500 Lattice="17.496599453464917 0.0 0.0 0.0 17.496599453464917 0.0 0.0 0.0 17.496599453464917" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2018.4926157015536 stress="-0.005947504086868348 -0.00011688965014313144 -0.0004546727565622172 -0.00011688965014313144 -0.006056384931099781 0.0002691465213008168 -0.0004546727565622172 0.0002691465213008168 -0.006123311015477755" free_energy=-2018.4926157015536 pbc="F F F" Ni 0.03022760 0.02635152 0.01355693 0.44890729 0.50632300 0.39350521 Ni 1.78102957 1.76829681 0.01254578 -0.32463442 -0.17813956 -0.36518223 Ni 1.72086987 0.02684209 1.74270043 0.23945166 -0.36576046 0.11219003 Ni 0.00900068 1.74888991 1.74377345 -0.23950585 0.05181165 0.18751445 Ni 3.51924219 0.00363841 0.01255850 -0.17582885 0.14264173 0.13619851 Ni 5.23902314 1.75407325 0.01093167 0.16469104 -0.03380244 -0.41058065 Ni 5.25136780 0.00830286 1.73545748 -0.08358386 -0.43031916 0.19440156 Ni 3.50013799 1.72929726 1.72909427 -0.17417422 0.22190500 0.40670282 Ni 6.99501835 0.00839439 0.03697574 0.05497839 0.10673574 0.00780072 Ni 8.72357891 1.77738695 0.02710186 0.15351110 -0.21872837 -0.42090502 Ni 8.74705331 0.00143634 1.76350148 0.08493009 -0.19242909 -0.31157779 Ni 6.96410652 1.73510178 1.73010813 0.36362048 0.36123668 0.43339974 Ni 10.50107091 0.01887137 0.02164585 -0.11373046 0.26543078 0.24494801 Ni 12.22731698 1.75965369 0.01142834 0.07089991 -0.07494279 -0.26724641 Ni 12.25304286 0.00762347 1.74459682 -0.17422840 -0.11129601 0.13524554 Ni 10.47355538 1.78347124 1.74773369 0.33814106 -0.31738605 0.06043455 Ni 13.96790142 0.01581463 0.02439062 0.16847331 0.25228356 0.13699136 Ni 15.73786831 1.77619392 0.02518413 -0.14906672 -0.25720545 0.21321254 Ni 15.72959425 0.00137904 1.76191057 -0.11894002 0.19509427 -0.27819053 Ni 14.00770831 1.73354434 1.72546687 -0.18424876 0.39202061 0.43258436 Ni 0.00036104 3.50643457 0.04575055 0.08032549 -0.06827280 -0.06044036 Ni 1.72344472 5.27331901 0.01030024 0.13865720 -0.16446452 -0.22180772 Ni 1.71665808 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3.46762567 0.00375892 -0.13376865 0.27531679 -0.32244854 Ni 15.73831305 5.26427716 0.00607133 -0.28382998 0.02557599 0.11335858 Ni 15.73760817 3.53512348 1.72433608 0.13996873 -0.21526215 0.28546595 Ni 13.97547611 5.27418131 1.71519469 0.26241611 -0.27129779 0.59112167 Ni 0.03442468 7.01522475 0.01050875 -0.09815219 -0.15566487 0.29780990 Ni 1.73038356 8.71532226 0.00140898 0.13033932 0.33034653 -0.17661154 Ni 1.71529813 7.02803852 1.77932668 0.56785715 -0.67665283 -0.15220191 Ni 0.02504279 8.75183243 1.78356383 -0.57690658 0.26585011 -0.47499365 Ni 3.47419526 6.99141109 0.00857913 0.11575234 0.16129251 -0.21836651 Ni 5.24130448 8.77514605 0.02597388 0.20360570 -0.32347396 -0.40498179 Ni 5.27861402 7.03225738 1.72094118 -0.30021072 -0.42069323 0.31928173 Ni 3.49390173 8.72018230 1.77489531 -0.09232986 0.08142658 -0.10337899 Ni 7.02769338 7.02509710 0.03085060 -0.20508119 -0.20074408 -0.49713002 Ni 8.73160665 8.76418656 0.00291929 0.14667311 0.00745347 -0.31593177 Ni 8.71943124 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10.45001767 0.00078252 -0.25778719 0.21358234 -0.24723361 Ni 5.21649805 12.22113976 0.00844849 0.09859065 0.13242824 -0.26147512 Ni 5.23242008 10.46734687 1.74661746 0.20478546 0.32100834 0.28671483 Ni 3.46594877 12.26076613 1.72111208 0.48486558 -0.28148429 0.40445432 Ni 6.98499328 10.52140548 0.00568149 0.17806746 -0.10271188 -0.05636614 Ni 8.76975800 12.25855267 0.03116076 -0.17458545 -0.19478099 -0.28515222 Ni 8.76866318 10.48436222 1.76525108 -0.24353401 0.18503738 -0.03532257 Ni 6.99419237 12.26386442 1.75168679 0.02327793 -0.11672987 0.19167776 Ni 10.50326578 10.47508825 0.01211420 -0.07146937 0.06803010 -0.37675621 Ni 12.27524390 12.23611032 0.03387798 -0.06370767 0.13900788 -0.54487634 Ni 12.22595326 10.50666199 1.72984622 0.30277948 -0.44417159 0.49712857 Ni 10.53031688 12.21653897 1.74618756 -0.34711701 0.32664092 0.25439845 Ni 14.05140266 10.48132313 0.02950874 -0.28423721 -0.05678006 -0.33137202 Ni 15.75658004 12.22742082 0.02782909 -0.21761254 0.18628485 0.14967715 Ni 15.72936841 10.50938199 1.78382504 0.36686923 -0.22832816 -0.20357942 Ni 13.99818201 12.25070981 1.72871808 0.12112615 0.04144762 0.47027842 Ni 0.00617521 13.99721027 0.01933076 0.39908486 -0.05572305 0.45001825 Ni 1.74947123 15.73830613 0.01927061 -0.04769297 -0.32395185 0.31222646 Ni 1.78036470 13.99456206 1.75691790 -0.58865820 0.21143489 -0.13623426 Ni 0.02622165 15.72012807 1.77724289 0.31128935 -0.33792631 -0.00356148 Ni 3.49372349 14.00596123 0.00880687 -0.02248565 0.17821739 -0.34945204 Ni 5.26063941 15.70370433 0.02766788 -0.13940527 0.09826027 0.15976996 Ni 5.22785225 13.99056598 1.71913818 0.14423383 -0.10210458 0.54298115 Ni 3.46807083 15.77930820 1.78235606 0.21864383 0.21061250 -0.35681283 Ni 6.98662373 14.00504105 0.02395434 0.21981889 -0.13830031 -0.34194442 Ni 8.74564194 15.77046195 0.01394173 0.04457729 -0.35813773 0.20523550 Ni 8.77234058 14.00647364 1.73926726 -0.35165173 -0.17415611 0.20002270 Ni 7.02382446 15.75017131 1.75541857 -0.04441366 0.17215604 -0.09832516 Ni 10.49057082 13.98122217 0.02532361 0.33743495 0.23039521 -0.29556672 Ni 12.24983779 15.77127769 0.01413742 -0.16563427 -0.41243850 0.27964744 Ni 12.26580040 13.99243724 1.78158445 -0.21420548 0.12066727 -0.31862253 Ni 10.48570785 15.72249737 1.76101418 0.25633664 0.48399322 -0.14493849 Ni 13.99925560 14.03143895 0.02330075 0.08933035 -0.06221032 -0.31935647 Ni 15.74770262 15.75336589 0.01449341 -0.60092867 -0.57376504 0.62093385 Ni 15.73477235 13.98999101 1.74741016 0.11157088 0.22919542 0.17597757 Ni 13.96439628 15.77431847 1.73482127 0.45220085 0.11103112 0.23474444 Ni 0.00765933 0.01853420 3.52629467 0.09856626 0.16290543 -0.25356213 Ni 1.76912359 1.74083337 3.51695210 -0.10344921 0.45074015 -0.35085653 Ni 1.73476377 0.01345906 5.22165390 0.11109818 -0.43080492 0.31728859 Ni 0.00088840 1.73739542 5.24765072 -0.24931614 0.15794297 0.24581156 Ni 3.51719485 0.02768278 3.52576496 -0.29067770 -0.58239098 -0.43726027 Ni 5.22957862 1.72370820 3.49812713 0.40359167 0.39216407 -0.05047616 Ni 5.25729520 0.03271759 5.21708804 0.10922292 -0.57876478 0.32294837 Ni 3.51775616 1.74303027 5.23982421 -0.18245219 0.53790976 0.13818631 Ni 7.03194753 0.00110599 3.47634144 -0.38448795 -0.18381433 0.13688160 Ni 8.75061489 1.72548417 3.50173393 -0.21003063 0.56335939 0.01772168 Ni 8.71690570 0.01437292 5.24185826 0.34247605 -0.13756081 0.21509980 Ni 6.97983417 1.78038702 5.27321172 0.16995867 -0.19816950 -0.46672257 Ni 10.48898972 0.00675181 3.47836079 0.09428151 -0.14902101 0.19299446 Ni 12.24291941 1.74680797 3.52913090 0.10177471 0.19391493 -0.48213730 Ni 12.25670525 0.01528042 5.22507769 -0.03912026 -0.35908027 0.17514399 Ni 10.49726288 1.77352545 5.28195512 -0.12335303 -0.21910053 -0.12639296 Ni 14.02617425 0.00914143 3.46275984 -0.29101344 -0.27105287 0.29788939 Ni 15.75209318 1.71725855 3.48642038 0.13964925 0.47757066 -0.06968681 Ni 15.75745627 0.02357358 5.22370817 -0.28251768 0.18718950 0.08941131 Ni 13.97521408 1.75653644 5.25367808 0.34383581 0.06193737 -0.16505845 Ni 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12.24402915 3.55515029 5.22748863 -0.03284764 -0.54249468 0.45538246 Ni 10.46862077 5.27269388 5.21697940 0.20308800 -0.20903531 0.19589525 Ni 13.99744275 3.51302252 3.52383677 -0.13790600 -0.25359286 -0.60714288 Ni 15.75031095 5.21510990 3.50848652 0.19575866 0.35517477 -0.28231395 Ni 15.74379176 3.50372302 5.21560588 0.16133492 -0.27411480 0.38383927 Ni 13.97194798 5.26954976 5.23022752 0.21729868 -0.16181853 0.47578840 Ni 0.00619078 7.02743968 3.48185259 -0.39284313 -0.26974759 0.42011642 Ni 1.73845879 8.73771592 3.47077653 0.56099553 0.10555300 0.63586727 Ni 1.72196645 6.99114360 5.28289684 0.61795744 0.25103855 -0.38106875 Ni 0.02628899 8.77693190 5.27706884 -0.45272484 -0.30136183 -0.06949563 Ni 3.52542821 6.98910221 3.52555316 -0.48733338 -0.02283508 -0.26154273 Ni 5.26061206 8.72181430 3.47108150 -0.08469122 0.37887410 0.30213153 Ni 5.21670317 7.00724331 5.23118758 0.34707722 0.11441516 0.42245845 Ni 3.49076107 8.77625581 5.26006494 -0.18814530 -0.33808962 -0.21110396 Ni 6.96893376 6.97520138 3.49347832 0.35731413 0.21717788 0.11487613 Ni 8.77621579 8.72730305 3.49516602 -0.24845270 -0.09723936 0.31050082 Ni 8.73709830 6.97875157 5.28386175 0.13194310 0.49593278 -0.50932113 Ni 7.01779689 8.73581020 5.22365089 -0.30051640 0.02465307 0.25351658 Ni 10.50854877 6.98637584 3.50351957 -0.07450248 0.13925531 -0.14060096 Ni 12.26064441 8.73739348 3.49943594 -0.31140992 0.20503985 -0.33829946 Ni 12.27835006 7.04627685 5.23506667 -0.40857165 -0.50768237 0.16812546 Ni 10.51304045 8.77247333 5.26629290 -0.26523283 -0.40156203 -0.09480381 Ni 14.02397779 6.98132821 3.52840881 -0.33745058 0.01812791 -0.69607218 Ni 15.74342308 8.75215440 3.48612039 0.18749826 0.09473597 0.00913168 Ni 15.72566134 7.01687432 5.20980646 0.51147622 -0.07555078 0.19600693 Ni 13.96984868 8.75938773 5.21557617 0.28580679 0.27292355 0.34414172 Ni 0.02137534 10.46666160 3.52576697 -0.36616352 0.28040749 -0.26253077 Ni 1.74036482 12.26563822 3.47652879 0.42520061 -0.13795301 0.35624236 Ni 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