108 Lattice="10.410894815528026 0.0 0.0 0.0 10.410894815528026 0.0 0.0 0.0 10.410894815528026" Properties=species:S:1:pos:R:3:forces:R:3 energy=-397.33704411812977 stress="-0.012880702018860728 0.0021238005131436416 -0.0009486245220796041 0.0021238005131436416 -0.012093053878376357 -0.00021692108497072137 -0.0009486245220796041 -0.00021692108497072137 -0.012183572799264365" free_energy=-397.33704411812977 pbc="F F F" Ni 0.00296481 0.02988689 0.03550952 0.05718953 -0.24405793 -0.13971207 Ni 1.73104383 1.70089606 0.00979744 0.24490640 0.88316960 -0.17796636 Ni 1.70951570 0.01644842 1.76860970 0.47887524 -0.65236262 -0.04799651 Ni 0.00433328 1.71098792 1.71295971 -0.39266206 0.88346039 0.75108803 Ni 3.42858336 0.03036993 0.04725709 0.19127649 -0.33760694 -0.08038277 Ni 5.22337234 1.70806945 0.02277577 -0.36407654 0.65534746 -0.40340429 Ni 5.23645136 0.02335236 1.71826737 -0.39647637 -0.39242012 0.63062074 Ni 3.47184222 1.75872362 1.76892729 0.02397185 0.03278276 -0.29591665 Ni 6.97451733 0.02019326 0.03118136 -0.43914371 -0.37811405 -0.50540114 Ni 8.66501779 1.73731982 0.03410121 0.51511549 0.24217736 -0.64917170 Ni 8.68064696 0.00739169 1.70665473 0.20328720 -0.21369674 0.71411979 Ni 6.96025301 1.74194294 1.71386748 -0.58277996 0.14219667 0.88838766 Ni 0.01589885 3.46508317 0.02563395 0.12063907 -0.12947519 -0.15151030 Ni 1.75655148 5.23053304 0.00161296 -0.11101898 0.02550184 -0.27502123 Ni 1.74997372 3.49134505 1.76307793 -0.09208164 -0.47333701 -0.19062947 Ni 0.03140954 5.18422911 1.74214484 -0.29059302 0.41511976 0.16994849 Ni 3.43788258 3.49757398 0.01010679 0.20268252 -0.59308321 -0.24955869 Ni 5.20106848 5.19008640 0.03275068 0.08424463 0.22298302 -0.46896980 Ni 5.19989070 3.50663655 1.74884784 0.04382012 -0.61203293 0.04006424 Ni 3.45974511 5.21029640 1.73885835 -0.14364715 0.31584448 0.08999414 Ni 6.94265832 3.44098675 0.00064602 -0.37814750 0.28507851 -0.44396533 Ni 8.68631443 5.19231387 0.03298052 -0.03423915 0.26225380 -0.29581177 Ni 8.65067656 3.44787163 1.70599602 0.56748258 0.15772379 0.96093806 Ni 6.96640166 5.18041031 1.73507945 -0.27965471 0.31299652 0.22417104 Ni 0.01132448 6.94033315 0.01104698 -0.31793349 -0.35405429 -0.16638947 Ni 1.72362108 8.66248222 0.00030929 0.40569122 0.27524912 -0.18936315 Ni 1.70814091 6.97267939 1.70739262 0.77752635 -0.56787420 0.78028314 Ni 0.02385405 8.66876158 1.74364869 -0.33858155 0.26439639 0.28344466 Ni 3.47850122 6.96227095 0.01398375 0.12947611 -0.23984913 -0.15943956 Ni 5.23517461 8.67051602 0.02299071 -0.14617423 0.19413257 -0.22639706 Ni 5.23494795 6.91746439 1.76145723 -0.38689826 0.16094778 -0.25552774 Ni 3.49548026 8.70486198 1.72750049 -0.20215816 -0.03155443 0.33318931 Ni 6.90228841 6.94447921 0.00651873 0.38106995 -0.44083505 -0.26261139 Ni 8.65852110 8.67502346 0.00800030 -0.45437535 -0.23614545 0.27716557 Ni 8.66980104 6.95413051 1.71745459 0.05297639 -0.15486815 0.42199910 Ni 6.91033644 8.67020473 1.74091326 0.35803128 0.26043443 0.33594141 Ni 0.01821964 0.03573770 3.49505136 -0.39755653 -0.19579631 -0.08813059 Ni 1.74429569 1.71407343 3.44068012 -0.15012187 0.84240270 0.57296171 Ni 1.72671166 0.00755510 5.21336731 0.15893171 -0.31513750 0.11212934 Ni 0.02047279 1.76342421 5.22689787 -0.13973252 -0.01190151 -0.06361215 Ni 3.44127585 0.02111692 3.50094530 0.37669582 -0.56605445 -0.49355829 Ni 5.17860986 1.75685839 3.49437178 0.27017112 -0.08223464 -0.49371876 Ni 5.22396421 0.02205321 5.18296485 -0.26369858 -0.64314470 0.43819169 Ni 3.46736631 1.70813201 5.22149581 -0.07574203 0.54019428 0.07285362 Ni 6.92969922 0.01227491 3.45946771 0.01756825 -0.23270128 -0.18353654 Ni 8.67292017 1.70334350 3.47255057 0.15841917 0.62705153 -0.03827183 Ni 8.64717091 0.02612374 5.22267491 0.25553310 -0.39757173 -0.12000553 Ni 6.90775472 1.71510081 5.21733176 0.37793863 0.55370167 -0.18815096 Ni 0.01262562 3.48666643 3.48225436 -0.17441947 -0.38514997 -0.09694778 Ni 1.76371625 5.19331695 3.50396964 -0.44021724 0.50566131 -0.59362489 Ni 1.76922067 3.48372469 5.21020168 -0.39855678 -0.57879204 0.27477672 Ni 0.03000179 5.17608885 5.24973723 -0.49623337 0.32600797 -0.25228326 Ni 3.45793153 3.49634632 3.50664208 0.30613351 -0.53496575 -0.37033542 Ni 5.17038502 5.23964651 3.47715673 0.48961594 -0.62921617 -0.04436744 Ni 5.23976746 3.48326819 5.21788592 -0.77060779 -0.31317052 -0.02729119 Ni 3.45168186 5.19759630 5.21315509 0.33454266 0.49039986 0.46755133 Ni 6.90916919 3.45654927 3.47881633 0.53398628 0.10046233 -0.14104102 Ni 8.69694629 5.23876957 3.48187498 0.03497314 -0.44490290 -0.34583926 Ni 8.66286204 3.50350325 5.23564724 0.13102940 -0.30460633 -0.26239117 Ni 6.90770990 5.19833450 5.22155298 0.50480099 0.36672927 -0.14434311 Ni 0.01520246 6.93305623 3.47880756 -0.27916250 -0.19978574 -0.06536507 Ni 1.74701857 8.68323907 3.47359272 0.29953784 0.03853315 -0.06269408 Ni 1.70109927 6.91033299 5.20394075 0.65836912 0.55488237 0.33410108 Ni 0.04074411 8.70121939 5.22438242 -0.11096225 -0.10813174 0.15382730 Ni 3.48366704 6.92210085 3.47414872 -0.58527899 0.55175155 -0.24232138 Ni 5.22444663 8.67581736 3.47763974 -0.10975625 0.18722177 -0.14213357 Ni 5.18690433 6.93846745 5.19718981 0.41152291 0.15931754 0.54125653 Ni 3.50056841 8.68444756 5.19835266 -0.43408891 0.11140710 0.28131127 Ni 6.91990088 6.90790458 3.47640014 0.38582860 0.33531281 -0.13536035 Ni 8.68475885 8.70742768 3.45693193 -0.10340433 -0.25457286 -0.31537370 Ni 8.66345767 6.93947637 5.18032423 0.29977862 -0.10166794 0.25559125 Ni 6.97336062 8.68807765 5.17452788 -0.50657883 0.12052267 0.28024226 Ni 0.03172930 0.00008875 6.95422660 -0.26892694 0.01516419 -0.38280651 Ni 1.76578087 1.71051197 6.95424735 -0.20433578 0.58383016 -0.07825341 Ni 1.70861890 0.00306406 8.68325280 0.55154202 -0.06172381 0.26540994 Ni 0.01349694 1.73693448 8.69015498 -0.15761575 0.30765093 -0.13004721 Ni 3.44881022 0.00136633 6.96214777 0.16245857 -0.51286265 -0.29951072 Ni 5.18572959 1.71870468 6.95249307 0.08688762 0.36939947 -0.39085471 Ni 5.23112021 0.02289034 8.63877939 0.12935802 -0.39101451 0.34699083 Ni 3.49700997 1.73193120 8.68985268 -0.42377011 0.20196389 0.24836697 Ni 6.96047717 0.02301986 6.93204964 -0.48886716 -0.47758820 -0.02058744 Ni 8.67265013 1.73242256 6.92151063 0.31987616 0.59623379 0.14960496 Ni 8.65703279 0.03093622 8.66651908 -0.18527487 0.18118297 -0.16614205 Ni 6.93542821 1.75148763 8.65833779 0.02328624 0.14014697 0.33766330 Ni 0.01703752 3.46762987 6.92460002 -0.11993612 -0.20589492 0.31885445 Ni 1.74332721 5.23558816 6.97440359 0.26455194 -0.37368347 -0.35612228 Ni 1.72655183 3.45433868 8.67276331 0.40362744 -0.00473410 0.21670975 Ni 0.02700870 5.20344102 8.66797371 -0.45000614 -0.25917216 0.23040882 Ni 3.45628892 3.48946804 6.92883642 0.25011377 -0.42386997 0.22170587 Ni 5.23201752 5.20347994 6.93966354 -0.26949091 0.24396403 0.18760167 Ni 5.21291091 3.45352006 8.68882195 0.14997947 0.13373278 0.09698030 Ni 3.49777550 5.17151782 8.68252434 -0.31213069 0.28965483 0.20010961 Ni 6.90920230 3.44102985 6.92201360 0.43818070 0.20112715 0.40795215 Ni 8.65087508 5.23069461 6.97041319 0.42887557 -0.12384632 -0.57700344 Ni 8.65619282 3.50242874 8.69897888 0.06520481 -0.48751498 -0.20446362 Ni 6.96706664 5.21424674 8.67091655 -0.85240611 0.08465936 0.33691312 Ni 0.01158975 6.93189190 6.97527660 -0.47556814 0.13312040 -0.55932333 Ni 1.73730405 8.67239901 6.97382059 0.37224234 0.10898378 -0.51379842 Ni 1.70472079 6.91175186 8.68558308 0.80371286 0.34288800 0.51957962 Ni 0.01842705 8.69911619 8.66534293 0.18611777 -0.26964612 -0.13884497 Ni 3.47148162 6.95469484 6.94831379 -0.14402163 -0.13192704 -0.15264525 Ni 5.23928549 8.69413559 6.96940174 -0.15017857 0.09839534 -0.53589123 Ni 5.17574202 6.94012378 8.66161101 0.46374196 -0.20681382 0.30990825 Ni 3.46093313 8.68096356 8.69281796 -0.16842605 -0.04934717 0.01069908 Ni 6.97178797 6.96065171 6.93943246 -0.83229438 -0.26121495 -0.33130003 Ni 8.66655649 8.65515122 6.93474783 0.20545812 0.24879429 -0.26852855 Ni 8.64809047 6.95753971 8.67634812 0.44125459 -0.31232297 0.32404727 Ni 6.94243109 8.65309724 8.68165003 -0.30009976 0.21980028 0.23631151