108 Lattice="10.404623097850411 0.0 0.0 0.0 10.404623097850411 0.0 0.0 0.0 10.404623097850411" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.093625220169 stress="-1.5102868575524844 -0.6929441321066125 -0.6797057425711923 -0.6929441321066125 -0.16844487938984543 -0.2218325575263762 -0.6797057425711923 -0.2218325575263762 -1.203135647305965" pbc="F F F" Ni 0.01525151 -0.00789920 -0.02851835 0.38479378 0.38066680 0.39882229 Ni 1.74140637 1.72112904 0.00910858 0.02629530 0.25812381 -0.25790230 Ni 1.72254326 -0.00723737 1.72650098 0.14149246 -0.28370280 0.10716684 Ni 0.02596560 1.72664198 1.70172113 -0.25518650 0.16397983 0.12755395 Ni 3.45966723 0.04028933 -0.01036366 -0.03375871 -0.10240544 0.00646966 Ni 5.17092788 1.76571257 -0.01589430 0.29765877 -0.34238221 -0.20975575 Ni 5.17320637 -0.03085591 1.73442504 0.38060016 -0.14837224 -0.08049189 Ni 3.49605370 1.70206522 1.75221726 -0.28436228 0.32567472 -0.07246590 Ni 6.97003962 0.00101410 -0.01651237 -0.36282956 0.25876243 0.28505587 Ni 8.66647701 1.71625523 -0.02444138 -0.15617623 0.13206781 0.25930814 Ni 8.67882849 -0.03241552 1.72747193 -0.27807034 0.40548178 0.16889736 Ni 6.92116709 1.73623959 1.71224405 0.04757646 -0.50041372 0.19993683 Ni -0.00442958 3.49922971 -0.01720066 0.12017023 -0.10596333 0.15823300 Ni 1.73278086 5.20673838 0.03383697 0.00397949 0.10572989 -0.54645987 Ni 1.73186730 3.50246719 1.70288018 0.06718105 -0.42268479 0.43295129 Ni -0.00826981 5.24985282 1.73843673 -0.25829669 -0.19529410 0.11567474 Ni 3.49439312 3.47202801 0.01450207 -0.13708905 0.10554474 -0.22501116 Ni 5.23436651 5.23308931 -0.01258214 -0.14508067 -0.16231717 -0.12523318 Ni 5.23672757 3.45590883 1.75225595 -0.43007222 0.13252191 -0.07338980 Ni 3.45320996 5.21732947 1.76628936 0.22360808 -0.16621128 -0.24695286 Ni 6.91875482 3.45006879 0.03228681 0.11953930 0.12405827 -0.53675714 Ni 8.68020898 5.21073433 -0.03025246 -0.19346412 -0.04748825 0.12541017 Ni 8.65234013 3.45320055 1.70381836 0.29508750 0.13885738 0.13989775 Ni 6.94162497 5.23072451 1.71220280 -0.07261087 -0.25804784 0.14361724 Ni -0.00425947 6.96380371 0.01999119 0.08195383 -0.22148302 0.08681717 Ni 1.70067601 8.64945752 -0.02027456 0.43038757 -0.11123648 0.24795457 Ni 1.75643898 6.93328114 1.70274071 -0.16025975 0.16032298 0.35659931 Ni 0.02833756 8.69473947 1.73665129 0.11723548 -0.23327985 0.16092526 Ni 3.48002282 6.91393111 -0.02704564 -0.06596578 0.18456820 -0.07587918 Ni 5.17029011 8.69065391 0.02592213 0.21515572 -0.12747650 0.04970577 Ni 5.22198003 6.96940305 1.73170180 -0.10591373 -0.25336908 -0.12284588 Ni 3.48656064 8.68724836 1.76592876 -0.19441104 0.19325413 -0.34169159 Ni 6.95381616 6.94967369 -0.00545713 -0.16202208 0.14042663 -0.28618049 Ni 8.68133605 8.64642429 0.03193027 -0.30668886 -0.28660337 0.33241684 Ni 8.64227514 6.91218360 1.72009161 0.37665673 0.13784177 0.24927830 Ni 6.95450562 8.67639293 1.76647994 -0.08039773 0.18129791 -0.16090242 Ni -0.02920015 0.03233096 3.45472031 0.17447682 0.15133234 0.06874409 Ni 1.77831175 1.70303439 3.46937729 -0.28426093 0.31497306 -0.18212962 Ni 1.75432855 0.03420236 5.18540897 -0.19448637 -0.46204097 0.19056903 Ni 0.00804828 1.75097183 5.24306596 -0.19865582 -0.26548748 -0.14974871 Ni 3.48371183 -0.03324819 3.49316675 -0.21015604 -0.31920632 -0.16939116 Ni 5.16804472 1.68890255 3.50047103 0.44420973 0.18890918 -0.18454668 Ni 5.17498351 -0.01387236 5.19690944 0.23555408 -0.21140871 0.38297763 Ni 3.46887008 1.76223386 5.23590806 0.07912361 -0.26772499 -0.05526851 Ni 6.95708142 -0.01271085 3.48686548 -0.12657044 -0.05601381 -0.16060728 Ni 8.67270553 1.76388697 3.46134662 0.18940417 -0.25432150 -0.15852909 Ni 8.69558611 -0.00003098 5.18509391 -0.12190745 0.25954487 0.17056773 Ni 6.95196467 1.75019297 5.23172450 -0.18152973 -0.24017199 -0.06865359 Ni 0.02501169 3.44352325 3.49886619 -0.41814517 -0.09085311 -0.34432305 Ni 1.69993649 5.17407342 3.49822548 0.35628195 0.39305306 -0.25986388 Ni 1.74431446 3.48343193 5.17795291 0.14587432 -0.28706057 0.32243284 Ni -0.00617686 5.18304492 5.23993010 -0.41625477 0.20391186 -0.15384559 Ni 3.49709961 3.44205147 3.50269667 -0.27445635 0.24555185 -0.38821343 Ni 5.17180480 5.20699910 3.44327632 0.29112104 0.04121528 0.09749615 Ni 5.23404080 3.49504027 5.17809413 -0.23879112 -0.23045082 0.39766037 Ni 3.48722574 5.24077407 5.23422298 -0.19316286 -0.44878104 -0.38774475 Ni 6.90203140 3.44475892 3.44666729 0.23488323 0.18323785 0.04734574 Ni 8.64632736 5.20561442 3.47509017 0.28468356 -0.14334408 -0.10733070 Ni 8.64587619 3.46088037 5.17875494 0.38600924 0.12050814 0.16749814 Ni 6.91160393 5.19103295 5.23268937 0.24101081 0.13854568 -0.16662137 Ni -0.00003427 6.95896963 3.48876916 -0.07110228 -0.04652981 -0.08613369 Ni 1.75960798 8.70138395 3.43568451 -0.18571306 0.06192527 0.24608609 Ni 1.74677209 6.92379932 5.22252976 -0.24392084 0.19322513 -0.23627369 Ni -0.02933289 8.69768385 5.18102715 0.35499721 -0.15462144 0.06647203 Ni 3.47134788 6.94238185 3.44445468 -0.19909771 -0.06498246 0.22990748 Ni 5.22585903 8.64029302 3.47046131 -0.10977229 0.49270206 0.08653936 Ni 5.20517636 6.92603693 5.19153298 0.00638077 0.16518855 0.07421676 Ni 3.44914306 8.64707436 5.20806694 0.14600595 0.34750393 -0.14239478 Ni 6.90990644 6.90347026 3.48385846 0.24330217 0.21216410 -0.11700493 Ni 8.67447731 8.69090110 3.46306748 -0.15165532 -0.25266827 -0.05363413 Ni 8.64565730 6.95274115 5.18176644 0.25678912 -0.10902984 0.28318073 Ni 6.93752116 8.68263045 5.20224041 -0.08392229 0.21451817 0.07863720 Ni -0.01364959 -0.03121842 6.95203086 0.39789055 0.32062589 -0.14578336 Ni 1.75888432 1.70817801 6.94169037 -0.33302952 0.02051087 0.13299204 Ni 1.74370295 -0.02495707 8.69749145 -0.03985858 0.32866322 -0.24337636 Ni -0.03250715 1.73354198 8.65661083 0.34440647 0.02761593 -0.27474675 Ni 3.45165703 -0.01230992 6.96726917 0.07568461 -0.33496465 -0.27633346 Ni 5.18173194 1.76615401 6.95740817 0.45430709 -0.40654826 -0.41770329 Ni 5.19980257 -0.00644030 8.66143430 0.21428046 0.06483856 -0.07839875 Ni 3.50033990 1.70017318 8.64704484 -0.40666338 0.14389717 0.59244410 Ni 6.95702092 0.00605248 6.93843332 -0.19817690 -0.13508443 -0.20987976 Ni 8.68847474 1.76646873 6.96925767 0.25589236 -0.10780879 -0.29372748 Ni 8.63645451 0.01666776 8.64793154 -0.16201312 0.19362791 -0.22154150 Ni 6.96335840 1.72897870 8.66905435 -0.29991890 0.11274799 0.20262962 Ni 0.02861740 3.44328605 6.90918597 -0.38370171 0.05568357 0.24130891 Ni 1.73226231 5.17437403 6.91166670 -0.03353658 0.25518884 0.20216558 Ni 1.71618728 3.47636003 8.63902155 0.07781787 -0.23403775 0.47052497 Ni -0.00723158 5.20208717 8.67858448 0.13098297 0.05024283 -0.29938090 Ni 3.45127752 3.43242069 6.96094999 0.02894209 0.38113334 -0.39878754 Ni 5.16948660 5.22474758 6.92645156 0.30605189 -0.36590529 0.18636671 Ni 5.18615687 3.43932073 8.63706997 0.32088165 0.31888160 0.51475403 Ni 3.46202470 5.18633805 8.64163497 0.02992103 0.04510894 0.42777379 Ni 6.96504530 3.49233575 6.94553422 -0.38729513 -0.18163763 -0.05774513 Ni 8.69245927 5.18872852 6.96442993 0.27917229 0.29688905 -0.48018058 Ni 8.63852706 3.50932485 8.65693473 0.16377500 -0.17815748 0.25133186 Ni 6.96001452 5.22652997 8.64207144 -0.35600126 -0.11399302 0.39158151 Ni -0.00022900 6.96535908 6.91918454 -0.10847068 -0.04960598 0.16334564 Ni 1.74927907 8.68595158 6.92399549 -0.12374827 0.11187261 0.21714462 Ni 1.75778311 6.90517152 8.66296424 -0.18836129 0.27231703 0.07877659 Ni -0.02064208 8.69354809 8.68389272 0.59574342 -0.56153099 -0.52384024 Ni 3.47265125 6.91612915 6.92678397 -0.12840375 0.37335608 0.34896323 Ni 5.16826238 8.65274882 6.94858451 0.13240525 0.30661973 -0.12224982 Ni 5.23587677 6.91858875 8.66802680 -0.38786670 0.03715845 0.38267212 Ni 3.48238169 8.70330391 8.70058500 -0.07000023 -0.36337324 -0.24111560 Ni 6.90449389 6.93697374 6.94237593 0.40692758 0.12086145 -0.11417749 Ni 8.64659472 8.68638950 6.94894411 -0.26902155 -0.32530544 -0.01463875 Ni 8.68322851 6.90664887 8.67884489 -0.30580613 0.17527742 -0.25487327 Ni 6.87942498 8.67200717 8.69427194 0.15352850 -0.23892824 -0.26514100