108 Lattice="10.428450486781628 0.0 0.0 0.0 10.428450486781628 0.0 0.0 0.0 10.428450486781628" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.3316105668478 stress="-0.009667093058889705 0.0014861894901662088 0.0008905992254237771 0.0014861894901662088 -0.00889158444396973 0.00037927140659234533 0.0008905992254237771 0.00037927140659234533 -0.009547405559180287" free_energy=-413.3316105668478 pbc="F F F" Ni 0.01402148 0.01380266 0.01493499 0.52262490 0.50714927 0.45813223 Ni 1.74450142 1.76202501 0.03384104 -0.09677992 -0.22563291 -0.86777312 Ni 1.77031685 0.03114444 1.70600626 -0.54673583 -0.64164548 0.29932886 Ni 0.02787727 1.76062546 1.70393890 -0.72068920 -0.52992098 0.25061765 Ni 3.45879734 0.00524539 0.02658986 0.10787509 -0.08886294 -0.22532509 Ni 5.19427179 1.70958246 0.00780493 0.10787112 0.15763144 -0.43461199 Ni 5.18931330 0.00672861 1.76278615 0.24043124 -0.37598227 -0.26983986 Ni 3.46802279 1.73591804 1.70418433 0.21085844 0.37679527 0.62155002 Ni 6.97686518 0.02170012 0.06171458 -0.11436423 0.03808016 -0.06852964 Ni 8.70161319 1.76837512 0.01585818 -0.21566740 -0.05093337 0.22777926 Ni 8.69066667 0.00075459 1.73667729 -0.13352335 0.31866793 0.16503202 Ni 6.95893578 1.73773416 1.71729596 -0.11389440 0.01247457 0.46887230 Ni 0.01869860 3.44852787 0.01627379 -0.01459752 0.24553673 -0.14271190 Ni 1.70456113 5.23668178 0.02192362 0.23568739 -0.44587662 -0.80610416 Ni 1.71846253 3.47426729 1.77261423 0.44679730 0.14900941 -0.24881644 Ni 0.02662163 5.18968131 1.73083170 -0.85042578 0.13126469 0.22350909 Ni 3.44506254 3.49187772 0.02456834 0.20872788 -0.01905759 -0.55863652 Ni 5.24892828 5.20571512 0.02402287 -0.38247844 0.22762430 -0.71263179 Ni 5.23235244 3.48201752 1.71727510 -0.29750643 -0.36611722 0.33647897 Ni 3.44603438 5.20242935 1.70606767 0.31442170 0.33989504 0.45483639 Ni 6.92696634 3.47222988 0.01408364 0.33076935 -0.16091013 -0.57752479 Ni 8.68014069 5.18215025 0.00519925 -0.24617581 0.15349029 0.23963996 Ni 8.65888182 3.48753722 1.75507222 0.53578718 -0.20264041 -0.27947765 Ni 6.92349003 5.21317984 1.74355327 0.57623730 0.17569350 0.09972345 Ni 0.01202348 6.92188040 0.01107306 -0.04378435 0.26677074 0.04290687 Ni 1.76444612 8.67257687 0.06203498 -0.34865126 -0.03161436 -0.20793725 Ni 1.72477890 6.91565089 1.70983770 0.15315713 0.46471263 0.57553013 Ni 0.01755430 8.63727015 1.75040821 -0.00854734 -0.01387324 -0.14099206 Ni 3.47055960 6.96035710 0.00502820 0.16511257 -0.24102474 -0.44068437 Ni 5.21742147 8.65894328 0.01074089 -0.01950181 0.06163610 -0.03352009 Ni 5.24867223 6.93854631 1.71226970 -0.67772122 0.17618908 0.52645361 Ni 3.46261989 8.68617180 1.71703460 0.32798253 0.22759564 0.43567632 Ni 6.97799673 6.97693796 0.03441295 0.09419573 -0.14376475 -0.67432420 Ni 8.67975521 8.68908900 0.02123071 -0.46789647 -0.35441147 0.50491746 Ni 8.67389114 6.97212317 1.72891775 0.36130036 -0.08308116 0.12683319 Ni 6.91892020 8.70522433 1.75086634 0.45149465 0.43112979 -0.13408635 Ni 0.01404816 0.01202091 3.46617488 0.18674639 0.21381360 -0.09965086 Ni 1.71667489 1.74125061 3.46161846 0.62621536 -0.17198882 0.19065131 Ni 1.71097830 0.02810025 5.24766298 0.21166516 -0.61880704 -0.42432941 Ni 0.02322273 1.76178260 5.21565440 -0.63046273 -0.31449627 -0.08881366 Ni 3.48563572 0.00426539 3.45256473 -0.37223891 -0.30617258 0.36364580 Ni 5.18979238 1.73613287 3.49566915 0.12206976 0.49925008 -0.33127517 Ni 5.22903309 0.03326362 5.21404875 -0.46787381 -0.68739132 0.17795847 Ni 3.44794959 1.71170642 5.24367949 0.27921575 0.48988823 -0.36134510 Ni 6.92875354 0.01127220 3.46894342 0.31390821 -0.43858873 -0.13871088 Ni 8.68422176 1.73334607 3.49200459 0.28356832 0.07775237 -0.11183598 Ni 8.70736705 0.00153694 5.19562302 -0.28822982 0.25669218 0.14003829 Ni 6.92881653 1.71219294 5.18980191 0.55191174 0.62372576 0.27574584 Ni 0.02539166 3.44497169 3.47166982 -0.73288635 0.24345943 0.02362871 Ni 1.70682077 5.24429722 3.47320053 0.63588251 -0.33744885 0.02724805 Ni 1.73539335 3.48693904 5.21610588 0.50138593 -0.12629237 -0.36252919 Ni 0.01774747 5.18480989 5.18993359 -0.56813526 0.24701597 0.23231391 Ni 3.50412191 3.49607079 3.44333387 -0.43226734 -0.32249226 0.50486880 Ni 5.18243066 5.21134437 3.45132278 0.26740941 0.20435890 0.15287499 Ni 5.24852102 3.49889602 5.24681963 -0.31875247 -0.45846864 -0.61965304 Ni 3.48978115 5.22254170 5.22584038 -0.33649616 -0.14529226 -0.38740317 Ni 6.96456160 3.49712835 3.46736282 -0.39364466 -0.29464826 0.34656723 Ni 8.69894799 5.18982196 3.45066269 0.20947172 0.52317199 0.32178113 Ni 8.70249623 3.50919290 5.24465212 0.04641277 -0.37585608 -0.34063667 Ni 6.92934888 5.23887879 5.23236792 0.37358303 -0.11813300 -0.21156364 Ni 0.00051505 6.97244208 3.49722738 -0.44269541 -0.19371883 -0.06307843 Ni 1.71689358 8.67725551 3.47013402 0.18314508 0.42951328 0.03502745 Ni 1.76650904 6.94119242 5.20209678 -0.37703010 0.15159778 0.37791143 Ni 0.01363676 8.69065514 5.23580954 0.17848684 -0.16640005 0.04413597 Ni 3.45254396 6.97942976 3.48610529 0.32860667 -0.36795818 -0.58437244 Ni 5.23997680 8.68992619 3.48398784 -0.33834112 0.31519454 -0.11766490 Ni 5.19944392 6.93296592 5.19371134 0.17280254 0.15022199 0.24562329 Ni 3.50352538 8.67646727 5.22167840 -0.19726744 0.57740832 -0.21352841 Ni 6.95224174 6.97222985 3.48771199 0.20771515 -0.28322349 -0.09938468 Ni 8.69917014 8.71827918 3.45450713 -0.36138106 -0.30531887 0.11368540 Ni 8.68103145 6.97633575 5.23338251 0.35781417 -0.18486278 -0.22430045 Ni 6.94403197 8.68850177 5.24032116 0.13547278 0.42802081 -0.19106554 Ni 0.01140487 0.00720169 6.93600510 0.09097884 0.22892607 0.25147508 Ni 1.72496666 1.73852031 6.95096688 0.09349261 0.13311952 0.37354342 Ni 1.75613492 0.00475830 8.68910708 -0.28144813 0.26476187 -0.15502999 Ni 0.00140083 1.74125085 8.67951325 0.30025494 -0.09224418 -0.19750527 Ni 3.45048658 0.00454543 6.99183772 0.30388923 -0.41240938 -0.30055895 Ni 5.22647825 1.75890847 6.96232570 -0.15943201 -0.23429214 -0.06124848 Ni 5.21488056 0.00247213 8.67290615 0.06323514 0.21803490 -0.15709510 Ni 3.46183023 1.75400380 8.66180158 0.17553484 0.12049125 0.45839745 Ni 6.95230853 0.00645923 6.92069957 0.25617770 -0.30491776 0.36673457 Ni 8.66797260 1.76856423 6.97600883 0.43759229 -0.43472347 -0.27668872 Ni 8.67149500 0.03093214 8.69493802 -0.46651453 0.42804586 -0.54754808 Ni 6.96699765 1.72931311 8.69519943 -0.17072432 -0.13121288 0.42277587 Ni 0.02353786 3.44300555 6.93840096 -0.58481188 0.34216686 0.34537286 Ni 1.72291332 5.18652692 6.95022318 0.19087374 0.34635054 0.11013613 Ni 1.73053843 3.49543293 8.71412104 0.06376768 -0.23660782 0.16635822 Ni 0.01529357 5.19519750 8.71862776 0.09886032 0.10168599 -0.32933891 Ni 3.47686220 3.49229945 6.92308854 -0.22131929 -0.27395960 0.36882031 Ni 5.19144026 5.18138227 6.93264080 0.30259045 0.80445157 0.41604807 Ni 5.24579819 3.50949728 8.65678084 -0.43791973 -0.36247948 0.68262434 Ni 3.46660730 5.22507253 8.70753491 0.09193727 -0.11685105 0.12573543 Ni 6.95942644 3.46648915 6.97982653 0.17873161 0.14350389 -0.38374422 Ni 8.71307489 5.18191546 6.94763663 0.05678216 0.51359398 0.43451255 Ni 8.69026356 3.45502897 8.71574541 -0.14578247 0.14403984 -0.10698206 Ni 6.94633205 5.20308254 8.69380807 0.33650511 0.50516607 0.12766183 Ni 0.02585778 6.94171128 6.94794831 -0.19942094 0.13220988 0.13052182 Ni 1.77122535 8.72344912 6.93180413 -0.31452064 0.04866553 0.28876219 Ni 1.74668418 6.93715522 8.69476910 -0.16531947 0.37542267 0.12509111 Ni 0.02107449 8.69220367 8.66342828 0.62510063 -0.58690517 -0.60808493 Ni 3.47326892 6.96401813 6.94490206 -0.08631622 -0.23508729 0.21248856 Ni 5.19799699 8.69643342 6.94955703 0.16715199 0.35454910 0.14263522 Ni 5.18938085 6.97250051 8.67772644 0.14741386 -0.18773813 0.29245363 Ni 3.47871035 8.71752395 8.68433579 -0.13771602 -0.24033264 -0.15595384 Ni 6.94320565 6.98016568 6.95475713 0.22791445 -0.34590897 0.33088613 Ni 8.71502165 8.71175718 6.92558777 -0.40761370 -0.34996734 0.30883845 Ni 8.72195958 6.98393001 8.70945475 -0.52724396 -0.15741756 -0.64267357 Ni 6.95588086 8.66504477 8.70686280 0.08914070 -0.20165405 -0.39627607