108 Lattice="10.53964567728194 0.0 0.0 0.0 10.53964567728194 0.0 0.0 0.0 10.53964567728194" Properties=species:S:1:pos:R:3:forces:R:3 energy=-282.36673708047897 stress="-0.010573507631995722 -0.003329668661634293 0.005111559592303045 -0.003329668661634293 -0.0023907415342463378 -0.0011980601693852345 0.005111559592303045 -0.0011980601693852345 -0.0030605280791173067" free_energy=-282.36673708047897 pbc="F F F" Ni 0.02413786 0.03034777 0.03142237 0.69243937 0.71435335 0.47888530 H 1.73524152 1.77737795 0.00204836 -0.03555874 -0.05701002 -0.15459942 H 1.76793217 0.03017370 1.70143587 -0.07390203 -0.06828584 -0.19289364 H 0.01443372 1.75494969 1.78810920 -0.00373766 -0.05431721 -0.22459825 Al 3.53795911 0.00955382 0.02008882 -0.50863080 0.19322472 -0.86393460 Ni 5.28866800 1.78339963 0.04594626 0.56526740 -0.04000429 -0.26121426 Al 5.30158739 0.02533489 1.72491835 0.66914637 -1.61226286 0.82367902 Al 3.49253854 1.74414823 1.75405459 -2.08283283 0.13600019 -1.02877363 Al 7.01653554 0.02112283 0.02831595 0.56022873 0.90348746 0.00186772 Ni 8.76308928 1.76274556 0.02466257 -1.30783611 0.19770292 1.10059850 H 8.80278241 0.01370437 1.79442773 -0.12102151 0.19367132 0.09028202 H 7.04784637 1.73535094 1.79531942 0.13273284 -0.17950610 0.01667956 Al 0.00753462 3.50215395 0.01897194 0.96109379 0.42260133 0.67063806 Ni 1.77084890 5.25261610 0.01812675 -0.19893603 0.25199343 0.99822920 H 1.80455395 3.56608787 1.77467601 0.03891001 0.08212360 -0.19309643 Ni 0.00147564 5.31321667 1.73272246 1.07437404 0.16827897 0.06185261 Ni 3.51769420 3.52889197 0.00999204 -0.38687073 0.03014379 0.63800606 H 5.27670432 5.26969620 0.00176221 -0.06817021 -0.06096567 0.00934594 Al 5.21752029 3.51472027 1.78937029 0.30911563 1.06425144 -2.46812977 H 3.49414591 5.21896095 1.76627192 0.07361530 -0.12666833 -0.06344227 H 7.01162647 3.49850867 0.01809617 0.08237941 -0.09476744 -0.14411929 Ni 8.78548322 5.25753065 0.03300321 -0.44943154 -0.16286411 0.83783636 H 8.81357354 3.50185574 1.72853688 0.15602558 -0.01512622 -0.06645720 Al 7.01180844 5.27307802 1.77575561 0.04491445 -0.26352442 -2.18759727 Ni 0.01727079 7.01847206 0.03083191 0.82483351 -0.05683263 0.96473220 Al 1.78971961 8.80168609 0.02940040 -0.98120273 -0.92035395 0.13073847 H 1.75606246 7.04531543 1.79255025 -0.43233300 0.12268186 -0.03368525 Ni 0.01211655 8.79225001 1.74910760 0.81862399 -1.01488622 0.22385459 H 3.53337217 6.99705030 0.02587437 0.02670365 0.07919774 -0.05548442 Al 5.26208068 8.79391281 0.01618682 0.59728455 -0.73686643 0.59088443 Ni 5.27049571 7.01993235 1.76940227 0.05675278 0.30600935 -0.50512076 Al 3.48258989 8.81051605 1.72842028 -0.02868468 0.39182491 0.65477159 H 7.00139572 7.07936587 0.00412060 -0.03096241 -0.05423674 0.03410219 H 8.81216722 8.81759632 0.01334656 -0.25288951 -0.77866067 0.76415196 Al 8.76699926 6.99755859 1.76380624 1.11417167 1.44223121 -1.30204835 H 6.99793366 8.74698939 1.77958881 -0.08272863 0.08095641 0.08925961 H 0.03133178 0.05464107 3.50404553 0.23394827 0.15072279 0.34401013 Al 1.72980415 1.70823061 3.48125092 -1.08374118 0.21489952 -1.28624312 Ni 1.80173648 0.03013365 5.25245774 -0.20318117 -0.00669550 0.50005463 Al 0.00875460 1.77821432 5.25536444 -1.10761371 -0.86496612 -0.11662434 H 3.49983631 0.04052785 3.54086301 -0.11690192 -0.20117864 0.10531545 Al 5.26445770 1.76330644 3.51029237 0.27541472 -1.45856027 -1.25974235 Al 5.30600293 0.00956777 5.27614534 -0.53329858 -3.23555012 0.18936361 Al 3.48549934 1.73336716 5.24764854 -1.89336097 -0.42448828 0.95561112 Ni 7.03813038 0.03031528 3.48937144 0.62335148 0.19723145 -0.76134348 Ni 8.74854868 1.76988987 3.48521939 -0.41247936 -0.19156582 -0.38542931 Al 8.76488369 0.04838746 5.22860849 0.21824173 -0.49800959 -0.15525196 Al 6.99446955 1.71386449 5.27635372 2.54763999 0.71285375 0.89985410 H 0.01961046 3.52643058 3.52687221 -0.08827891 0.04792285 0.13258111 H 1.72970337 5.28602784 3.53074591 -0.25790560 0.03726872 0.13400709 Ni 1.72003604 3.52942276 5.30277278 0.41983125 0.05704599 -0.87207340 Ni 0.01885047 5.29004354 5.30099355 -0.00557227 0.14204304 -0.70672481 Ni 3.53043393 3.49273825 3.46603117 -1.65641311 1.16513952 0.04190638 Ni 5.25746227 5.26088475 3.48234188 -0.32705498 0.57581587 0.47834922 Al 5.23568015 3.48177035 5.27845968 0.83712236 2.95263677 1.27440666 Al 3.48401015 5.27104037 5.30054845 0.28650287 -1.47768568 -1.09225423 Al 7.00980011 3.49606020 3.50466468 2.54094715 0.46906368 0.06107322 Ni 8.76448804 5.28243443 3.51453296 -0.26005174 -0.21946872 0.47437316 H 8.79550750 3.50445448 5.26718665 0.11719909 -0.07629057 -0.16525616 H 7.06920404 5.24621223 5.27302163 0.08115448 0.03681751 -0.11516846 Ni 0.01133583 6.98928669 3.46646477 0.65651735 0.09704637 -0.25109910 Ni 1.75125984 8.75257426 3.53557034 -0.40648534 0.18011772 -0.45381764 Al 1.74234903 7.05329323 5.25558494 -1.78191861 0.57091956 -0.90482565 Ni 0.00191567 8.78583146 5.23799062 0.43970815 -0.47951273 0.11067871 Al 3.48706401 7.03397181 3.50144910 -0.63982968 -0.75671182 -2.03432685 Ni 5.27045390 8.79358902 3.52676047 0.26767439 0.08017096 -0.35512828 Al 5.29052553 7.02187963 5.27816279 0.64005217 0.35539949 0.27744372 Ni 3.50705352 8.77979614 5.27502381 0.34247754 0.45648543 0.23110639 Al 7.08572002 7.05814770 3.51944267 -0.32251457 0.56134557 0.73829045 Ni 8.75647222 8.78064373 3.55395567 -0.47718800 -0.47630754 0.12445185 H 8.73415862 7.08289924 5.25839140 0.07199451 0.22727630 -0.08443411 Ni 7.06075400 8.78494079 5.24497277 -0.02513263 -0.02919630 0.34958793 Ni 0.03093394 0.00584187 7.02432553 1.10107290 0.92929611 -0.23248325 Ni 1.76932853 1.75824318 7.05504191 0.14873565 -0.58806242 0.59132593 H 1.73267906 0.03246904 8.77244233 0.00389434 0.36274014 -0.40916131 H 0.01786611 1.80109736 8.80373757 0.16525169 0.09877100 -0.18589421 H 3.56878314 0.05498262 6.98127729 -0.15341349 -0.08508653 0.02896413 Al 5.24556145 1.75484045 6.99219512 0.51513153 -0.66157802 3.99452102 H 5.31211474 0.02557442 8.79418368 -0.39133170 0.70574434 -0.36595124 Ni 3.49760146 1.75000429 8.81033507 -0.06086528 0.00690071 -0.76477453 H 7.06072405 0.02525149 7.07003237 0.05808453 0.00666119 -0.12150025 Al 8.79049762 1.81550556 7.00023725 -0.36619442 0.33627437 1.40999589 H 8.79799065 0.00216346 8.77887810 -0.11102404 0.75747831 -1.05139239 H 7.02323806 1.71530104 8.76319632 -0.17659649 0.20128616 -0.24580545 Al 0.00048090 3.51632956 7.00804704 -1.36729558 -0.31259117 1.11670026 Al 1.74584487 5.29492659 7.01104214 -0.98600906 -1.44835623 0.15160965 Ni 1.75210444 3.52677948 8.77847435 0.15761520 -0.43080392 -0.22818970 Ni 0.01730747 5.23454644 8.76903415 0.06169674 0.31495477 -0.38833673 Ni 3.53688977 3.51709334 7.06958978 -0.29909416 0.04992853 -0.02193095 H 5.23499007 5.26367890 7.04947768 -0.07482368 -0.11798559 0.13992178 Ni 5.26897909 3.54776516 8.76336528 0.36865428 -0.02531528 -0.72014809 Al 3.50652817 5.26936908 8.78834488 0.78449815 -1.66498057 1.83039068 H 6.99212007 3.52802731 7.03957447 -0.03931970 -0.14904630 0.14012443 H 8.76664958 5.24666965 6.99987522 -0.52172048 0.40015218 -0.19383007 H 8.79312445 3.48157634 8.77469327 -0.33601007 -0.69213954 -0.85097160 H 7.00978163 5.28175244 8.74725593 -0.33311279 0.03750653 -0.00723348 Ni 0.01178756 7.01487236 6.99667534 -0.42110707 0.49398004 -0.03050245 Ni 1.79090233 8.78100646 6.98604783 -0.73572211 0.39431748 0.10871034 Al 1.72202014 7.00103014 8.75700987 -1.43214578 1.39352520 2.37130498 Ni 0.01951726 8.75889684 8.74822174 0.67724795 -0.59756404 -0.92952506 Al 3.48719268 7.04869002 7.07146963 1.46935299 1.63275138 -0.62971392 H 5.27841763 8.81182460 7.00776766 -0.00916625 0.08807142 -0.01009329 Al 5.26856013 7.03809891 8.78629342 0.59681763 -0.08516440 1.06927737 Ni 3.48503284 8.75099978 8.79258837 -0.10544603 0.13809271 -0.38748418 Al 6.99261291 7.01917043 6.99103467 1.44810455 -1.58637918 -0.03146146 Al 8.76612640 8.76989048 7.03593581 0.13304649 -0.13112965 -0.77774020 H 8.78579673 6.99961361 8.79185426 -0.38895792 0.44741635 -0.36176018 Al 7.03678588 8.77999360 8.76236638 -0.13358765 0.40470389 0.13511522