108 Lattice="10.404623110561447 0.0 0.0 0.0 10.404623110561447 0.0 0.0 0.0 10.404623110561447" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.25211596646284 stress="-0.00632277367796342 0.00021531508215980413 0.00044993386729005164 0.00021531508215980413 -0.006581549046149128 -0.0006564651810826267 0.00044993386729005164 -0.0006564651810826267 -0.00618972277803332" pbc="F F F" Ni 0.00235414 0.02122219 0.00671686 0.38233791 0.36475277 0.37677447 Ni 1.70558847 1.76160513 0.00336546 0.46709712 -0.30026301 -0.31310124 Ni 1.73716378 0.00970472 1.75165867 -0.09709094 -0.29244252 -0.12976753 Ni 0.03087925 1.74996647 1.72092036 -0.47300941 -0.26281798 0.28522871 Ni 3.47363451 0.00790020 0.00719629 -0.05924800 0.19557915 0.17724409 Ni 5.21405906 1.75358085 0.03248065 -0.15177234 -0.09028230 -0.21436720 Ni 5.21654211 0.01194785 1.76489711 -0.06150928 -0.29044423 -0.26666775 Ni 3.43612953 1.71876777 1.76841774 0.21400996 0.38363291 -0.26017027 Ni 6.92985211 0.05330645 0.01040456 -0.24779491 -0.19761877 0.04517589 Ni 8.60892027 1.71339626 0.02757049 0.22838247 0.18549624 -0.14181976 Ni 8.64031693 0.01264915 1.76133816 0.03274320 0.03293528 0.10611308 Ni 6.96174570 1.71133423 1.73498348 -0.38376864 0.39449819 0.25522086 Ni 0.01258453 3.40954493 0.02840941 -0.23075944 0.25395873 -0.26003428 Ni 1.72872840 5.19093041 0.03342718 0.04125037 0.05012359 -0.50434747 Ni 1.71696683 3.47399625 1.70567104 0.44483080 -0.05041734 0.41244745 Ni 0.01073078 5.18134690 1.69990895 -0.33174029 0.14712642 0.34740420 Ni 3.48832201 3.47484533 0.01022015 -0.09416392 -0.11763340 -0.32474346 Ni 5.22161241 5.22793255 0.01379669 0.05781280 0.00248241 -0.33176296 Ni 5.19879851 3.49878710 1.75039709 0.24432135 -0.28694505 0.16897514 Ni 3.49770907 5.20139590 1.71263664 -0.24745427 0.14067845 0.30824539 Ni 6.91486091 3.45296816 0.02592470 0.07311515 0.22098178 -0.30724770 Ni 8.66572719 5.23373887 0.00992096 -0.19108975 -0.05394827 0.05772209 Ni 8.66709899 3.44578587 1.70008450 0.26421882 0.10769988 0.17740134 Ni 6.94801962 5.23554591 1.76453680 -0.23308264 -0.36562033 -0.21665159 Ni 0.02158400 6.95019496 0.05773060 0.07710723 -0.21363131 -0.17202422 Ni 1.72263852 8.69436963 0.01244302 0.34273171 -0.15576503 0.14853162 Ni 1.76812412 6.96803153 1.71954745 -0.18255004 -0.32820895 0.25850003 Ni 0.01456084 8.64045106 1.70149941 0.02482477 0.03242884 0.45469229 Ni 3.44592454 6.91493435 0.00656429 0.13806262 0.19785727 -0.28683820 Ni 5.18886794 8.65535711 0.02974015 -0.06118958 -0.01328020 -0.17492788 Ni 5.22943561 6.95800798 1.77509113 -0.20028432 -0.22754759 -0.12895272 Ni 3.51432319 8.66739439 1.75640187 -0.19199496 0.32801801 -0.04948137 Ni 6.91510386 6.95977424 0.01730594 0.06196929 -0.12535554 -0.36005593 Ni 8.66808007 8.64056489 0.03104750 -0.29024055 -0.24834282 0.21260350 Ni 8.64186449 6.94300004 1.71419436 0.33843639 0.03546192 0.24866148 Ni 6.90670419 8.69883263 1.70290172 0.18182898 0.18458690 0.39996576 Ni 0.00493861 0.00198539 3.48443464 0.08683728 0.18331898 -0.03638444 Ni 1.70379174 1.75894764 3.46250292 0.29202208 -0.09018378 0.06762043 Ni 1.73638591 0.03437482 5.22826750 -0.03272743 -0.41708400 -0.23959341 Ni 0.00740393 1.78561952 5.20008460 -0.27712532 -0.22911037 0.17695067 Ni 3.48571921 0.02054597 3.43815808 -0.20483023 -0.44325086 0.25164880 Ni 5.22875290 1.73914450 3.47978394 -0.13235876 0.14833359 -0.20764331 Ni 5.19490689 0.01890218 5.20564257 -0.02204263 -0.37167935 0.12548272 Ni 3.44871998 1.72151187 5.16929446 0.14062281 0.23961354 0.23672564 Ni 6.91829543 0.01777799 3.45285537 0.18230998 -0.32266669 0.37632060 Ni 8.64590138 1.76151115 3.49892408 0.41281810 -0.22841452 -0.08344137 Ni 8.69512983 0.00020810 5.21804139 -0.23104147 0.22361154 -0.07853137 Ni 6.90808532 1.75716042 5.23698261 0.37393479 -0.32057891 -0.25767728 Ni 0.01294155 3.44795528 3.47639135 -0.44989092 0.26636509 -0.21298338 Ni 1.74413264 5.17263194 3.46674672 -0.06441535 0.25948291 -0.21126636 Ni 1.73313709 3.49193304 5.21175487 0.21585392 -0.32865086 0.10235310 Ni 0.02609074 5.17210503 5.22607238 -0.53541730 0.23044950 -0.12204490 Ni 3.48857222 3.49307017 3.48575343 -0.25140180 -0.22415192 -0.18769976 Ni 5.18347300 5.23239605 3.49942837 0.21152654 -0.29093968 -0.33700398 Ni 5.20062930 3.45880210 5.19663152 -0.01719571 0.25552470 0.12262097 Ni 3.45106956 5.23594047 5.20426053 0.06147901 -0.06378784 0.11274442 Ni 6.96996547 3.44259728 3.49524595 -0.47037275 0.27635501 -0.29932612 Ni 8.64039770 5.17089666 3.44236136 0.59500597 0.24706306 0.14653151 Ni 8.68698393 3.48393847 5.20376017 0.28436165 -0.12318751 0.14636721 Ni 6.91960595 5.22926751 5.18666176 0.28464041 -0.29643469 0.38519014 Ni 0.01571772 6.90462254 3.47350054 -0.22654927 0.06785202 -0.23159792 Ni 1.74342941 8.68202675 3.44566555 -0.05534807 0.30121333 -0.01065762 Ni 1.71039350 6.97062329 5.18886477 0.10525343 -0.16146551 0.15549221 Ni 0.00940950 8.68743172 5.17499869 0.07879774 -0.10934834 0.13085411 Ni 3.43810791 6.92993188 3.46953914 0.16750759 0.10885411 0.04184749 Ni 5.23838681 8.65095530 3.50889891 -0.24382355 0.34284981 -0.18890974 Ni 5.23652710 6.90350946 5.18445060 -0.31065204 0.48891235 0.42467159 Ni 3.45688478 8.67347836 5.23471512 0.09075565 0.26086051 -0.18211106 Ni 6.95652841 6.91405140 3.48126744 0.00498335 0.28733496 -0.12768763 Ni 8.63666080 8.62768314 3.49424696 0.01236089 0.12679023 -0.24062703 Ni 8.68826286 6.96163797 5.22751282 0.17136146 -0.40484108 -0.11265225 Ni 6.91074732 8.68410173 5.18557377 0.18117358 0.20299740 0.38251049 Ni 0.00025561 0.05298388 6.93276355 0.06276000 -0.00259216 -0.21105138 Ni 1.75982588 1.71127253 6.94732568 -0.11222774 0.59425976 -0.02826295 Ni 1.71823923 0.00940519 8.66443351 0.20792654 0.08080097 -0.03068398 Ni 0.02501909 1.70210043 8.66315294 0.01919684 0.30397287 -0.02587804 Ni 3.43564988 0.03367776 6.97077189 0.27576189 -0.37610149 -0.13835066 Ni 5.21844108 1.73445048 6.94547857 -0.30252044 0.02303908 -0.18240550 Ni 5.21825699 0.05415189 8.64014174 0.03386464 -0.10990506 0.07279283 Ni 3.47723043 1.77034867 8.70171714 -0.16378091 -0.12838308 0.16872163 Ni 6.96510089 0.02802562 6.92180036 -0.13625886 -0.37972397 0.09244000 Ni 8.64383335 1.73870162 6.96226000 0.46656908 0.02775037 -0.34001905 Ni 8.68275074 0.03385589 8.66479317 -0.37254975 0.32276031 -0.31546005 Ni 6.94411058 1.75556723 8.67874686 -0.06570658 -0.08160495 0.28661176 Ni 0.00296584 3.46346928 6.95911360 -0.19676148 -0.13860811 0.02586137 Ni 1.70481166 5.22808982 6.90673355 0.45896902 -0.08776040 0.49894503 Ni 1.72699481 3.44520200 8.70392255 0.11732980 0.14907573 -0.02683905 Ni 0.01090772 5.19044415 8.67758911 0.10892663 0.11131966 -0.07484179 Ni 3.49831241 3.49835988 6.90965054 -0.40982111 -0.27028300 0.13682960 Ni 5.18999470 5.23064662 6.96723596 0.25535891 -0.15336644 -0.37282620 Ni 5.19570387 3.43510220 8.64590812 0.18136482 0.13078211 0.39189374 Ni 3.48821194 5.16973643 8.69986735 -0.23585119 0.10950619 0.12602271 Ni 6.93823417 3.44476852 6.90898286 -0.10802307 0.41889373 0.15499849 Ni 8.69785154 5.17157356 6.92542178 0.02005178 0.25886628 0.09666206 Ni 8.66365833 3.43722184 8.64617606 -0.00054007 0.15882049 0.06776757 Ni 6.90714658 5.17681294 8.66830881 0.16493754 0.11168782 0.16700710 Ni 0.01402441 6.94651152 6.96191309 -0.27061346 0.06947969 -0.06708708 Ni 1.71708279 8.68113053 6.96387504 0.07273563 0.12889719 -0.03285688 Ni 1.77684514 6.91521580 8.69827756 -0.14088760 0.08415195 0.07635562 Ni 0.00878996 8.69254500 8.68946479 0.45638618 -0.49525759 -0.36489637 Ni 3.48251507 6.95687073 6.92001819 -0.26877670 -0.14695054 0.13329051 Ni 5.20266289 8.69934880 6.96114665 0.12913433 0.11979523 -0.20476197 Ni 5.17153736 6.94653623 8.65428934 0.28980462 0.02794582 0.40328191 Ni 3.47496865 8.67074289 8.68165205 -0.13093765 -0.00559956 -0.09381142 Ni 6.96658132 6.96997348 6.94911151 -0.24076075 -0.24470585 -0.04585061 Ni 8.70072240 8.65013841 6.90549099 -0.23758309 -0.00973988 0.08732711 Ni 8.65588451 6.91994128 8.67606841 -0.14724056 -0.11255229 -0.22428614 Ni 6.95143974 8.67837594 8.67953163 -0.09498856 -0.21841169 -0.22267888