108 Lattice="10.421498274984515 0.0 0.0 0.0 10.421498274984515 0.0 0.0 0.0 10.421498274984515" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.0505123839038 stress="-0.006972038254708937 -0.0004506631367779495 -0.0008714937463829973 -0.0004506631367779495 -0.007151732691555143 -8.522657934386173e-05 -0.0008714937463829973 -8.522657934386173e-05 -0.007310993356427304" free_energy=-536.0505123839038 pbc="F F F" Ni 0.04725156 0.03190915 0.01280143 -0.06899594 -0.06722539 0.05736766 Ni 1.70767021 1.71870906 0.02868039 0.13136379 0.29532631 -0.15851571 Ni 1.76424184 0.00246794 1.71864855 -0.33751732 -0.21835680 0.19960265 Ni 0.01293108 1.73103791 1.75794613 -0.09264422 -0.16521753 -0.21205409 Ni 3.44462597 0.02365185 0.00480370 0.24480864 0.15909100 0.08891745 Ni 5.24427989 1.72887110 0.02843057 -0.14885868 -0.15532585 -0.07073901 Ni 5.22091047 0.02063074 1.75634802 -0.15518592 -0.15900640 -0.32854779 Ni 3.47217872 1.68802743 1.75086391 0.12829826 0.19286878 -0.32373132 Ni 6.95623733 0.01679067 0.00353409 0.04382789 0.05017202 0.15990652 Ni 8.69157437 1.69393834 0.01373573 -0.12536562 0.14513056 0.05204780 Ni 8.70306914 0.00829752 1.70363695 -0.16070697 0.07446783 0.06726829 Ni 6.95919691 1.75215082 1.75963062 0.11057978 -0.14997024 -0.43678766 Ni 0.00850264 3.50656215 0.01111314 0.23084840 -0.13531401 0.17877302 Ni 1.76530645 5.23616324 0.01989358 -0.33869062 -0.42365097 -0.12329982 Ni 1.70994374 3.49611784 1.76304094 0.11838579 -0.29374644 -0.62718931 Ni 0.01929643 5.21080864 1.71533811 -0.17131291 0.01994223 -0.15754768 Ni 3.50384133 3.43971140 0.01641071 -0.23420326 0.14099829 0.13900478 Ni 5.19157248 5.22293787 0.02312398 0.18590761 -0.14867387 -0.15817159 Ni 5.23089910 3.48488209 1.73002030 -0.15264088 -0.10081358 -0.32052217 Ni 3.50131127 5.20728039 1.74064066 -0.22230878 -0.11634924 -0.40726694 Ni 7.00213159 3.49703656 0.01958766 -0.20968788 -0.24303814 -0.21890053 Ni 8.68692258 5.18847745 0.00984453 -0.02078666 0.16046258 0.06986857 Ni 8.66991974 3.46191323 1.71429932 0.21808001 0.21136142 0.00773343 Ni 6.95077329 5.20942081 1.70698792 0.36717172 0.01282357 0.06992814 Ni 0.00960773 6.97360921 0.02352380 0.13462720 -0.08205235 0.04472345 Ni 1.77642229 8.65457085 0.02240496 -0.10038288 0.09821678 -0.01131803 Ni 1.75788235 6.95651436 1.71947758 -0.16779118 0.17510246 0.12481971 Ni 0.01949477 8.68361442 1.71122699 0.13990448 -0.09373747 0.07262610 Ni 3.44374273 6.91988263 0.01235758 0.54019962 0.50694887 -0.13192626 Ni 5.19452773 8.70695072 0.03148503 -0.03128107 -0.32270041 0.20148483 Ni 5.22905943 6.94276423 1.72699524 -0.20922116 0.46756185 -0.18804883 Ni 3.48704998 8.70441260 1.75037021 0.08434927 -0.07171187 -0.09505572 Ni 6.98188864 6.97050219 0.03027884 -0.10461030 -0.00552565 -0.25792810 Ni 8.68221261 8.69114341 0.01676529 -0.07976268 -0.06237346 0.15841522 Ni 8.69579266 6.93517843 1.70482281 0.06976927 0.10428495 0.21340468 Ni 6.95207460 8.66351768 1.75446305 0.08050773 0.18222841 -0.14558211 Ni 0.02091725 0.00830012 3.50158396 0.16052404 0.13371559 -0.05888972 Ni 1.74334454 1.69430239 3.50852593 -0.35643526 0.02394731 -0.17546598 Ni 1.73259683 0.00134148 5.23502087 -0.13729542 -0.11814341 -0.13677179 Ni 0.00524046 1.72427354 5.23391532 -0.08036055 -0.06236258 -0.17410231 Ni 3.45865060 0.00458975 3.50504216 0.17087562 -0.06410974 -0.09554262 Ni 5.23725080 1.74036596 3.45759283 -0.39457129 -0.19214088 0.27608097 Ni 5.20261357 0.03164589 5.18462014 0.06627059 -0.04841039 0.18346378 Ni 3.47668482 1.73945027 5.22015380 0.12523210 -0.33560183 -0.16393512 Ni 6.96374766 0.02432089 3.44340004 0.27857759 -0.14418452 0.32946721 Ni 8.66028968 1.75461412 3.43945004 0.24900641 -0.38705945 0.26533573 Ni 8.70603921 0.03352121 5.22728132 -0.30694045 0.25326409 -0.12753726 Ni 6.93349742 1.75897882 5.18824826 0.26006895 -0.37258727 0.27023755 Ni 0.03043876 3.44462335 3.44558871 -0.12143305 0.29204767 0.45890792 Ni 1.72311584 5.23647762 3.44523970 -0.08202744 -0.32990998 0.33727751 Ni 1.72594978 3.46253254 5.23154734 -0.28656501 0.30038249 -0.47817290 Ni 0.02762164 5.24216985 5.18682441 -0.09080735 -0.29244435 -0.03071357 Ni 3.45299236 3.45288206 3.44619341 0.22397920 0.18143319 0.32557117 Ni 5.19773539 5.22336961 3.45438307 0.11999452 -0.30153308 0.30860494 Ni 5.16463398 3.50747035 5.24013614 0.35213426 -0.21091694 -0.37204467 Ni 3.45705025 5.21315741 5.19288351 0.01554422 -0.03586895 0.16205028 Ni 6.96582170 3.50852901 3.50419740 0.08975459 -0.02295593 -0.30839451 Ni 8.71137246 5.20193524 3.50453265 -0.09544020 -0.09989012 -0.39347944 Ni 8.66501668 3.44851627 5.18407263 0.21490246 0.15980374 0.25701852 Ni 6.96095097 5.21553474 5.20425587 0.15949045 -0.09526747 0.02282991 Ni 0.03598090 6.91517595 3.43997740 -0.19585057 0.66938486 0.14660403 Ni 1.73221339 8.70868847 3.46840087 -0.10882648 -0.16410943 0.09306434 Ni 1.73920030 6.95087436 5.21665296 -0.13567319 0.30608289 -0.16293764 Ni 0.02537989 8.68381339 5.22205082 0.16245752 -0.23566248 -0.14631906 Ni 3.50214857 6.95139415 3.48261831 -0.26265155 0.53683672 -0.10721859 Ni 5.21563807 8.70115668 3.50101187 0.10877312 -0.04082808 -0.20687772 Ni 5.22393817 6.96974363 5.17664956 -0.17464224 0.17217382 0.35052802 Ni 3.50184121 8.70999311 5.19065197 -0.24860913 -0.15096775 0.06630335 Ni 6.95920361 6.92377599 3.48529128 0.30093634 0.40735208 -0.26819633 Ni 8.68250419 8.70333589 3.44961060 -0.20988239 -0.33848280 0.09392471 Ni 8.67153648 6.91986248 5.17611097 0.19789086 0.48927728 0.14690728 Ni 6.97573176 8.66445202 5.21974274 0.14195941 0.10310559 -0.18774724 Ni 0.05706345 0.00804013 6.95013335 -0.09628872 0.03697454 0.13216278 Ni 1.73115306 1.76872693 6.94015319 -0.12026382 -0.33648459 0.33872340 Ni 1.74771611 0.02852751 8.66976664 -0.07715757 0.10092512 0.01067877 Ni 0.00948949 1.75749442 8.66391603 0.10719204 -0.02917772 -0.15025420 Ni 3.43963364 0.01512816 6.95080768 0.30840449 -0.07832263 0.12123689 Ni 5.17935001 1.74069971 6.97532484 0.39981705 -0.26428533 0.04094918 Ni 5.17696515 0.00393302 8.68210704 0.16798856 0.11546884 -0.22104347 Ni 3.50151086 1.71147833 8.69465102 -0.23920306 0.09526801 0.07103294 Ni 6.94761508 0.01474358 6.93791086 0.05092569 0.08286089 0.15239706 Ni 8.70419954 1.73587950 6.95826782 -0.12842254 -0.04226525 0.12143557 Ni 8.67030582 0.01890283 8.68816288 -0.16301952 0.15493562 -0.15785582 Ni 6.93622576 1.74499581 8.71691472 0.10404356 -0.15201044 -0.15584561 Ni 0.00464861 3.52068052 6.93347278 -0.31055573 -0.34101778 0.16590267 Ni 1.68642007 5.17736478 6.97455337 0.33413316 0.45106585 -0.12716495 Ni 1.72709450 3.48597504 8.65087544 -0.05784058 -0.09866120 0.32771758 Ni 0.00538571 5.21047478 8.65985050 -0.09081388 -0.07958989 0.06216695 Ni 3.46955557 3.46292888 6.96685329 0.09041172 0.38652031 0.38458130 Ni 5.22863923 5.23795649 6.92870731 -0.31848208 -0.26387819 0.47333839 Ni 5.21472529 3.47694269 8.69398578 -0.08825788 0.14778935 -0.13272777 Ni 3.47811591 5.23855122 8.65100996 0.04301420 -0.22221442 0.11269303 Ni 6.98215612 3.50135578 6.95597417 -0.08399863 -0.26984024 0.23942136 Ni 8.65566664 5.21979753 6.91946082 0.24065681 -0.09361501 0.38629512 Ni 8.68505176 3.46860378 8.69457956 -0.27726417 0.11227997 -0.25361229 Ni 6.92503238 5.23248513 8.68271324 0.40635896 -0.25065366 0.10394354 Ni 0.00847179 6.94520355 6.94768322 -0.13914006 0.18373538 0.09049387 Ni 1.74853417 8.66469988 6.93390831 -0.09768918 0.16439121 0.18631659 Ni 1.67864859 6.92468823 8.68717603 0.20296336 0.28461720 0.03861913 Ni 0.02375043 8.71471347 8.67295686 0.14908572 -0.16445824 -0.19429681 Ni 3.47216531 6.95139403 6.98029367 -0.01160163 0.17983559 -0.20139825 Ni 5.20612675 8.66918023 6.92214410 0.06842428 0.11002213 0.33027598 Ni 5.23213743 6.96061863 8.65669078 -0.19554000 0.25340259 0.27677404 Ni 3.48100223 8.65324452 8.66789197 -0.09315585 -0.12138913 -0.10218180 Ni 6.93712357 6.94942191 6.97662407 0.41026063 0.26152535 -0.15204647 Ni 8.68814713 8.65221906 6.92225013 -0.08524063 -0.18532790 0.18661860 Ni 8.71002177 6.90861751 8.71764823 -0.25135284 0.08015088 -0.27075467 Ni 6.99143491 8.65994788 8.71259669 0.03457290 -0.17614537 -0.26718304