500 Lattice="17.46584390763229 0.0 0.0 0.0 17.46584390763229 0.0 0.0 0.0 17.46584390763229" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2040.7081580599825 stress="-0.006453120678212709 -0.00014439226360094798 -0.00017951301836643697 -0.00014439226360094798 -0.006200531464626305 -0.000426269809165987 -0.00017951301836643697 -0.000426269809165987 -0.006462189618636125" free_energy=-2040.7081580599825 pbc="F F F" Ni 0.01333500 0.01346663 0.00802457 0.74487601 0.74149602 0.75312682 Ni 1.74675161 1.77862621 0.01929068 -0.15457073 -0.38758917 -0.32002793 Ni 1.75390559 0.02247514 1.76948839 -0.06998425 -0.20919297 -0.40194929 Ni 0.00671280 1.76363975 1.75609897 -0.19830851 -0.27107003 -0.10334504 Ni 3.48213409 0.00237925 0.01161378 -0.12861464 0.33691606 0.30637681 Ni 5.21081882 1.74426467 0.02995729 0.13266681 -0.22167911 -0.53406583 Ni 5.24325104 0.02317261 1.71976055 -0.12121840 -0.16593954 0.17546626 Ni 3.45923455 1.77841732 1.73351190 0.14777326 -0.44474476 0.23758947 Ni 7.01197741 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3.47390360 0.03465237 0.36024707 0.27428920 -0.46078035 Ni 15.72710126 5.21018893 0.02232049 -0.37074829 0.14142181 0.21764832 Ni 15.71948461 3.48022435 1.71089821 0.16101767 -0.00634948 0.28920193 Ni 13.97775704 5.24043072 1.73812506 -0.13814108 0.18296442 0.15183809 Ni 0.01605924 7.00624987 0.00067729 0.10899278 -0.22914451 0.32973817 Ni 1.72119111 8.69953101 0.01625611 0.24228657 0.23389659 -0.29601770 Ni 1.73870664 6.95948261 1.75598867 0.32534846 0.19487992 -0.12596269 Ni 0.02433146 8.70910751 1.76523246 -0.52469617 0.11616634 -0.40776433 Ni 3.51263585 6.99118012 0.00080477 -0.11871165 -0.18191313 -0.14322155 Ni 5.23580195 8.75918631 0.00881254 0.23347957 -0.23193371 -0.36565414 Ni 5.27803634 7.00364183 1.75528385 -0.34372151 -0.51391160 -0.19852651 Ni 3.52531545 8.70359242 1.73025245 -0.50335814 0.15630090 0.20949419 Ni 7.01804510 6.95382185 0.02941642 -0.27602587 0.36780909 -0.50597543 Ni 8.74156096 8.72566537 0.01838644 -0.27510703 0.17755362 -0.14192023 Ni 8.70797630 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10.51108039 0.02355269 -0.07380172 -0.30271756 -0.38188116 Ni 5.26449880 12.25996300 0.01455483 -0.13502379 -0.17601242 -0.28536544 Ni 5.25306627 10.46464729 1.73568189 -0.17859428 0.34440498 0.30740561 Ni 3.46465446 12.20698309 1.72830137 0.30499599 0.05917151 0.40443787 Ni 6.98277235 10.50469189 0.03395622 0.25362557 -0.20575296 -0.36233113 Ni 8.76024672 12.27532929 0.03111308 -0.14683980 -0.28422704 -0.47141728 Ni 8.71284719 10.49251443 1.77775655 0.27451515 -0.33252486 -0.18948726 Ni 7.01296007 12.22091771 1.73907291 -0.15800028 0.33909368 0.32500281 Ni 10.45039307 10.50054466 0.00079258 0.01409497 -0.16209779 -0.27076345 Ni 12.19563740 12.21101623 0.01268939 0.16323659 0.09440041 -0.22582639 Ni 12.19453630 10.45794028 1.74305149 0.38491270 0.36483985 0.19108554 Ni 10.47509290 12.21849535 1.74493150 0.13697576 0.13545115 0.30115024 Ni 13.94806854 10.47205511 0.02182298 0.33747810 0.38718253 -0.22795950 Ni 15.72417294 12.26009177 0.01219525 -0.47640084 -0.16483531 0.31009516 Ni 15.73986902 10.47458155 1.71556854 -0.10211107 0.22994647 0.31344560 Ni 13.94362411 12.24200140 1.76311274 0.22619293 -0.36378240 -0.12573121 Ni 0.01065871 13.99886830 0.03061592 0.35683353 -0.15521956 0.36541155 Ni 1.73835936 15.72537151 0.02334127 0.08281679 -0.44260057 0.44701157 Ni 1.72380223 13.96658183 1.76311703 0.14974990 0.18963048 -0.31283391 Ni 0.01181930 15.71972844 1.75245550 0.23851641 -0.26889514 -0.06640196 Ni 3.46979974 13.95377210 0.01789244 0.12047416 0.45717111 -0.20917832 Ni 5.25204752 15.70591773 0.01110768 -0.05931495 -0.30567652 0.24478190 Ni 5.23041485 13.96304954 1.72027216 0.17433100 0.10134686 0.10883692 Ni 3.52022674 15.72804153 1.75149642 -0.39565081 0.06078411 -0.26752898 Ni 7.01296354 13.99262067 0.00725443 -0.13184388 0.06910465 -0.18267239 Ni 8.75096787 15.70747954 0.00030830 -0.13578103 -0.11427549 0.15200082 Ni 8.75236903 13.98978884 1.72395651 -0.18226904 -0.09298761 0.48055572 Ni 6.99164176 15.73263166 1.75532732 -0.16668912 0.13589922 -0.28773709 Ni 10.50219262 14.00026208 0.01833223 0.05909537 -0.06724759 -0.36867249 Ni 12.25771017 15.71592886 0.04550483 -0.13844834 0.02681361 -0.08229978 Ni 12.24057375 13.99748163 1.73086234 -0.30566162 -0.29649123 0.39031629 Ni 10.46585236 15.73613973 1.71197389 0.16401224 0.24241778 0.33639775 Ni 13.94095059 13.96947536 0.02420610 0.42474138 0.06857683 -0.40509540 Ni 15.72509646 15.70349194 0.03006040 -0.72884254 -0.68194787 0.63389253 Ni 15.69480849 13.95891112 1.73459771 0.13534115 0.42230080 0.07994236 Ni 13.95801404 15.72187956 1.74525344 0.45194440 0.21605897 0.05550665 Ni 0.04279559 0.02404685 3.47028451 -0.12714648 0.05929277 0.15530195 Ni 1.71375910 1.72740448 3.52214624 0.36774339 0.38714834 -0.37512604 Ni 1.74751722 0.00829722 5.22147465 -0.03633731 -0.32663634 0.13563837 Ni 0.01704165 1.77378599 5.26505828 -0.51092509 -0.27672893 -0.26240646 Ni 3.51603470 0.02854530 3.51454979 -0.33179351 -0.18644155 -0.31634728 Ni 5.21122131 1.74252991 3.52620322 0.07844989 0.19783603 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Ni 12.24190295 3.48274728 5.26453965 -0.00103324 0.33173783 -0.18755094 Ni 10.44597743 5.22168664 5.26104652 0.38262696 0.33189677 -0.06670948 Ni 13.96340051 3.47666637 3.46439962 -0.01955795 0.17845736 0.19028900 Ni 15.70603297 5.25426985 3.48634904 0.26664194 -0.25330233 -0.08293089 Ni 15.68463691 3.50980525 5.27276296 0.35524718 -0.18954327 -0.31179652 Ni 13.99408590 5.26048659 5.21345033 -0.18594293 -0.30503565 0.19696298 Ni 0.02624443 6.98646133 3.47073555 -0.36063966 -0.21420944 0.38171902 Ni 1.71433916 8.74795425 3.50139227 0.57009151 -0.30029916 -0.06373958 Ni 1.76731790 6.99118249 5.23022482 -0.25878074 -0.38016362 -0.01202471 Ni 0.01374697 8.69827767 5.28148202 -0.33283013 0.27118501 -0.40747571 Ni 3.50778763 6.95517981 3.47475121 -0.13049774 0.01870823 0.08593584 Ni 5.25445991 8.70592314 3.47555468 -0.34406274 0.24234561 0.43581745 Ni 5.20628199 6.99636418 5.26443664 0.43376580 -0.19075453 -0.46266925 Ni 3.47356774 8.71550274 5.22065442 0.39671153 0.28589946 0.11917622 Ni 7.00837263 6.99733146 3.48644989 -0.40954375 -0.10412297 0.37650754 Ni 8.76315283 8.72029069 3.51290695 -0.20246368 0.31391634 -0.30085243 Ni 8.70308476 7.01244169 5.27318117 0.23728985 -0.03095874 -0.08406098 Ni 6.99489340 8.76217232 5.22571012 -0.24358452 -0.34777275 0.11950637 Ni 10.45865506 6.96659817 3.53433961 0.23700366 0.30217856 -0.33895833 Ni 12.25850615 8.74648268 3.51207933 -0.44101941 -0.27961358 -0.22231725 Ni 12.26044102 6.95712134 5.21035463 -0.48029865 0.58551104 0.55795462 Ni 10.46065210 8.75155907 5.21453451 0.34155371 -0.39050351 0.51205832 Ni 13.99395350 7.01665182 3.52450367 -0.19500449 -0.29253104 -0.63150773 Ni 15.68694649 8.73179427 3.52770633 0.56550089 0.19488924 -0.41229882 Ni 15.72971183 6.98096672 5.25248242 0.25103871 -0.03722317 -0.05443287 Ni 13.99511750 8.76080708 5.21659268 -0.45784126 -0.23432170 0.57527520 Ni 0.01832135 10.44884785 3.47554082 -0.29430727 0.14693615 0.36571857 Ni 1.74141109 12.22818757 3.48417829 0.20458293 -0.19878650 0.17394794 Ni 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5.27076806 15.68695046 0.03288751 -0.32124788 0.32125211 Ni 0.03456086 6.99378140 13.96913721 -0.23972866 -0.07794898 0.16455346 Ni 1.72547616 8.75590527 13.97513349 0.15960302 -0.25518368 0.04064921 Ni 1.71671039 6.94040620 15.73147367 0.14825994 0.33697122 0.12939589 Ni 0.01274019 8.76035227 15.74477212 0.31521590 -0.18889050 -0.35540338 Ni 3.44840523 6.99990792 13.98535023 0.18488119 -0.39853001 -0.21575586 Ni 5.20912487 8.76153584 13.98762307 0.59353560 -0.29960539 -0.20690314 Ni 5.22829011 7.02000533 15.70199915 0.27262361 -0.44693100 0.08603393 Ni 3.51337886 8.70428450 15.69018427 -0.38629961 0.29014811 0.48064393 Ni 6.99714558 6.96522202 13.93823411 -0.10572450 0.35012533 0.40494971 Ni 8.75318103 8.71759620 13.98296883 -0.37236957 0.29736510 -0.46070665 Ni 8.75236173 7.01214296 15.70605236 -0.31020332 -0.39266593 0.18006592 Ni 7.00023355 8.73346663 15.75005901 -0.11738041 -0.02554759 -0.18382073 Ni 10.51101307 7.01605126 13.99050964 -0.34207956 -0.47695116 -0.29351223 Ni 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