500 Lattice="16.21345565557385 0.0 0.0 0.0 16.21345565557385 0.0 0.0 0.0 16.21345565557385" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1225.7378671773542 stress="0.7567094106167644 -8.64783849763431 -25.985123340974404 -8.64783849763431 -7.63890751975071 5.577894423022457 -25.985123340974404 5.577894423022457 -12.057109027321008" pbc="F F F" Ni -0.00595783 0.00323077 -0.03196107 0.18743713 0.14673238 0.28554406 Ni 1.59640303 1.59788312 0.03201286 -0.49409739 0.88783215 -0.21178628 Ni 1.62852829 0.00808720 1.59059149 -0.29468473 -0.13852192 1.19908472 H -0.00120636 1.62967130 1.60517487 0.03623596 -0.41464270 -0.38530881 H 3.21185082 0.01872608 -0.00890585 -0.35393616 0.10985201 0.15956568 H 4.89385818 1.60957498 0.01792469 -0.03803608 0.31855972 0.02663475 H 4.86712855 -0.01496211 1.61220348 -0.00180295 0.09480345 0.14490456 Ni 3.28001817 1.59087567 1.59380207 -0.20312226 -1.00359139 -0.11021722 H 6.47774992 -0.00086220 0.00597586 0.25253548 0.31151416 0.07475799 Ni 8.11487698 1.60446301 0.02957249 -0.43098036 -1.28689523 -1.46115108 H 8.10761771 0.02378945 1.61445982 0.05910295 0.12369355 -0.16869500 Ni 6.50275994 1.61994713 1.64366804 -1.11930597 -3.15467083 -1.59546877 Ni 9.75838538 0.00144465 -0.03220346 -0.52022651 -0.73289576 -0.31644470 Ni 11.34110652 1.62590450 -0.01357451 1.24325565 -0.84778164 -2.40527675 Ni 11.38519715 0.01114954 1.63873620 -0.14008475 -0.60617779 0.54642975 Ni 9.74789796 1.60298615 1.64181244 0.24045208 -1.80299187 1.67533124 H 12.94932659 0.00742371 0.00903393 -0.03305622 0.11396663 -0.02103375 Ni 14.56386506 1.58055240 -0.01690618 -0.10740544 0.05887720 0.61047348 H 14.57010690 0.00790615 1.64932054 -0.00062460 0.18309036 0.14485498 Ni 12.99601424 1.65166352 1.64567231 0.67276336 -0.94476230 -0.16278204 H 0.02564299 3.18806758 0.00767347 0.08192538 -0.06719324 0.02683578 H 1.61059083 4.89564350 0.02733900 -0.03232467 0.33448090 -0.04937736 H 1.64674389 3.23095675 1.60370468 0.26337516 -0.03903507 -0.08266541 Ni -0.02841682 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4.87512573 0.01637563 -0.37171929 0.20508242 0.45437592 H 14.60951675 3.27283219 1.61232436 -0.24075137 -0.05915054 -0.19084105 Ni 12.94470310 4.83191260 1.64705509 0.95487159 2.06709785 0.98889703 Ni 0.00852731 6.52909903 -0.01662854 0.13518225 -0.30028661 0.08415848 Ni 1.59750502 8.09903779 0.04520963 0.03323656 0.92971307 -0.39456508 Ni 1.63580528 6.51216898 1.62348582 0.31895929 0.40264705 1.13973732 H 0.04199107 8.13450792 1.61429346 0.16158852 -0.01264559 -0.23629721 Ni 3.23503389 6.47559616 0.00181851 0.06729859 -0.85917116 0.56509061 H 4.86952214 8.11766818 -0.02418575 -0.00996784 -0.03592739 -0.25985893 H 4.89913168 6.47435959 1.66951882 -0.00143184 0.08184306 -0.05696241 H 3.25523981 8.11358088 1.66232157 -0.24565528 -0.22157538 -0.20744454 H 6.43952517 6.49890603 -0.00640890 0.26585151 -0.09944247 -0.18415415 Ni 8.08229450 8.13785795 -0.01554604 -0.16735933 -0.62827898 1.24338331 H 8.14752912 6.51791490 1.59803950 0.20348985 -0.07071006 -0.14387494 H 6.52535620 8.11046725 1.64710218 0.07315708 0.32122410 0.04940698 Ni 9.69149913 6.50689797 0.00326005 0.49343020 0.33725603 1.39794148 H 11.32832073 8.08055012 0.02288785 -0.17693945 0.16785182 -0.07058330 H 11.32310349 6.47404365 1.60607398 0.01472756 -0.15510701 -0.22229107 H 9.70588207 8.13593412 1.59346070 -0.15923234 0.18863894 -0.17464456 H 12.97071034 6.52641029 0.01562969 0.24073162 -0.05210634 -0.05161173 Ni 14.55295692 8.14825197 -0.00489692 -0.21190719 -0.25733480 0.08217305 H 14.56409485 6.52792377 1.67899504 0.05805318 0.14780856 -0.12013066 Ni 12.98153065 8.08879140 1.61629369 -1.44174797 -1.76155980 -0.47874067 H -0.01339903 9.67734146 -0.01883774 0.14799794 0.00946669 0.08988221 H 1.57561882 11.37986336 -0.02627358 0.04667664 -0.04352655 -0.00108887 Ni 1.63352145 9.73305742 1.60808477 0.65829913 -1.38834946 -0.02299888 Ni 0.01053378 11.32963678 1.60647881 0.06324761 1.29153507 -1.12597050 H 3.22758331 9.75529498 -0.00780050 -0.14499832 0.11583121 -0.04553429 Ni 4.87065689 11.37925453 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1.61326676 -0.97700254 0.56485432 -1.84853631 H -0.00565735 12.95725677 -0.03144151 -0.08287410 0.19006654 0.09778003 Ni 1.65366279 14.58793444 0.02199927 -0.42197782 -0.44937905 0.48397904 H 1.58217095 13.01600705 1.63169911 0.00632818 0.36299061 0.24732722 Ni 0.00702652 14.57840706 1.59409038 0.38777827 -0.66254734 -0.42806055 Ni 3.22596906 12.95530097 -0.03034791 -0.93254316 0.27087341 -0.23111418 H 4.86759978 14.61369755 -0.00048012 -0.31574792 -0.09440930 0.13265419 Ni 4.85677863 12.94501748 1.64197706 2.54053089 0.51174151 0.59649194 Ni 3.25060414 14.61537819 1.63633550 -0.02256467 0.31914357 -0.21971457 H 6.45091765 12.94970011 -0.01020611 -0.01928640 -0.23057979 -0.03688886 H 8.10044917 14.57219248 0.00733145 0.33918203 -0.11940239 0.11147690 Ni 8.07580762 12.95823547 1.60685207 -1.55487254 -0.82465973 0.24846136 H 6.45942523 14.59627594 1.64931372 0.18064173 -0.00318762 0.15745677 Ni 9.69774795 12.94627308 -0.03036148 0.68336474 -0.31342678 -0.21020140 H 11.33044676 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6.44318759 14.61991682 -0.20731108 -0.04745886 -0.14432549 H 12.92544224 8.09152413 14.61138124 0.00436574 0.04472711 -0.20131103 Ni -0.00256257 9.72303389 12.99322754 -1.08883036 0.86080057 0.23023942 Ni 1.63231763 11.38139201 12.97466461 -0.52420605 -0.58840731 0.04880766 H 1.63997892 9.72026880 14.56321822 -0.32485154 0.15507508 -0.08232711 Ni -0.00733186 11.34895584 14.61266764 0.85241732 0.32029704 -0.21282425 H 3.24547914 9.73728109 12.95651588 -0.29675740 -0.00222098 0.08566098 H 4.87543654 11.32317503 12.97347595 0.23438826 0.32448053 -0.09286110 H 4.82835579 9.70916857 14.53592527 0.16489684 -0.08626018 0.06130416 Ni 3.19627833 11.40175269 14.59281067 0.08101111 -0.13237355 -0.04880271 Ni 6.50152061 9.73906553 12.96850507 -0.06973221 1.21473366 -0.51775632 H 8.10794010 11.30742780 13.00611662 -0.24010631 -0.01677665 0.08539383 H 8.07122990 9.76122226 14.57637664 -0.11791328 -0.04838661 0.06896146 H 6.50106101 11.33448083 14.57857288 -0.00372598 -0.00789651 -0.04882421 H 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