108 Lattice="10.371195587466572 0.0 0.0 0.0 10.371195587466572 0.0 0.0 0.0 10.371195587466572" Properties=species:S:1:pos:R:3:forces:R:3 energy=-287.32944266065454 stress="1.078788034048972 1.0615849146866743 9.949471056236696 1.0615849146866743 2.180417675183257 0.4187698132693427 9.949471056236696 0.4187698132693427 -1.8282970642369678" pbc="F F F" Ni -0.00539442 -0.00080522 0.00822467 1.08174278 0.71724920 0.93676102 Ni 1.72787697 1.76445984 -0.02897607 0.08001388 -0.23883104 0.20123873 H 1.72974169 -0.01500686 1.71866900 -0.13700440 0.11225459 -0.24874037 Ni 0.02313619 1.71266856 1.70771730 -0.17173376 -0.33487729 -0.48361833 Ni 3.43650980 0.02066360 -0.00120286 -0.36620421 0.57951032 0.38611379 Ni 5.20765784 1.76069917 -0.00072640 0.10803308 0.27520416 0.73407151 Al 5.19647720 -0.01520953 1.75244534 0.61096504 -0.59966381 -0.71570028 Ni 3.40713060 1.72654431 1.73604969 0.25433379 0.24853825 -0.59536810 Al 6.96852740 0.01775564 0.01147685 0.10745416 0.69704896 0.40551275 H 8.61357723 1.74367528 -0.00626103 -0.01975046 -0.20986759 0.22502376 Ni 8.62908492 -0.00225966 1.75683237 -0.69885659 0.47084548 -0.32901010 H 6.93508325 1.69062663 1.74563658 -0.10202748 -0.26376677 0.05118335 H -0.01232620 3.47537498 -0.00616243 0.13533832 -0.00351638 0.09001616 Ni 1.72081810 5.20925835 0.00664516 0.40445230 -0.56362398 -0.09426426 Al 1.72933826 3.43981654 1.72183814 0.78475048 1.63651149 -0.48886512 Ni -0.00512936 5.21758240 1.72403545 -0.28503336 -0.64482609 0.30342447 H 3.45122200 3.47669312 0.04131052 0.03794886 -0.20079616 -0.01325149 Al 5.15344442 5.21027314 -0.02837637 -0.11189395 -0.06386093 0.66816933 Ni 5.19729265 3.46632285 1.70430591 -0.01501422 -0.40521085 0.03596247 H 3.45969912 5.19349826 1.72785290 0.03318182 0.03264756 -0.31312814 H 6.90810980 3.43218542 0.00414186 -0.30056626 0.07643739 0.08707440 H 8.64958533 5.20671959 -0.02339006 -0.18261889 -0.00708231 0.51315968 Al 8.62516048 3.39113952 1.70478197 -1.25364331 -0.08972531 -1.11280080 Ni 6.88658401 5.16933149 1.71175390 0.41359649 -0.15546589 -0.86237731 Al -0.00606035 6.90784383 0.00225610 -0.25606818 0.21482887 -0.36021154 Ni 1.72310627 8.64190000 0.00786750 0.36655071 -0.92964760 0.58169855 Al 1.72247220 6.86309893 1.72730704 1.58850784 0.18753271 0.94975757 H -0.01777646 8.63032722 1.70540811 0.12716055 -0.05962582 -0.02212131 Ni 3.44844847 6.91389225 0.01226614 0.24812502 0.22027455 0.38409155 Ni 5.19335335 8.65073247 -0.02366921 -0.16519224 -1.25650247 0.78919958 H 5.14655051 6.94593425 1.71249676 0.02487438 0.00469049 -0.33545902 H 3.47399361 8.61279563 1.70182801 -0.11102234 0.04063966 -0.44198914 H 6.88405941 6.91541942 -0.02879733 -0.13856056 -0.00538153 0.03875328 H 8.66606774 8.65990798 -0.00479599 -0.27565283 -0.68813291 0.89480779 Al 8.60272297 6.94495669 1.75158026 0.15838967 0.43396545 -2.64444073 H 6.87623985 8.66418889 1.73494223 0.02684201 0.03807747 -0.07055194 Ni -0.01634788 0.03732735 3.45339171 -0.02733095 -0.15893466 -1.01001856 Al 1.69409167 1.70391442 3.47258591 0.60746119 1.57521844 -1.06368193 Al 1.74394065 0.01038330 5.19221514 -1.28751574 -2.67330175 0.95596278 Al -0.02576407 1.69579356 5.18692471 -1.96941040 1.21019162 1.39360180 Al 3.43758118 0.00176183 3.45335625 0.38292456 -2.09486855 -0.74682161 Ni 5.18347044 1.70765944 3.44106464 0.86752144 1.23699828 -0.88684484 Ni 5.18129690 0.03180703 5.21752159 0.14654309 -0.99590013 -0.86470692 Ni 3.43461616 1.75867187 5.14553006 -0.35154950 1.53568720 0.23758350 Ni 6.93852196 -0.01568248 3.42657983 -0.46249829 -0.17049969 -0.31054743 Al 8.65692515 1.69757403 3.44151775 0.88645519 0.23798007 -1.74348219 Al 8.67262444 -0.02310556 5.15252999 1.53703681 -1.95585664 0.10053430 Al 6.93563526 1.73070354 5.15558960 -0.77548915 0.82776931 -0.49712509 Ni 0.01705528 3.43993705 3.43386629 0.01572095 0.69767955 0.14305410 H 1.71155019 5.17116150 3.45624930 -0.32688542 0.14389445 0.07226500 H 1.68952282 3.52200513 5.20389642 0.03765520 0.01396461 0.14057528 Al -0.00285921 5.18506744 5.17088078 0.11909961 -0.84475763 -0.32217364 H 3.45725152 3.48941457 3.41434021 0.24821940 -0.22133884 0.00261266 Al 5.19040453 5.22111835 3.45088590 -2.59410850 -0.41874899 -2.13771511 Al 5.15767085 3.45754860 5.19189229 -1.29523847 0.43385769 0.24818767 Ni 3.42618473 5.21371462 5.19597228 -0.45635210 -0.04283389 0.48191259 H 6.88948236 3.43990002 3.45867206 -0.11415893 0.07360802 -0.19881369 Al 8.66804554 5.18538741 3.42361472 1.82405797 -0.23285065 0.02901997 Al 8.66613163 3.45313733 5.20319922 1.60084805 0.28698882 1.03927871 Al 6.88308399 5.17081750 5.16981506 0.45868196 0.14921567 2.56041670 Ni 0.03610080 6.89397886 3.46690650 0.17026418 -0.00639694 0.18032505 Al 1.72020689 8.64131461 3.48123086 -0.65757939 0.04791596 -0.35101634 Ni 1.76961507 6.91621013 5.21093245 0.00418112 -0.19323186 0.07666532 H -0.01485559 8.65171900 5.16384196 0.12612716 -0.12933002 0.03198489 H 3.51705339 6.96467590 3.45520486 -0.05905391 -0.06254026 0.36289985 H 5.12220698 8.63952915 3.44563230 0.08673185 0.07464564 0.23030345 Ni 5.15776361 6.95508182 5.17604499 -1.26029570 -0.24161058 0.79748919 Al 3.42921196 8.66528090 5.16862498 0.66231169 0.05858389 0.89718858 Al 6.91909607 6.90148756 3.47894259 -1.03596134 1.70870110 -1.47194171 Al 8.65873883 8.63567733 3.45958251 0.71236436 0.53923520 0.01749008 H 8.62519274 6.93567575 5.18452148 0.08614520 -0.02666515 0.13229040 Al 6.89319199 8.63459415 5.17778890 -0.41485124 1.68035385 0.20429815 H 0.01376811 -0.01818542 6.91865715 0.12752134 0.15778648 0.23340392 Ni 1.68904353 1.73811821 6.89701023 -0.09506909 1.36301362 0.70695076 Ni 1.74492913 -0.02562075 8.62934051 -0.62390704 0.75661222 -0.34583666 Ni -0.00004339 1.75088251 8.62306677 1.22091775 -0.09549727 -0.90811289 Al 3.42791216 0.00686816 6.89542725 0.28534914 -2.23958691 0.87190889 Al 5.17058723 1.72603736 6.90817623 0.32244609 1.72609288 1.90189239 H 5.22967887 0.01808905 8.65593308 -0.10500922 -0.00071961 -0.03502505 Al 3.43960233 1.75292294 8.65219077 -0.96575890 0.99562545 0.73845737 Al 6.90837733 0.01265521 6.92268025 -0.43921969 -1.96364276 1.13914526 Ni 8.67149116 1.70258194 6.88616821 0.06139650 0.65274248 0.90796578 Al 8.62440147 0.01000620 8.61286968 0.48946059 0.55310680 0.10013381 H 6.95546018 1.70235867 8.63895366 0.18124165 -0.02550999 0.07649544 H 0.00737042 3.41410365 6.95798064 0.02118635 -0.22767697 0.13690096 Ni 1.76490774 5.15673142 6.87966222 0.20684778 -0.33020990 0.54080244 H 1.71529896 3.42537813 8.61863894 -0.03677232 -0.04116013 -0.01829872 H -0.01747090 5.22281792 8.62541288 0.31694641 0.19379879 -0.57603014 H 3.39604193 3.48409536 6.95140591 -0.18999556 0.19003138 -0.01338610 H 5.15687771 5.19849453 6.91407561 -0.09261041 0.27280628 0.04773762 H 5.15917245 3.45768143 8.65260418 -0.18247199 0.09732293 0.18905050 Ni 3.45468520 5.17018517 8.66692887 0.29692913 0.23090371 -1.80052073 H 6.90908599 3.43126426 6.94835157 0.27324106 0.04827029 -0.02680539 Ni 8.61409129 5.16144604 6.95337847 0.00921618 0.30256607 -0.27899205 Al 8.65720127 3.46142257 8.63815973 0.10884088 -0.67803593 -0.69341723 Al 6.89010527 5.20786674 8.65659823 -1.23503829 -0.35527829 0.14421174 Al -0.00558021 6.93462942 6.92985956 0.75253847 0.50900498 0.58244909 Ni 1.66993599 8.63654758 6.92463573 0.07528721 -1.30465126 0.23073603 H 1.70393080 6.97194585 8.61023376 0.00272528 -0.02505913 -0.19804910 H -0.00968211 8.66591758 8.64575058 0.57228520 -0.42254256 -1.01552778 H 3.46655779 6.96391478 6.90368740 -0.00876556 -0.01669772 -0.17517257 Ni 5.17336281 8.66047818 6.88496117 -0.78295247 -0.49627548 0.57988181 Ni 5.17346064 6.94399679 8.64952059 -0.72185046 -0.15444968 -1.05937367 H 3.48189560 8.62079152 8.63084052 0.28014682 -0.11115204 -0.25246885 Ni 6.88401100 6.92820769 6.88998231 0.09046556 -0.58530869 0.02988533 Al 8.66692230 8.63453118 6.90522151 0.81369284 -0.55455890 -0.21160689 Ni 8.62452119 6.89456563 8.63004936 -0.05951816 -0.06340993 -0.21032689 Al 6.89827073 8.65743960 8.62727786 -0.46323319 0.31306376 0.78576885