108 Lattice="9.64603695277983 0.0 0.0 0.0 9.64603695277983 0.0 0.0 0.0 9.64603695277983" Properties=species:S:1:pos:R:3:forces:R:3 energy=-256.28677296977384 stress="-0.0073297924170205525 -0.006023603962885821 -0.005988196632034205 -0.006023603962885821 -0.006530187759808869 -0.005952195268568812 -0.005988196632034205 -0.005952195268568812 -0.00481558197802415" free_energy=-256.28677296977384 pbc="F F F" Ni 0.00589336 0.00085685 0.02631717 0.33884923 0.33172809 0.51544114 Ni 1.58384530 1.61511470 0.00228420 -0.50873362 0.53026006 0.91147388 H 1.61132563 0.03551389 1.61486500 -0.07081034 0.11781879 -0.25691526 H 0.00799447 1.58353233 1.60247292 -0.06834031 -0.10329164 -0.11932213 H 3.23647491 0.03642867 0.00191595 -0.00189725 0.07239756 0.12694139 H 4.79188474 1.64331929 0.03199328 0.08742751 -0.18712873 0.16966540 Ni 4.81900083 0.04305446 1.60538212 -0.06579332 -0.38968688 0.57103587 Ni 3.24096423 1.55669425 1.62320996 0.45613257 -0.04899557 -0.39737477 Ni 6.44901797 0.01364652 0.00120710 0.38361465 0.56406303 0.38953495 H 8.05652203 1.63089743 0.01433460 -0.63214042 -0.35066841 0.25249487 H 8.02515033 0.04729964 1.61098735 -0.64312199 0.23973310 -0.39730272 Ni 6.40192400 1.61515107 1.59922423 0.29167838 1.04504523 0.37261414 H 0.00487390 3.25778566 0.02094246 0.03905658 0.20112354 -0.09733911 Ni 1.59286733 4.83425726 0.01066398 -1.20566048 -1.09804909 -0.97085240 H 1.61336785 3.19857466 1.58965058 0.32397740 -0.04627823 -0.05082188 Ni 0.01776002 4.85289712 1.60641386 0.49217055 -0.34379036 0.42381616 Ni 3.19779812 3.22853879 0.01737513 0.90174918 -0.25458610 0.06636243 H 4.83172262 4.85655010 0.00742444 -0.40121414 0.14507522 -0.11161549 H 4.79194462 3.25441200 1.65264825 -0.45442985 -0.01417410 0.15695883 Ni 3.22303606 4.79625479 1.61437880 -0.84837359 -0.73719723 0.90752461 H 6.42477874 3.21489173 0.01761862 0.31159662 -0.02489205 0.03162019 Ni 8.04761787 4.80206947 0.02011862 -0.81398388 0.38993695 0.91814415 H 8.02238925 3.19102243 1.58040241 -0.11106550 -0.00290924 -0.33615184 H 6.41809776 4.80977881 1.57474589 0.02225920 0.18497146 0.02368937 H 0.02892266 6.42207443 0.01934993 0.18015887 -0.33995927 0.25406019 H 1.60174338 8.01709657 0.03666128 0.25695848 -0.50188343 0.22403147 Ni 1.62965600 6.45858080 1.59691280 -0.76311474 2.06455679 1.70545417 H 0.00140208 8.04181520 1.62395556 0.78117210 -0.90078944 -0.00633775 Ni 3.21106721 6.41643567 0.00321762 0.40489564 1.03191882 -1.09345420 H 4.84413267 8.01579537 0.03284178 -0.01340497 -0.09707506 0.08331555 Ni 4.80121743 6.41524327 1.59791530 0.23363245 0.30937555 -0.97194195 H 3.18795871 8.05494980 1.56799147 0.02602702 -0.08107449 -0.05980880 H 6.39549265 6.39250838 0.05353200 0.22251960 0.14462299 -0.08852628 Ni 8.01957558 8.06897001 0.03077478 -0.19644142 -0.86553003 0.75824627 H 8.00694622 6.48731759 1.56105965 0.08398184 0.31183514 -0.14927307 Ni 6.40026812 8.06115611 1.60756809 0.38822485 0.33426441 -1.04336490 H 0.00228216 0.03195712 3.21761041 0.11109293 0.09916472 0.39167327 Ni 1.63619766 1.62875134 3.19585356 -0.07290865 -0.49425005 -0.46390478 Ni 1.60703991 0.02006508 4.85177208 0.39250247 -0.96028105 -1.05591112 Ni 0.01307895 1.61234609 4.81584546 -0.74764662 0.31338479 0.95574338 H 3.18568208 0.00649025 3.19579079 0.00301448 -0.04529607 -0.07131029 H 4.84589262 1.60424375 3.20946849 0.04467649 -0.24867802 -0.29139717 Ni 4.79163782 0.02672743 4.83832238 -0.91620434 -0.44651932 -2.77106226 H 3.19617787 1.62704296 4.79037582 -0.21903622 -0.44309801 0.11813380 H 6.43737508 0.01642652 3.21125598 -0.23871647 -0.02956604 -0.10824825 H 7.99569636 1.60451471 3.27325793 -0.01992959 0.19141335 0.10551792 H 7.99767688 0.01795630 4.88083184 -0.05866621 0.04042634 0.30884333 Ni 6.45719151 1.63115122 4.83480040 -0.45367202 -0.23354035 -3.74090774 Ni 0.00139436 3.20341522 3.23125928 1.16854431 0.94735084 -0.43991808 H 1.62664902 4.84664047 3.27046742 0.07218163 0.06244328 -0.12191298 H 1.65956016 3.17409379 4.80203735 -0.11140460 -0.20073555 -0.26148898 H 0.04763054 4.84172314 4.78141930 -0.07987858 0.04291224 0.03319368 Ni 3.24784554 3.19175842 3.18530030 -0.42443679 -1.08396542 0.98396417 Ni 4.80612301 4.79860767 3.23192483 1.99692259 -0.16443989 1.11277563 H 4.83442098 3.25138493 4.79648525 -0.05533449 0.25455965 0.07481214 Ni 3.23423583 4.82598671 4.82083385 -0.39117929 -1.08779518 -1.03359544 H 6.39298790 3.24741719 3.21492492 0.11372542 -0.17963598 0.02483928 H 8.02353007 4.83396585 3.19033050 0.23139951 0.05928138 0.23265758 Ni 8.04182131 3.21565126 4.81977483 0.45582447 1.15388609 -1.33848983 H 6.41862966 4.81068847 4.87852598 0.22038996 0.13143416 0.33565218 H 0.01224615 6.43497671 3.17356981 0.04884819 -0.07003198 -0.25992570 H 1.58625178 8.04053022 3.18906119 -0.07970514 -0.22753108 -0.04975285 Ni 1.63232723 6.45966242 4.80732057 -1.33826960 0.57505602 -2.82092376 H 0.01980872 7.99931633 4.83241471 0.66922211 -0.27442153 0.36962582 H 3.20116139 6.42685608 3.23870263 0.09520140 -0.25023668 -0.15110700 Ni 4.84101658 8.03261245 3.22677475 -1.99835884 -0.13388903 0.64190943 H 4.84074909 6.36837608 4.81234329 0.13406199 -0.17928992 -0.02795890 H 3.18411663 8.06604384 4.83498607 -0.26747306 0.09563929 0.12628494 Ni 6.44740354 6.40222210 3.26200261 0.30991759 -2.38726871 -0.27254916 Ni 8.02487751 8.05140341 3.22824471 0.96325430 0.83093815 -0.87829073 Ni 8.04854461 6.43254949 4.83750712 1.70477573 -1.75286868 -0.56106796 Ni 6.40636359 8.04116427 4.80847056 -1.49806401 1.59457494 1.08890666 H 0.00810189 0.02654053 6.42567200 0.02444652 0.21635617 -0.14263471 Ni 1.63643908 1.58267091 6.41772799 -0.25798405 1.86549228 -0.77218253 H 1.62148083 0.01778421 8.02369345 0.12380090 0.18909194 -0.00254614 Ni 0.00195588 1.63030509 8.05179537 0.36367714 -0.33901543 -0.71940608 Ni 3.21986161 0.02824008 6.40036110 0.16830648 -1.53917137 0.75104581 Ni 4.84728717 1.57690274 6.42495810 -2.45401891 2.38357817 0.47068330 H 4.78182239 0.05131384 8.01337193 -0.03807279 0.17186802 -0.12212545 Ni 3.19072633 1.58640963 8.04299621 0.83052715 0.50181042 1.01863776 Ni 6.42488512 0.00553749 6.40246377 0.73521683 -1.95443760 1.05502732 Ni 8.01391336 1.62582184 6.46127101 2.58585256 -1.57907658 0.01982345 H 8.04814123 0.01902919 8.02086634 -0.22511003 0.20943527 -0.22599909 Ni 6.42716097 1.63560479 8.06446645 -1.10222683 -0.98766797 1.83126934 H 0.02478635 3.16811715 6.43919057 0.06383569 -0.30817671 0.24372298 Ni 1.61457491 4.85157359 6.40843789 -1.98980335 -1.43747464 0.52004023 Ni 1.59762362 3.19373732 8.04743294 -0.45621214 0.79964890 0.09236454 H 0.00878118 4.82339846 8.03657554 0.35044918 -0.26271841 -0.09285218 H 3.19122563 3.21489821 6.41321503 -0.24347937 0.21732033 0.43172781 Ni 4.85130920 4.84379899 6.39656249 0.67483503 -0.81021364 -0.06222652 H 4.84847866 3.24928950 8.05892966 -0.02260664 -0.10778855 -0.05861433 Ni 3.22064980 4.79361078 8.06744149 0.61316867 -0.10187721 0.33143230 Ni 6.41834579 3.19201734 6.44004701 -1.90200193 2.59370390 -0.12769515 Ni 8.03976057 4.82237480 6.46137366 0.81904043 -0.19805381 -0.33286224 Ni 8.01327198 3.20772842 8.02862224 0.92513095 1.11708560 1.37018447 H 6.45409360 4.81491229 8.05910067 0.39570273 0.01865116 -0.24730110 H 0.00724222 6.39943856 6.40258328 0.23024343 0.07544953 -0.14806622 Ni 1.61579033 7.99324737 6.42466676 -1.74578899 0.38175774 0.77161404 H 1.57108601 6.42068564 8.03081302 0.33222818 0.14940364 -0.09546174 H 0.00555214 8.03222198 8.05053478 0.98922486 -0.11437274 -0.79973013 Ni 3.18458928 6.43838477 6.40642099 2.46813882 1.80778500 0.75062574 H 4.81184464 8.05323194 6.42825253 0.11269167 0.11406618 0.22470220 H 4.83442368 6.43930705 8.03924338 -0.18497411 0.06669677 -0.06083596 Ni 3.18819272 8.01432513 8.06543891 0.55113624 -0.79489263 -0.11773528 Ni 6.45344705 6.44838593 6.45658492 -3.19053747 -1.05514194 -0.49830915 Ni 8.03667383 8.03228751 6.37909606 1.66865594 1.59094367 0.15872568 Ni 8.01044101 6.41844901 8.03450396 1.08293044 -0.75446108 1.31462306 Ni 6.46233020 8.02353572 8.04147733 -1.48865115 0.74450157 0.37350125