108 Lattice="10.428451873913327 0.0 0.0 0.0 10.428451873913327 0.0 0.0 0.0 10.428451873913327" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.33944229211187 stress="-0.010611545091668402 -3.9069353594856284e-05 -0.0013169309602007965 -3.9069353594856284e-05 -0.010303158337282771 0.0005982611778556238 -0.0013169309602007965 0.0005982611778556238 -0.010697659776840793" free_energy=-413.33944229211187 pbc="F F F" Ni 0.02286899 0.01965835 0.01260996 0.33072588 0.32583435 0.38085784 Ni 1.72416343 1.71692940 0.03041038 0.33081435 0.09549812 -0.75401232 Ni 1.75893295 0.02486625 1.71821644 -0.45554821 -0.70249901 0.09179623 Ni 0.00323113 1.73484763 1.72602085 -0.61360704 -0.19550816 0.14998172 Ni 3.50703006 0.00983500 0.01694331 -0.07336259 0.17263471 0.02804753 Ni 5.23278789 1.76196855 0.02684629 -0.13227147 -0.29078369 -0.53841612 Ni 5.24084654 0.00281013 1.70913986 -0.44739513 -0.43573148 0.26242356 Ni 3.45655490 1.72217334 1.77034099 0.32218620 0.22444978 -0.54424364 Ni 6.96507144 0.01041344 0.05332099 0.00522151 0.18210389 -0.27859979 Ni 8.70340823 1.76697954 0.00689395 -0.36835960 -0.21421400 0.16377228 Ni 8.65859031 0.00035810 1.71315047 0.12295721 0.24754051 0.27489931 Ni 6.95810432 1.71149079 1.77265014 0.10707763 0.70910228 -0.31930341 Ni 0.03418755 3.46473478 0.03652984 -0.21885243 0.10493722 -0.18493738 Ni 1.75168748 5.19709010 0.00827376 -0.17117484 0.30529981 -0.43069070 Ni 1.72357956 3.45108789 1.71072432 0.42820337 0.37139736 0.32703779 Ni 0.03197379 5.22769060 1.75788232 -0.63770473 -0.05176445 -0.36005801 Ni 3.48809851 3.50582535 0.00977323 -0.34428711 -0.52592688 -0.42306898 Ni 5.18029337 5.20535226 0.01423340 0.34517317 0.47539378 -0.29578502 Ni 5.18742592 3.45470081 1.70345218 0.48134388 0.26163064 0.81866836 Ni 3.45208097 5.23708317 1.74563427 0.35536867 -0.11956961 -0.16409815 Ni 6.94708284 3.48617683 0.00310607 0.19042626 0.01723619 -0.26862686 Ni 8.70205462 5.24665097 0.01659208 -0.04544959 -0.18239564 0.10225823 Ni 8.69654629 3.45186146 1.70705503 0.23346376 0.26238987 0.31771634 Ni 6.97147047 5.23219033 1.72597990 -0.19473079 -0.36945492 0.19432865 Ni 0.02837832 6.97504494 0.01130349 0.20953053 -0.07900188 0.25755940 Ni 1.76977387 8.67099418 0.03361961 -0.24214567 0.01355970 0.15132173 Ni 1.71327670 6.92940583 1.76076657 0.47256101 0.72053669 -0.32555949 Ni 0.03348490 8.70104713 1.76472931 0.17769396 -0.13434371 -0.15951749 Ni 3.45678263 6.98243448 0.00701847 0.16618646 -0.28737505 -0.20695646 Ni 5.22888040 8.66250471 0.03540653 -0.01943180 0.02663229 -0.13676496 Ni 5.23451629 6.97708035 1.75466537 -0.04293196 -0.40572483 -0.20676224 Ni 3.48701042 8.69948406 1.74609902 -0.16763054 0.22185663 0.16668662 Ni 6.99284686 6.95416081 0.00993353 -0.22552641 0.04591817 -0.41822612 Ni 8.68681698 8.69605711 0.00829858 -0.38352403 -0.46870431 0.42266176 Ni 8.70582249 6.97444941 1.74717411 0.39423945 0.09482463 -0.15140914 Ni 6.97108361 8.70254163 1.70660323 0.11632955 0.26940020 0.34818993 Ni 0.02339471 0.04214373 3.51056920 0.09069567 -0.23439616 -0.35970005 Ni 1.71461422 1.76599290 3.44930590 0.28190283 -0.03641220 0.35123410 Ni 1.77194910 0.01726911 5.21740158 -0.28769076 -0.36594797 0.03570106 Ni 0.02773012 1.72270134 5.18164261 -0.40523587 0.50408698 0.41025517 Ni 3.42983749 0.00448794 3.45700334 0.40590340 -0.58927092 0.09289413 Ni 5.18340885 1.70594936 3.48176959 0.29870333 0.53482100 -0.28729675 Ni 5.24098822 0.02804618 5.21902271 -0.17903149 -0.60808935 -0.05195268 Ni 3.48614568 1.72010894 5.18512158 -0.22606613 0.47932943 0.35556216 Ni 6.92860909 0.03017193 3.44688600 0.40981668 -0.73638961 0.28194340 Ni 8.71479591 1.74887638 3.50762834 0.46407048 -0.38514694 -0.59216088 Ni 8.69507652 0.00116783 5.19827425 -0.30222001 0.07333241 0.11885713 Ni 6.98280094 1.72589033 5.18022830 -0.42109024 0.02228074 0.52200024 Ni 0.02017743 3.50906203 3.45022483 -0.33591368 -0.17007626 0.26963905 Ni 1.76951664 5.24291110 3.44580552 -0.18000907 -0.43260817 0.52052050 Ni 1.77134692 3.49665225 5.23778934 -0.31426752 -0.32582176 -0.53630190 Ni 0.02733388 5.24070248 5.18601062 -0.51812338 -0.31120566 -0.00830713 Ni 3.47166581 3.47698186 3.44396844 -0.03684366 -0.07290105 0.17570092 Ni 5.19960124 5.20902844 3.46484237 0.43264327 -0.23087849 -0.11697511 Ni 5.21780139 3.45225125 5.20777841 0.26440161 0.18099619 0.16684176 Ni 3.48239678 5.18185951 5.18622713 0.05128237 0.48403046 0.41832462 Ni 6.98000972 3.46825760 3.49000152 -0.56253529 0.26114005 -0.55715775 Ni 8.72227422 5.24287143 3.47665700 0.37967840 -0.50466772 -0.31276598 Ni 8.67046130 3.44724641 5.18121616 0.62352043 0.47961634 0.46756560 Ni 6.98323099 5.24604476 5.20232084 -0.70230192 -0.61586352 0.21132327 Ni 0.01836794 6.97620862 3.45985289 -0.50092790 0.01374953 0.28097845 Ni 1.73939502 8.70844764 3.50719917 0.32680133 0.10183184 -0.14662120 Ni 1.72183657 6.93529237 5.24481560 0.62643948 0.24680300 -0.34185429 Ni 0.03395785 8.70581656 5.20298326 0.04141878 -0.22736892 0.24083746 Ni 3.50421189 6.94275202 3.47401979 -0.46575790 0.33997744 0.13837954 Ni 5.22706781 8.67165727 3.48263783 0.20142402 0.52094828 -0.05833445 Ni 5.21666971 6.94991491 5.19191387 0.03676453 -0.17347996 0.40936178 Ni 3.50353984 8.69517394 5.23574766 -0.33327957 0.16082523 -0.14414409 Ni 6.98069466 6.91876827 3.47824262 -0.29168176 0.48722452 -0.27419731 Ni 8.69166544 8.68053769 3.47671228 -0.15226531 -0.12545381 -0.02773775 Ni 8.69635730 6.91775380 5.19897503 0.49428428 0.57704724 0.37620770 Ni 6.98024604 8.66196379 5.21094888 -0.06831183 0.25301066 0.13404462 Ni 0.02666013 0.00118474 6.92193750 0.24802721 0.35992852 0.18428962 Ni 1.71235990 1.77803564 6.96276474 0.28794757 -0.45528863 -0.17019992 Ni 1.76443222 0.02353710 8.65922336 -0.18366032 0.21050626 -0.20286654 Ni 0.00909320 1.76203625 8.71291384 0.20560386 -0.24591756 -0.35994386 Ni 3.47671023 0.01870863 6.92760726 0.13127645 -0.18726955 0.40185561 Ni 5.24344442 1.71699893 6.97958803 -0.43432606 0.30724555 -0.37273293 Ni 5.21158717 0.00954477 8.72307980 -0.22368935 0.13716608 -0.18346161 Ni 3.45621408 1.76602990 8.71680407 0.12658642 -0.23723063 0.10345180 Ni 6.92950120 0.01838566 6.98505096 0.50472514 -0.60189824 -0.22947562 Ni 8.69857872 1.73478848 6.93684981 0.28158468 -0.23277572 0.16490205 Ni 8.66676165 0.02612978 8.71206831 -0.40522815 0.44959258 -0.53920505 Ni 6.95117813 1.70614117 8.67843591 0.20570697 0.26710979 0.66248528 Ni 0.01160019 3.50021732 6.97100470 -0.75911408 -0.33342159 -0.51730287 Ni 1.72090271 5.18596987 6.94493428 0.62080307 0.44055484 0.04092156 Ni 1.71102613 3.48073414 8.66626989 0.44327314 -0.03043213 0.70481584 Ni 0.03140925 5.18728622 8.67085237 -0.24975783 0.28576941 0.26311209 Ni 3.49464903 3.47514150 6.95368113 -0.06216303 -0.14047025 -0.06916766 Ni 5.19470519 5.23449039 6.97503383 0.32918033 -0.32767742 -0.43062307 Ni 5.21000432 3.46745624 8.66357756 0.13383654 0.08649371 0.57425025 Ni 3.46512865 5.22908093 8.69997823 -0.10419796 -0.18034626 0.36603247 Ni 6.97642878 3.46727471 6.97667415 -0.32391770 0.12751256 -0.44437594 Ni 8.66844033 5.21441517 6.93280126 0.47911595 -0.12774244 0.33329933 Ni 8.68387872 3.44674356 8.69133766 -0.09301869 0.04131974 -0.13559065 Ni 6.96363331 5.20472285 8.72223932 -0.06421250 0.06711846 0.21467607 Ni 0.00982386 6.92457029 6.95108481 -0.53017050 0.48813446 0.20461733 Ni 1.75212177 8.66135118 6.97519199 -0.22116582 0.53010183 0.03274929 Ni 1.71547780 6.95440801 8.67689038 0.02102695 0.06366241 0.48941603 Ni 0.02401319 8.70698754 8.72451100 0.56966249 -0.65268016 -0.70158908 Ni 3.48420819 6.95440889 6.98644155 -0.18775529 -0.18376714 -0.64218844 Ni 5.21211325 8.71198785 6.93906392 0.29883905 0.20649612 0.16896810 Ni 5.18793453 6.98404550 8.68231591 0.54434910 -0.16296766 0.60581712 Ni 3.50939671 8.66118217 8.70836555 -0.32969034 0.14259461 -0.08279025 Ni 6.92345665 6.92960307 6.98759486 0.24420915 0.41475972 -0.21120679 Ni 8.67116234 8.67139733 6.97665533 -0.20461084 -0.25225665 -0.21463687 Ni 8.68523314 6.96550402 8.66936038 -0.22959868 -0.12150321 -0.11333982 Ni 6.97628635 8.71998948 8.70157141 -0.22124345 -0.41267350 -0.34879918