108 Lattice="10.461218831694168 0.0 0.0 0.0 10.461218831694168 0.0 0.0 0.0 10.461218831694168" Properties=species:S:1:pos:R:3:forces:R:3 energy=-417.7583067731491 stress="-0.014445849452403861 0.0013942128705584846 0.001459436901383815 0.0013942128705584846 -0.01417628889372892 0.0015778775047396358 0.001459436901383815 0.0015778775047396358 -0.014009931955700106" free_energy=-417.7583067731491 pbc="F F F" Ni 0.00985003 0.00072378 0.04767693 0.10997019 0.16819638 -0.05093918 Ni 1.76300091 1.73366274 0.01576490 -0.07073147 0.35419076 -0.69392687 Ni 1.72549253 0.00905892 1.72564324 0.48397700 -0.43647533 0.74361862 Ni 0.02430480 1.74558773 1.71747593 -0.50607452 0.17538470 0.77781259 Ni 3.45661676 0.02870777 0.02888304 0.31124862 -0.36249231 -0.29550934 Ni 5.23268290 1.75124819 0.01391577 -0.04928590 0.18346853 -0.60041779 Ni 5.20364714 0.00435786 1.76399712 0.15107824 -0.28464173 -0.12646046 Ni 3.49225684 1.75510929 1.71162162 -0.15655155 0.21015254 0.77152193 Ni 6.97291680 0.01220608 0.01123820 -0.20518767 0.17825339 0.18224326 Ni 8.74550746 1.77368343 0.03154588 -0.21276423 0.23384343 0.04289301 Ni 8.73206255 0.03225594 1.73865229 -0.24847553 0.10177534 0.39986477 Ni 6.94070522 1.77933743 1.73375530 0.31262364 -0.24158170 0.23005302 Ni 0.03128356 3.46405621 0.02827568 -0.50622197 0.05777409 -0.42269794 Ni 1.70887292 5.19936397 0.01394170 0.39864123 0.61990172 -0.64556002 Ni 1.72070320 3.50251032 1.70889229 0.50527792 -0.30812132 1.03694367 Ni 0.00884940 5.24474258 1.75591423 -0.51745206 0.04215168 0.28180822 Ni 3.46574321 3.51174318 0.01877877 0.14159749 -0.21598861 -0.70427873 Ni 5.22865628 5.21569750 0.03038403 0.19920227 0.24535040 -0.55808202 Ni 5.21264674 3.49781733 1.72539929 0.09220002 0.12586047 0.60624905 Ni 3.45715370 5.24946209 1.73244751 0.18743246 -0.42149891 0.55541088 Ni 6.99025648 3.50323083 0.00465486 -0.08881952 0.05932656 -0.28344613 Ni 8.74333760 5.26266703 0.00332521 -0.01482145 -0.19560518 0.16907052 Ni 8.72743120 3.50540640 1.78315477 0.52537166 -0.14092829 -0.32577670 Ni 7.00601295 5.24064361 1.77594090 -0.43568264 0.20727410 -0.31329170 Ni 0.01664894 6.97325398 0.00092236 0.02416768 -0.17051026 0.10262427 Ni 1.74439397 8.72347224 0.03019193 0.53467712 0.01820081 -0.18139093 Ni 1.76991165 6.99648110 1.72951751 -0.39925009 -0.36101361 0.25415967 Ni 0.03840342 8.74255298 1.73594756 -0.21226213 -0.15976639 0.35404643 Ni 3.49303743 6.95267437 0.03075405 -0.26599424 0.00591308 -0.80218218 Ni 5.21362314 8.68168917 0.02503973 0.23896715 0.16918648 -0.25978438 Ni 5.21463246 6.97633812 1.73723278 0.56813623 -0.38688475 0.22614206 Ni 3.51478300 8.71768601 1.77461951 -0.45655018 0.61594759 -0.26092207 Ni 6.99658760 6.94706686 0.00603486 -0.43692420 0.05522614 -0.20770615 Ni 8.71705365 8.69345080 0.02624346 -0.29861518 -0.11410533 0.13996963 Ni 8.73980799 7.00698204 1.74272450 0.19261967 -0.46635355 0.44590295 Ni 6.95579025 8.72846351 1.75277108 -0.01364627 0.18353449 0.06978346 Ni 0.01808490 0.02224221 3.50093085 -0.18297083 -0.00821414 -0.31503727 Ni 1.77632328 1.73844969 3.51000811 -0.29490465 0.32492104 -0.53666491 Ni 1.72346335 0.01711093 5.20266091 0.57281978 -0.48633446 0.47671406 Ni 0.01866912 1.75666929 5.22362666 -0.43860034 0.21776897 0.35656647 Ni 3.49279460 0.03226327 3.49989392 -0.13305395 -0.69204129 -0.31240587 Ni 5.21644490 1.77587205 3.50669743 0.14899109 0.03057315 -0.64744521 Ni 5.21681807 0.02358730 5.24358320 0.45151993 -0.76077226 -0.34796510 Ni 3.51796608 1.73007264 5.22048473 -0.71665729 0.35791104 0.38432793 Ni 6.92744835 0.02008726 3.45983795 0.32039469 -0.35619129 0.23171016 Ni 8.69379616 1.75265878 3.50413198 0.42200170 -0.02017837 -0.25071340 Ni 8.72769135 0.03802110 5.25691651 -0.14042645 -0.04496910 -0.29802335 Ni 6.94203857 1.77267209 5.20304966 0.34406796 -0.15721268 0.26794575 Ni 0.03371064 3.46287347 3.51814240 -0.48125021 0.16125370 -0.44251910 Ni 1.72925901 5.24312355 3.49049137 0.37300187 -0.09869225 -0.24591985 Ni 1.74070317 3.49985413 5.27436680 0.20287506 -0.20235901 -0.30700078 Ni 0.02092783 5.25510970 5.19934743 -0.65431905 -0.24517225 0.49442901 Ni 3.45133612 3.46755613 3.52162299 0.26325270 0.46565521 -0.65824825 Ni 5.21294479 5.25728228 3.48133923 0.17193257 -0.42431493 0.03293130 Ni 5.21381141 3.46548352 5.24573041 0.37523185 0.71849406 -0.28987299 Ni 3.45925019 5.22885996 5.20899202 0.50271294 0.27011276 0.45297559 Ni 7.00583847 3.51038933 3.45705650 -0.97098905 -0.23501227 0.34726200 Ni 8.70777195 5.22563045 3.50630562 0.76383025 0.43358040 -0.21632798 Ni 8.69008831 3.50059002 5.21603031 0.66153509 -0.30706785 0.29865736 Ni 6.98152872 5.22102528 5.20766601 -0.54657913 0.20480823 0.42878422 Ni 0.02463666 6.99780921 3.51050172 -0.56291966 -0.22963882 -0.45116114 Ni 1.73458978 8.69753290 3.47659582 0.56436402 0.57279205 0.17026333 Ni 1.73757472 6.94772373 5.25979642 0.40795414 0.39854243 -0.10695450 Ni 0.03912083 8.73652150 5.21075129 -0.01722346 -0.08065025 0.46603009 Ni 3.49385176 6.98869221 3.46333852 -0.34929903 -0.46698245 0.48222633 Ni 5.20637857 8.68868491 3.47102138 0.60124807 0.73578618 0.28891689 Ni 5.24513895 6.99124102 5.22104068 -0.26985337 -0.56910855 0.27288294 Ni 3.51108111 8.69980290 5.22223201 -0.30997280 0.47152474 0.15683740 Ni 6.99313190 6.99989526 3.50853172 -0.29232169 -0.34523900 -0.30911364 Ni 8.70382495 8.71234708 3.49909064 0.12284373 0.18405273 -0.05711151 Ni 8.74748111 6.96259951 5.22450084 0.20314805 -0.29309641 0.13822275 Ni 6.98712851 8.72081715 5.25899806 -0.49332260 0.50398020 -0.49013956 Ni 0.01873383 0.02493712 6.94116697 0.06294335 0.05121924 0.05606950 Ni 1.77243104 1.75745059 7.00412398 -0.20684692 -0.23741488 -0.70039520 Ni 1.74527093 0.02649708 8.74422083 0.29318656 -0.07191556 -0.29074276 Ni 0.02781591 1.76454632 8.71900466 -0.07066235 0.20365797 -0.08623365 Ni 3.51386373 0.00063437 6.93416612 -0.57822613 -0.44864853 0.36116101 Ni 5.22646333 1.72850535 6.96053273 0.19001757 0.41347793 0.28337073 Ni 5.26978012 0.00113465 8.67317566 -0.17719286 0.05535321 0.19428768 Ni 3.46335891 1.75684287 8.71121551 0.55393185 -0.19419448 0.47371359 Ni 6.97884509 0.02857450 6.94549323 0.02209357 -0.45208133 0.08659411 Ni 8.70088954 1.74753860 6.98718883 0.55095093 0.23917304 -0.34232039 Ni 8.73885911 0.02456425 8.75037272 -0.52524960 0.38839453 -0.50602292 Ni 6.98893090 1.77623662 8.70669786 -0.11305009 -0.34313787 0.54198003 Ni 0.01163513 3.51726780 6.98471927 -0.53430242 -0.32852741 -0.32501539 Ni 1.75130419 5.21767474 7.00683125 0.38553575 0.23179903 -0.54816966 Ni 1.77515621 3.48269292 8.69124258 -0.02171187 0.17208460 0.72470775 Ni 0.02781300 5.23663788 8.70203702 -0.29434734 -0.22655871 0.44122909 Ni 3.51484307 3.47294411 6.95533244 -0.18979818 0.20488443 0.21040614 Ni 5.23552949 5.19763205 7.00194550 0.04359427 0.49140065 -0.50338357 Ni 5.25057351 3.44459925 8.74657899 -0.21323919 0.27706606 0.24576297 Ni 3.50569474 5.22529966 8.71755254 0.07381462 -0.02430214 0.44728594 Ni 6.98742147 3.46782023 6.98938926 -0.49123363 0.18507768 -0.44497363 Ni 8.68444578 5.19955413 6.98107151 0.54970497 0.59727746 -0.44074366 Ni 8.72997263 3.51119105 8.69745765 0.15626049 -0.27894258 0.26433187 Ni 6.99090865 5.21703865 8.71040774 -0.44868514 0.13849462 0.46205117 Ni 0.01596954 6.95154594 7.00691467 -0.38246985 0.33422070 -0.50293918 Ni 1.78476812 8.71334543 6.98647901 -0.31500476 0.34752556 -0.19771687 Ni 1.73947582 6.93426567 8.72684455 0.46341878 0.39562557 0.47139826 Ni 0.03248081 8.72389197 8.74475222 0.42387579 -0.41961488 -0.43830483 Ni 3.47948426 7.00611433 7.00396968 0.36994698 -0.76034124 -0.36393793 Ni 5.24865380 8.68875585 7.00262506 -0.15101242 0.70416618 -0.36588011 Ni 5.26167744 6.97138755 8.73976097 -0.12435543 -0.23126825 0.31555155 Ni 3.50942611 8.74076007 8.70778272 -0.13585165 -0.13642523 0.23552654 Ni 6.95144698 7.00465477 6.95460683 0.30857358 -0.87843416 0.18865082 Ni 8.70285761 8.69058474 6.91822724 0.26997606 0.10269792 0.31178034 Ni 8.69568019 6.96761536 8.72441969 0.00151904 -0.24407958 -0.25161335 Ni 6.99744493 8.72202375 8.72474279 -0.24704410 -0.03116428 -0.13027058