500 Lattice="17.464498139232838 0.0 0.0 0.0 17.464498139232838 0.0 0.0 0.0 17.464498139232838" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1999.861963234776 stress="-0.0052828499145655015 -5.38906299201404e-06 0.000177717546343442 -5.38906299201404e-06 -0.005446817912376963 0.000229848967927323 0.000177717546343442 0.000229848967927323 -0.005329344849213932" free_energy=-1999.861963234776 pbc="F F F" Ni 0.02046055 0.02939634 0.03378660 0.75500598 0.62874972 0.71728111 Ni 1.73067305 1.74471396 0.02968196 0.11916237 -0.23626334 -0.51539232 Ni 1.78807203 0.01395634 1.78110039 -0.27702214 -0.27266576 -0.22529048 Ni 0.01900118 1.74148516 1.71655086 -0.36988872 -0.14782238 0.29207516 Ni 3.52658820 0.00781967 0.01773123 -0.17565682 0.39066256 0.42905805 Ni 5.21986817 1.75349373 0.02393118 0.12758275 -0.00173562 -0.39126214 Ni 5.26218809 0.01741572 1.76820162 -0.20105120 -0.46960684 -0.18139187 Ni 3.49268569 1.77871550 1.72889111 -0.20409334 -0.28608476 0.22798461 Ni 6.96968984 0.01773842 0.01089055 0.12637510 0.42632031 0.42593269 Ni 8.73221600 1.77685821 0.02116015 -0.32319852 -0.38596065 -0.30358399 Ni 8.76523532 0.00683403 1.77484763 -0.42142622 -0.31661429 -0.34917499 Ni 6.96863767 1.71702867 1.76881003 0.38932012 0.39354512 -0.19440684 Ni 10.48420598 0.03439126 0.04030804 -0.15897485 0.07581942 0.01252452 Ni 12.20524470 1.73721411 0.02518899 0.20667325 0.23856519 -0.55664786 Ni 12.20886070 0.03280769 1.73261161 0.24706138 -0.69033023 0.16696459 Ni 10.47766524 1.73862770 1.72301687 -0.12702080 0.47574767 0.54617781 Ni 13.94535661 0.03331253 0.02088394 0.28942063 0.40337818 0.41585284 Ni 15.72441476 1.77630089 0.00223565 -0.63270684 -0.14271831 0.61796031 Ni 15.75276751 0.02150671 1.73764584 -0.72036136 0.70105366 -0.02459405 Ni 13.95650694 1.71523088 1.73211577 0.47620710 0.20491196 0.15762939 Ni 0.00685714 3.49103671 0.00093602 0.32607175 -0.02422145 0.27084953 Ni 1.75939358 5.24652594 0.02996845 -0.27419219 0.23260550 -0.48376141 Ni 1.72717407 3.49539206 1.71880969 0.16302193 -0.17905737 0.44912935 Ni 0.00651433 5.21791931 1.74123705 -0.34818381 0.19872967 -0.07661344 Ni 3.45849049 3.51568236 0.00433834 0.24223675 -0.18678497 -0.37765721 Ni 5.26602920 5.21107933 0.02932175 -0.34081340 0.24400253 -0.35695254 Ni 5.23889611 3.47364865 1.78476419 0.03486998 0.23727083 -0.24052739 Ni 3.46660466 5.22119798 1.75325847 0.23043093 0.18006446 0.29979762 Ni 6.96730922 3.50460956 0.01704751 0.18293536 -0.22137327 -0.19319035 Ni 8.74488603 5.26296122 0.01589186 -0.25177833 -0.21399897 -0.55980176 Ni 8.73866253 3.51881100 1.73943876 -0.15627806 -0.20066877 0.44354300 Ni 6.95330053 5.27098435 1.74350230 0.31423654 -0.06539608 0.25814304 Ni 10.44455677 3.46527238 0.02431049 0.37536747 0.23745528 -0.44286082 Ni 12.25013626 5.19620926 0.02259802 -0.29678522 0.23421120 -0.45601934 Ni 12.24878759 3.49779679 1.77476396 -0.34598375 -0.21725580 -0.11804513 Ni 10.47541280 5.25591625 1.71721853 0.32312440 -0.26739860 0.57792600 Ni 13.96146351 3.49415692 0.02976555 0.20001619 -0.28975168 -0.54579301 Ni 15.73666572 5.21542524 0.02611800 -0.45065856 0.18678327 0.33688579 Ni 15.68986663 3.51398564 1.72408731 0.37620052 -0.32455655 0.14279419 Ni 13.95129367 5.22686452 1.73418814 0.44308948 0.18795231 0.25037511 Ni 0.01541811 7.01431593 0.02763830 0.33922713 -0.20497859 0.23721261 Ni 1.72102230 8.77740796 0.02409939 0.16013115 -0.36146582 -0.38025618 Ni 1.72704276 6.99722294 1.77050285 0.41763353 -0.06531523 -0.06690740 Ni 0.01098346 8.71341596 1.72584448 -0.31528226 0.34039577 0.26485154 Ni 3.51827227 7.00853316 0.01999071 -0.46108500 -0.21769811 -0.36700832 Ni 5.22075257 8.71862230 0.01999163 0.27870635 0.25486891 -0.58458141 Ni 5.18896581 7.00165821 1.74990801 0.34996408 -0.49623627 0.17724765 Ni 3.52644910 8.73544306 1.76052031 -0.69656151 -0.09144573 0.15015383 Ni 6.99672811 7.01603134 0.00364341 -0.28270059 -0.35637626 -0.38123007 Ni 8.71260236 8.69830755 0.01433739 0.24074794 0.33240524 -0.30830925 Ni 8.76142829 6.96198783 1.71428100 -0.34020706 0.33767708 0.65925421 Ni 6.95957996 8.70982375 1.72070283 0.28664369 0.29789073 0.35615978 Ni 10.49306676 6.98074582 0.02202413 0.24320915 0.12166528 -0.46589753 Ni 12.21155077 8.74239887 0.00474446 0.20843462 -0.13942103 -0.38447498 Ni 12.25866587 6.98834661 1.77203681 -0.48611889 -0.09172748 -0.27847481 Ni 10.50695004 8.74726022 1.76000224 -0.27453304 -0.30068251 0.05591795 Ni 13.96931568 6.96137896 0.01443398 0.23330554 0.11132580 -0.33884699 Ni 15.74397533 8.72572524 0.02547698 -0.55332219 -0.04953491 0.34367201 Ni 15.72753917 7.00339912 1.76548298 0.14530028 -0.21409200 -0.15763621 Ni 13.95124805 8.71254351 1.72676521 0.25365812 0.29132633 0.14168012 Ni 0.01177514 10.50638974 0.00946383 0.17815351 -0.06812302 0.39437887 Ni 1.72192594 12.21212571 0.03347235 0.17854573 0.31296669 -0.68803767 Ni 1.77413239 10.50468623 1.71866181 -0.17936083 -0.38410739 0.40992852 Ni 0.02391192 12.25989072 1.75065178 -0.57425931 -0.01990646 -0.14057677 Ni 3.48871257 10.44480007 0.00593919 0.01617466 0.28277745 -0.42635339 Ni 5.21552821 12.21949076 0.00554845 0.13760474 0.12013473 -0.17559037 Ni 5.20842324 10.46398813 1.75378887 0.36536836 0.46384592 0.13812221 Ni 3.47126083 12.25367651 1.73468039 0.43183778 -0.19698968 0.35613715 Ni 7.00370350 10.51182645 0.01037735 -0.25186539 -0.31974616 -0.20776530 Ni 8.69918222 12.22053129 0.02022157 0.46778741 0.13897259 -0.25380166 Ni 8.72132419 10.45570885 1.78192126 -0.16888188 0.24987246 -0.16871224 Ni 6.98620040 12.25235691 1.73763652 -0.11147746 -0.15873313 0.52329911 Ni 10.46359596 10.45084926 0.02042497 -0.17042726 0.13994787 -0.42404376 Ni 12.21083100 12.21102790 0.02952995 0.14164836 0.13360581 -0.43351921 Ni 12.19579252 10.45508665 1.76109260 0.35063325 0.23032934 0.19145391 Ni 10.49083940 12.19369121 1.74109645 -0.27179648 0.51501679 0.23116314 Ni 13.96910880 10.49122707 0.03367692 0.10775996 -0.17113202 -0.40924504 Ni 15.70842214 12.23127315 0.03433184 -0.29623314 0.01129993 0.26891433 Ni 15.73567488 10.46458194 1.71627036 0.14090385 0.06124243 0.22965583 Ni 13.95472392 12.19805125 1.75858011 0.08586124 0.22940376 -0.05758957 Ni 0.02679269 14.00465781 0.00307333 0.43614686 -0.19089131 0.43410610 Ni 1.73096073 15.69820483 0.02395519 0.18131186 -0.43823128 0.38535531 Ni 1.76750412 13.94331118 1.76095056 -0.03923602 0.45280413 -0.04783687 Ni 0.02768614 15.68918466 1.71187491 0.34033452 -0.32242127 0.06783049 Ni 3.51508757 13.98773100 0.01223968 -0.21768489 0.09244044 -0.35136950 Ni 5.24663874 15.71945460 0.00736728 0.04542168 -0.46207227 0.54744808 Ni 5.22024040 13.98957315 1.78023510 0.19456800 -0.12494122 -0.33139247 Ni 3.46804210 15.71764197 1.75293824 -0.00932493 0.27971552 -0.00008781 Ni 7.00906431 13.97194193 0.02342949 -0.32955538 0.14112513 -0.37279766 Ni 8.75029700 15.69100668 0.00354080 -0.03331781 -0.19897658 0.26720597 Ni 8.75039520 14.00536974 1.75588144 -0.08589920 -0.70944402 0.12630999 Ni 7.01857919 15.69210333 1.75537455 -0.21049777 0.40430577 -0.17792244 Ni 10.48605773 13.98657016 0.00041096 -0.11097814 -0.20146572 -0.24315442 Ni 12.20638797 15.68928284 0.01917458 0.15538231 -0.26148131 0.35981814 Ni 12.22361064 13.97953677 1.73623022 -0.09555738 -0.13413181 0.09562877 Ni 10.44798632 15.68957759 1.77975392 0.48890442 0.55770644 -0.35815155 Ni 14.00066013 13.96946230 0.02658522 -0.07439896 0.12885797 -0.27690634 Ni 15.71905576 15.72076553 0.03126951 -0.84528834 -0.85142643 0.87376295 Ni 15.71364509 13.95349312 1.75570928 0.26694556 0.33596080 -0.10399185 Ni 13.95546097 15.69734441 1.77106919 0.30944460 0.37593594 -0.18985127 Ni 0.01696144 0.00347316 3.52572116 0.32783523 0.41854775 -0.22663897 Ni 1.72848632 1.73952198 3.52215051 0.28519856 0.28188532 -0.40753888 Ni 1.76076856 0.03171687 5.22058243 -0.15878346 -0.41187863 0.25468441 Ni 0.00015645 1.77574346 5.23188506 -0.27090684 -0.24283775 0.17802320 Ni 3.51624653 0.00806163 3.50302201 -0.21622845 -0.32023940 -0.27116131 Ni 5.22963704 1.74686094 3.47712746 0.25685179 0.25447800 0.15951143 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0.03049560 3.49720232 3.48902293 -0.48097277 -0.19667539 -0.06900791 Ni 1.73138342 5.21037604 3.51670110 0.45233337 0.26450913 -0.30183227 Ni 1.77756945 3.51840170 5.25220879 0.16204760 -0.13595669 -0.06552609 Ni 0.01312317 5.24742706 5.21899674 -0.36930637 -0.10761884 0.18262598 Ni 3.50821511 3.46789605 3.47397591 -0.36257888 0.26789579 0.16244810 Ni 5.26052872 5.23236917 3.51735634 -0.23776309 0.07806474 -0.36341612 Ni 5.20763297 3.47396379 5.25761547 0.45514428 0.15310175 -0.34170956 Ni 3.52556869 5.27242167 5.20874843 -0.32952377 -0.41911476 0.23630307 Ni 7.00370491 3.51361427 3.46165577 -0.10147745 -0.30054930 0.17124677 Ni 8.74604673 5.24430616 3.50911991 -0.08898600 0.03410730 -0.22133742 Ni 8.70885814 3.48477413 5.25053272 0.35611888 0.20425950 -0.06007067 Ni 6.97182973 5.21317867 5.20983927 -0.15496107 0.32835481 0.34491413 Ni 10.51163028 3.50144934 3.50710486 -0.36748685 -0.10458594 -0.27221925 Ni 12.24646033 5.23814607 3.47712665 -0.30294366 0.00694834 0.11184484 Ni 12.22953717 3.50471840 5.25717755 0.00148810 -0.18568026 -0.13561994 Ni 10.50713739 5.22991431 5.22601858 -0.23571276 0.02421221 0.20815060 Ni 13.96044089 3.48532425 3.49373690 0.02167085 -0.12838123 -0.13742732 Ni 15.73266665 5.21716890 3.49569333 0.16773906 0.10725097 -0.18787944 Ni 15.70568102 3.46355923 5.24025751 0.49385514 0.23178908 0.16397560 Ni 13.99741171 5.20581673 5.21611956 -0.25504275 0.29457918 0.30005625 Ni 0.01973353 6.97683983 3.49291066 -0.31016261 0.12934367 -0.05267684 Ni 1.78058179 8.75483226 3.50879571 -0.29496778 -0.15265054 -0.31537780 Ni 1.74698667 6.99620544 5.26939994 0.14956106 -0.15540094 -0.44155633 Ni 0.01948873 8.71869196 5.23915679 -0.34153189 0.22056303 -0.19656044 Ni 3.48598707 6.96704412 3.50783803 -0.17481515 0.09659688 -0.30758892 Ni 5.25621423 8.71114276 3.46273707 -0.26397341 0.36326933 0.33034829 Ni 5.22427406 7.02439355 5.21326875 0.44462791 -0.21040838 0.39193446 Ni 3.49512315 8.72459317 5.21378244 0.11640045 0.23215100 0.28386685 Ni 6.97094617 7.01696116 3.46248810 0.39354218 -0.30229339 0.16341370 Ni 8.75703073 8.75190742 3.48055610 -0.34292969 -0.38078123 0.04952786 Ni 8.69909485 6.95255912 5.27240304 0.09440366 0.40309795 -0.56294916 Ni 6.99001333 8.75806472 5.20502829 -0.11506668 -0.21894358 0.42501503 Ni 10.45823461 7.00087147 3.47540579 0.20154678 -0.19606911 0.22329673 Ni 12.23829187 8.71490617 3.49761632 -0.21571817 0.28375361 0.31941185 Ni 12.23419384 6.95044702 5.24161430 -0.08342866 0.29438821 -0.01409515 Ni 10.44147503 8.72341634 5.24461830 0.31290127 -0.06286748 -0.21553522 Ni 13.93794780 6.96752834 3.46101103 0.54758139 0.02718187 0.39479341 Ni 15.69475365 8.74943658 3.48895276 0.27806651 -0.18133428 -0.13417331 Ni 15.73486592 6.94559985 5.25732350 0.05464056 0.19559236 -0.23430000 Ni 14.00032994 8.71849748 5.21465119 -0.42977969 0.04465664 0.24858066 Ni 0.01536554 10.50258849 3.45993190 -0.27985195 -0.25854800 0.10156494 Ni 1.74964948 12.19562762 3.46659995 0.14817684 0.50456170 0.23783535 Ni 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