108 Lattice="10.716352872242386 0.0 0.0 0.0 10.716352872242386 0.0 0.0 0.0 10.716352872242386" Properties=species:S:1:pos:R:3:forces:R:3 energy=-388.9371615737882 stress="-0.008278368542356846 0.00045578558697502593 -0.00043416279019631895 0.00045578558697502593 -0.009791881803025405 0.002139320910105185 -0.00043416279019631895 0.002139320910105185 -0.004721169415564925" free_energy=-388.9371615737882 pbc="F F F" Ni 0.00663755 0.03133087 0.03178608 0.52223964 0.54048107 0.22577605 Ni 1.78887515 1.81444299 0.00495720 0.07899504 -0.19401345 0.30343626 Al 1.77280797 0.02418767 1.75199917 0.39246743 -0.63219274 0.51051381 Al 0.01981511 1.82093426 1.80177459 -1.25743174 -0.01144079 -0.35797808 Al 3.55256458 0.02903232 0.00073170 0.50409503 0.60187530 0.21632032 Ni 5.37477156 1.75604057 0.03244459 -0.15424357 0.50205125 0.06652606 Ni 5.39244418 0.04293343 1.79008477 -0.29644559 -0.33693205 0.01623726 Ni 3.60590883 1.77613109 1.81434493 -0.46577407 0.33729789 -0.47397767 Ni 7.16311297 0.03569183 0.01597876 -0.13446540 0.01766025 0.12652368 Ni 8.91884374 1.84245821 0.02451489 -0.13264015 -0.09928697 0.13426797 Ni 8.91941268 0.03398679 1.76499677 -0.16781982 0.27977620 0.43624026 Al 7.15308202 1.74501133 1.79896154 -0.16440748 0.33918859 -0.97372806 Ni 0.02165630 3.56220654 0.01204130 0.34994469 -0.03603654 0.16901026 Ni 1.80566993 5.34150017 0.03558868 -0.14881843 0.39165501 -0.16607421 Al 1.78047341 3.54658734 1.80681667 0.04692512 0.78834965 -0.42359324 Ni 0.00263087 5.36326955 1.77985246 -0.19684104 0.05831610 0.18454159 Al 3.56277187 3.60075226 0.00252463 -0.35909254 -0.94216569 -0.63856654 Al 5.38477205 5.38959297 0.03245613 0.16098125 -0.09740962 -0.97713045 Al 5.36157684 3.59172369 1.78973820 0.28034514 -0.87923530 -0.46629118 Ni 3.54608768 5.37511901 1.77390224 0.24760270 -0.30193315 0.48335491 Ni 7.14658841 3.56423168 0.02586642 -0.33533661 0.21170099 0.03321629 Al 8.93576483 5.36125360 0.01601828 0.40976572 -0.43968303 -0.97059135 Al 8.89487905 3.55174021 1.75816050 0.86026930 0.18842500 0.55179486 Al 7.16484020 5.38869921 1.75442341 0.04346666 -0.30623164 0.72492253 Ni 0.02340434 7.13546484 0.00800644 0.48463547 0.10930312 0.40865312 Al 1.80048985 8.95105901 0.02430564 0.22456647 0.29389268 -0.44610755 Al 1.76026992 7.12124076 1.80694682 0.78956166 -0.87086790 -0.19755405 Al 0.02130707 8.92262166 1.79236852 -0.91225540 0.48768754 -0.30834888 Al 3.57512766 7.11907516 0.02990512 -0.37888827 -0.29194054 -0.39611076 Al 5.36691941 8.94795828 0.01972596 0.19236103 0.35747826 0.55621412 Ni 5.35481658 7.12559884 1.73730450 0.31124516 0.28332519 0.50704160 Ni 3.56897497 8.95465780 1.75870901 -0.36312179 -0.20673734 0.26502816 Al 7.16830101 7.15766800 0.00442323 -0.68791484 0.33510395 -0.57102063 Al 8.93227614 8.90254108 0.00201336 -0.16411412 0.40534638 0.26262557 Al 8.95986732 7.13584751 1.81516130 1.06733237 0.38855002 0.97355564 Ni 7.15084602 8.92263848 1.81444598 0.14697445 -0.31875257 -0.12630611 Ni 0.02122003 0.02905041 3.58618445 0.17524969 0.22211338 -0.19724286 Al 1.77874429 1.78080907 3.54406749 0.42854223 -0.27504293 0.57188312 Al 1.79493051 0.00123085 5.35345425 -0.19800819 -0.18600312 0.13825331 Ni 0.03622327 1.77891087 5.38825780 -0.01049209 0.25826873 -0.23945520 Ni 3.60548788 0.05104893 3.54972949 -0.30420455 -0.12581674 0.03218803 Al 5.38966652 1.77638031 3.58283596 -0.19128272 0.54265165 0.30628990 Al 5.40630534 0.00481669 5.32829075 -0.07242528 -0.82896124 0.47331556 Ni 3.60223314 1.75546054 5.41696550 -0.39315447 0.45731498 -0.36160409 Al 7.12869589 0.01979145 3.58079659 0.16762767 -1.23992521 -0.77582410 Al 8.95575109 1.81269210 3.56445640 0.62829936 0.52696105 0.14475985 Al 8.94287792 0.03396227 5.34432385 0.00155672 -0.60346156 0.61070787 Ni 7.19486484 1.75130298 5.32679125 -0.37928956 0.43248181 0.27454782 Ni 0.04061647 3.58948047 3.55208730 -0.04960988 -0.20842935 0.25551630 Ni 1.75761568 5.38398361 3.55740853 0.47892465 -0.30376492 0.13388775 Al 1.80562739 3.55227552 5.38931785 -0.79340832 -0.71284243 0.23900853 Al 0.03200949 5.34042494 5.33423291 -0.63455513 0.38277004 0.61578706 Al 3.59215523 3.57558880 3.60041756 -0.44212604 -0.34428309 -0.39980149 Al 5.40962848 5.34014545 3.53615602 -0.21798109 0.98551276 0.47859602 Ni 5.33179334 3.58096519 5.41337830 0.51721376 -0.53835797 -0.33831150 Al 3.55478589 5.32363338 5.36695187 -0.63545065 1.55456050 -0.38561389 Ni 7.16874434 3.57715755 3.55049538 -0.28547569 -0.23653077 -0.29564498 Ni 8.94847444 5.36796669 3.58300840 -0.17700795 -0.20941769 -0.60466000 Ni 8.90650857 3.56276257 5.33632651 0.35428616 -0.29348475 0.23384379 Ni 7.16599002 5.36547899 5.34425074 -0.35592196 0.51449970 0.31391101 Al 0.02873559 7.17608978 3.53686194 -0.72433764 -1.19977007 0.06211135 Al 1.80484434 8.93923147 3.59532828 1.14635799 0.65595392 -0.24856592 Ni 1.74953552 7.12211710 5.36425076 0.17819492 0.31036604 0.10674276 Al 0.00279701 8.94147304 5.35239041 -0.42924489 -0.19262840 0.74616207 Ni 3.52809137 7.16368141 3.56077119 0.33777129 -0.35265064 0.02954064 Ni 5.33427589 8.95759437 3.59152442 0.07951973 -0.41717998 -0.44919911 Ni 5.34401501 7.15308616 5.38671763 0.58311757 -0.46938104 -0.44221953 Al 3.59302020 8.90173438 5.39096598 0.38882151 0.43523185 -0.49023581 Al 7.16201945 7.11980886 3.54131189 -0.84542209 0.65343940 -0.11747931 Ni 8.94639385 8.93334388 3.55812780 -0.39050815 -0.26310021 -0.25518618 Al 8.91520087 7.16055478 5.32441213 0.64112485 -0.64155549 0.97732185 Al 7.11313396 8.89834116 5.35245896 -0.37368342 0.72651070 0.56625858 Ni 0.00658666 0.00559692 7.15138718 0.53548414 0.34022431 0.01380809 Ni 1.83561724 1.79953725 7.15686656 -0.22148282 -0.22203274 -0.11841570 Ni 1.77390494 0.02642291 8.94853523 0.34882048 0.25202507 -0.55297682 Ni 0.00128460 1.75467335 8.94579964 0.42819912 0.26553823 -0.48606138 Al 3.55329669 0.01538871 7.13370352 -0.87032504 -0.88668219 0.05072588 Al 5.35010762 1.75636071 7.17141164 1.39697256 0.73338255 -1.45821554 Al 5.36316416 0.00930329 8.93830245 0.69110218 -0.94416625 0.32964519 Al 3.55205498 1.80150811 8.92567948 -1.24050604 0.14618702 1.16219307 Ni 7.15384395 0.05399304 7.11463649 -0.24638161 -0.43954881 0.01386555 Al 8.90754430 1.75301770 7.15025959 0.48075569 0.64993128 -0.71526384 Ni 8.90179938 0.02802751 8.93459955 -0.34799308 0.14566849 -0.40343335 Al 7.16909487 1.73341319 8.91795149 -0.02954699 0.27056451 0.74225615 Ni 0.02175749 3.59974469 7.14271607 -0.03125225 -0.39040837 0.19416149 Ni 1.75111803 5.33712854 7.13257654 0.72188755 0.49341388 0.29838218 Ni 1.78684844 3.54585042 8.92915228 0.15327651 0.32863349 -0.10803923 Ni 0.01232484 5.36973005 8.96083702 0.39481743 -0.06792121 -0.43753564 Al 3.60717281 3.60271937 7.15361193 -1.34462872 -0.79748076 -0.21939456 Al 5.38630683 5.36236289 7.14861875 1.50798170 0.31179659 -1.30503248 Al 5.39199500 3.57818997 8.89822363 0.59198340 -0.41592654 1.14768202 Al 3.57501403 5.37155373 8.91587696 -1.27346284 -0.36470839 0.99929483 Ni 7.17984682 3.56742553 7.14756690 -0.33961055 -0.38534341 0.28512922 Ni 8.95639138 5.33325438 7.12038105 -0.31739138 0.10400447 0.29679232 Al 8.92913522 3.57227584 8.96049874 0.24280440 0.33353776 -0.27528904 Al 7.12577980 5.33064585 8.91582670 1.09319366 0.90184708 0.12637541 Ni 0.02582873 7.13474722 7.16708359 -0.00172035 0.20493239 -0.38482798 Al 1.81388178 8.92882592 7.12687424 -0.35680404 0.49637755 0.33184786 Al 1.77230441 7.13981308 8.89499147 -0.33823621 -0.15546540 0.65607812 Ni 0.02600100 8.92310693 8.92904317 0.42183060 -0.42302213 -0.66185230 Al 3.60571025 7.12645375 7.08096431 -0.78808007 0.17596632 0.18674302 Ni 5.35085904 8.89039406 7.14617124 0.00575136 0.03817214 0.27352730 Al 5.34969026 7.11724239 8.96237337 0.66911325 1.38165039 0.47344408 Ni 3.57694398 8.91826227 8.94414783 -0.04871194 -0.58200176 -0.62902258 Ni 7.12329228 7.16207578 7.15055493 0.24585701 -0.30972940 -0.14840561 Ni 8.92836208 8.94024264 7.16106545 -0.37324471 -0.45825003 -0.26678917 Ni 8.94295467 7.13988348 8.90766604 -0.45974136 -0.37969112 -0.47152877 Ni 7.17991393 8.89700412 8.90625142 -0.29789283 -0.32012904 -0.31187858