 0.46278197 Al 7.04987516 0.00491968 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0.83215415 0.25603735 H 7.03782197 8.73119614 1.76255822 0.11729590 -0.23620066 -0.09487224 Ni 10.57011351 7.06248859 0.00968328 -0.16435657 0.49839459 0.46689483 H 12.36097067 8.74265302 0.05229692 -0.10994901 -0.11952797 -0.05611874 Ni 12.28310626 7.03800333 1.77488590 -0.56353411 0.80537319 -0.23275408 H 10.56899643 8.75526145 1.76506904 0.04168231 -0.05095401 -0.14390219 Al 14.07613657 7.05486268 0.03390703 -1.17790647 0.89067226 -1.59231532 H 15.78447746 8.77526503 0.02756281 -0.02138587 -0.11515485 0.16113536 Ni 15.77507079 6.98346928 1.74764200 0.38458041 0.60803488 0.66417355 Al 14.04541481 8.83791346 1.75724710 -0.38228218 -0.25065743 -1.47721767 Ni 0.03257248 10.53889686 0.01691671 0.30530069 0.43475431 0.29888973 Ni 1.79051969 12.33684121 0.04114179 -0.83436790 -0.16177032 -0.50432153 Al 1.74631847 10.54515032 1.75648393 -1.51916819 0.22050718 -0.27666635 Ni 0.06471405 12.32879762 1.77652215 -0.37582690 -0.20777412 -0.34362162 Al 3.51658303 10.60217742 0.00499436 1.46577671 0.09877771 -1.53096664 H 5.28131761 12.31989882 0.05246640 -0.00241105 -0.03850769 0.05203740 Ni 5.29135130 10.54484493 1.77170485 0.53266017 -0.23188225 -0.18864360 Ni 3.49684079 12.26047255 1.74480363 1.03603172 0.83223415 0.06606221 Al 7.02519651 10.54373547 0.00243965 -0.12259786 -1.05601371 -0.13141156 H 8.77859175 12.27427717 0.02439355 0.01566978 -0.07761307 -0.13491549 Ni 8.77555559 10.52408887 1.75702830 0.25331490 -0.54960321 0.17454367 Al 7.06563175 12.27734355 1.73975386 0.01352154 0.43974962 1.08029583 Al 10.56079481 10.55720873 0.03382876 -0.61621652 -0.63435500 0.55847146 Al 12.33243670 12.29601019 0.01823642 0.38484348 0.55629747 0.54231334 Ni 12.31728714 10.53261055 1.78377988 -0.61023881 0.51804936 -0.49565374 H 10.53458488 12.31011587 1.79310404 0.04465829 0.05619969 0.07259013 H 14.04986876 10.60184272 0.06022694 -0.10358056 -0.02426015 0.02362701 H 15.78909888 12.33885974 0.04048949 -0.16608218 0.35136197 0.28390431 Al 15.79386538 10.54922667 1.78357953 1.03211695 0.18093136 -1.24328487 H 14.05203161 12.34471652 1.77081805 -0.02792016 0.16593222 -0.14615612 Ni 0.03472459 14.06475786 0.01966086 0.83078452 -0.63683442 0.67234452 H 1.80326609 15.80366216 0.02701115 0.08102729 -0.11664825 0.10271255 Al 1.78832344 14.06118104 1.74767559 -1.32251360 1.61029095 0.31294374 H 0.02461409 15.81456440 1.77296645 0.27199684 -0.25712028 0.02528908 Al 3.56508276 14.05188640 0.01699842 -0.26592672 -0.66111027 -1.34937962 Al 5.27341875 15.84573853 0.05268937 -0.11976273 1.65969788 -0.26760408 Ni 5.26729370 14.09070472 1.72810373 -0.15409747 -0.78941971 1.02428703 Ni 3.47741667 15.82689496 1.74627094 0.37681849 -0.03138869 0.55174886 Al 7.01595933 14.08523098 0.03037247 1.01076480 -0.70669681 -0.81187411 Ni 8.72939587 15.79211065 0.03236027 0.27080405 -0.37164710 0.65984974 H 8.76676008 14.10741341 1.69878784 -0.00485259 0.24524758 -0.13242054 Ni 6.96596739 15.82255247 1.74483484 0.62152707 -0.11505173 0.77993237 Ni 10.51548767 14.07070003 0.02738748 -0.21666645 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Ni 10.53835006 5.32806770 5.23084385 0.04524185 -0.29855720 -0.13944381 Ni 14.05613434 3.51093988 3.51790036 -0.17366120 0.31114607 -0.03321701 H 15.79396816 5.21254843 3.45433017 0.07295431 0.04063864 -0.04422146 H 15.83305809 3.49813224 5.28568995 0.01879549 -0.03379035 0.17394312 Al 14.02974253 5.24638052 5.27186220 -0.36680451 0.49756102 0.61895303 H 0.01513829 7.05720947 3.53250305 -0.18055381 0.09914136 -0.04820997 Al 1.73075633 8.75875045 3.51959935 -0.53015528 -1.95403204 0.49937582 H 1.77047291 7.02412005 5.22897650 0.05767884 -0.06576936 0.08911023 Ni 0.04006431 8.80691579 5.26856527 -0.15087847 -0.21281276 -0.28711958 Ni 3.53011516 7.06318432 3.53375692 -0.63364652 -0.17841269 1.02901030 Al 5.26955851 8.80900490 3.54571011 1.31668043 -0.56266702 0.28085936 H 5.21300037 7.00648168 5.25507759 -0.21244798 -0.18350697 -0.04507284 H 3.51260498 8.76138870 5.24399554 0.06262923 -0.01917105 -0.03654926 Ni 7.01532865 7.02640354 3.52383874 0.38252586 0.39511560 0.04969869 H 8.75982741 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