500 Lattice="17.507787881532177 0.0 0.0 0.0 17.507787881532177 0.0 0.0 0.0 17.507787881532177" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2052.6520868190905 stress="-0.01029776290925092 -0.0004647288058896223 -9.202325303033083e-05 -0.0004647288058896223 -0.009920530404898929 0.0007763999794420992 -9.202325303033083e-05 0.0007763999794420992 -0.010062576005255518" free_energy=-2052.6520868190905 pbc="F F F" Ni 0.01565639 0.01759454 0.01048441 0.20075683 0.30906630 0.25991400 Ni 1.76617358 1.73165356 0.01669287 -0.16986689 0.56279321 -0.37948584 Ni 1.74451235 0.02141433 1.71938173 0.31401245 -0.57106272 0.60009190 Ni 0.01845534 1.73718400 1.78397082 -0.43029009 0.52361089 -0.29994808 Ni 3.48452534 0.00486088 0.03201209 0.08819579 -0.11251002 -0.23706049 Ni 5.22915608 1.74582283 0.03390609 0.20063497 0.26383770 -0.51342486 Ni 5.21521279 0.01743156 1.75050483 0.40740121 -0.53089842 0.24721174 Ni 3.50461490 1.75383612 1.74170461 -0.36594716 0.30599772 0.48661163 Ni 6.98976069 0.00397544 0.00795975 0.05584561 0.17617237 0.16831845 Ni 8.77412272 1.75720929 0.00235149 -0.31344920 0.22932259 -0.27857619 Ni 8.78141328 0.01667232 1.73787929 -0.47525276 -0.52806600 0.20885295 Ni 6.97608872 1.73771245 1.75905305 0.38204008 0.35364039 0.10751633 Ni 10.52397488 0.03875713 0.01715366 -0.22699375 -0.40148873 -0.32251815 Ni 12.22704325 1.73614952 0.00213495 0.48451859 0.47533331 -0.31592134 Ni 12.26130803 0.02252113 1.71665289 0.10126732 -0.46665074 0.58234302 Ni 10.48808780 1.72058301 1.74312478 0.27680937 0.63946242 0.21776781 Ni 14.03581457 0.00144533 0.03463806 -0.61946673 0.02889446 -0.19641159 Ni 15.73825391 1.73059179 0.02916503 0.18702788 0.62370786 -0.26148351 Ni 15.75698000 0.01540202 1.71591137 -0.05478555 -0.05813462 0.83005833 Ni 14.02755079 1.77667791 1.72679439 -0.41936096 -0.14016112 0.64326120 Ni 0.01657298 3.53075263 0.03081342 -0.12277258 -0.47091009 -0.02275858 Ni 1.73980637 5.22384687 0.02053829 0.41227139 0.51656560 -0.53955068 Ni 1.74398796 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3.48047751 0.01962579 -0.02447555 0.33885421 -0.32823042 Ni 15.77737785 5.28364070 0.01533124 -0.17332437 -0.23189610 -0.13391704 Ni 15.77672093 3.53305502 1.72478666 0.18327308 -0.19356808 0.39191155 Ni 14.02767130 5.28783283 1.74490569 -0.52553126 -0.59033928 0.29223310 Ni 0.00841711 7.02940690 0.00460841 0.07389442 -0.21986895 -0.10692975 Ni 1.79157693 8.73857500 0.01096102 -0.28465977 0.18621838 -0.40276859 Ni 1.73149778 7.00242984 1.73772130 0.26701326 -0.22784992 0.32759109 Ni 0.02982633 8.73257978 1.73327508 -0.52411437 0.19488535 0.49324735 Ni 3.49285158 7.02952495 0.02525608 0.18919083 -0.41221829 -0.44346886 Ni 5.25070785 8.76227909 0.02423684 -0.01466382 -0.32681790 -0.45880845 Ni 5.28452826 6.98858281 1.76974131 -0.31719433 0.27819707 -0.05002253 Ni 3.48868592 8.72494101 1.77196053 0.34440278 0.33441988 -0.10774883 Ni 7.03532620 6.98054752 0.01137776 -0.40609234 0.24133118 -0.52090770 Ni 8.72306623 8.75697208 0.00639024 0.37106417 -0.10898851 -0.53960209 Ni 8.74123089 7.02239679 1.74662528 0.14806655 -0.32176874 0.44086480 Ni 6.99921825 8.73710167 1.71659598 0.11023539 0.09794705 0.72061482 Ni 10.47321578 6.98789344 0.01749818 0.23582501 0.03003815 -0.38788779 Ni 12.22281754 8.72905580 0.03426863 0.33484442 0.30940227 -0.71306108 Ni 12.24412696 7.03458559 1.73288593 0.11068289 -0.46245534 0.66891840 Ni 10.48614155 8.74351291 1.73112770 0.04118925 0.29608325 0.49801364 Ni 13.99173603 6.97295951 0.03031310 -0.09094518 0.40763693 -0.62007430 Ni 15.77189832 8.76172242 0.01078948 -0.15807138 -0.27094920 -0.10844187 Ni 15.75326163 6.99391610 1.73670199 0.37807252 0.31805842 0.38243095 Ni 14.02628283 8.76375079 1.73407421 -0.30430190 -0.28293517 0.38268869 Ni 0.00726738 10.47104732 0.00220728 0.23579115 0.12060689 0.10045746 Ni 1.73662700 12.28195622 0.00145621 0.65287978 -0.49326686 -0.21694306 Ni 1.73950670 10.48956669 1.77628757 0.25842671 0.40888079 -0.51852487 Ni 0.01450466 12.26948413 1.71663814 -0.31144094 -0.22516289 0.72312789 Ni 3.48731622 10.46758847 0.00785070 -0.05729128 0.38387633 -0.27049503 Ni 5.23255451 12.24831002 0.02450089 0.25988685 -0.00982856 -0.49528312 Ni 5.22711433 10.49389557 1.74043968 0.39920338 0.09791756 0.31316792 Ni 3.53204902 12.23601067 1.75215143 -0.61426034 0.39438335 0.06034489 Ni 7.00801554 10.47846128 0.02976493 -0.21915165 0.34811777 -0.64519566 Ni 8.76958075 12.23357172 0.00626989 -0.12271239 0.29742671 -0.49167572 Ni 8.75628702 10.50464346 1.72431251 0.11791110 -0.13280587 0.70452398 Ni 7.01775037 12.23306032 1.72648892 -0.46132108 0.17050988 0.53963493 Ni 10.48310299 10.50224174 0.01096953 0.35793535 0.01111643 -0.32735526 Ni 12.28039821 12.24040695 0.00876773 -0.16544834 0.25937990 -0.12175886 Ni 12.27939058 10.48485255 1.74114360 -0.49239723 0.25209001 0.20525314 Ni 10.47376723 12.28956287 1.75377467 0.44430026 -0.46332157 0.20362362 Ni 14.02041121 10.51336398 0.01442699 -0.24399669 -0.06216306 -0.47703905 Ni 15.77575866 12.28657371 0.00703509 -0.26137972 -0.17358035 0.16991369 Ni 15.74567767 10.47448213 1.71962260 0.42944022 0.39428351 0.63187090 Ni 13.99909968 12.23110691 1.79454049 0.15499266 0.41129373 -0.37464392 Ni 0.04855085 13.98788411 0.03082700 -0.28157323 0.20035371 -0.28315775 Ni 1.75837747 15.78011863 0.02796591 0.26312965 -0.22217104 -0.07692183 Ni 1.74107817 14.01231753 1.74983972 0.40698067 -0.24682852 0.27624712 Ni 0.00254590 15.78046407 1.72368367 0.12296455 -0.25775547 0.46518102 Ni 3.51975117 14.00592490 0.01162546 -0.32633834 -0.09115061 -0.28741070 Ni 5.24144005 15.77323678 0.01000558 0.01166872 -0.20770660 0.07001217 Ni 5.22117797 14.01640575 1.75404408 0.40104774 -0.24409967 0.23777797 Ni 3.47418141 15.77645302 1.74530442 0.24903652 0.16236901 0.21578662 Ni 7.02733190 13.99320743 0.01674318 -0.29981953 -0.11140192 -0.39645410 Ni 8.77749037 15.76433194 0.03543793 -0.27578323 -0.15877823 -0.15542421 Ni 8.72375797 13.97833391 1.77218923 0.18649541 0.11298264 -0.09060970 Ni 6.98696127 15.74339172 1.72074352 0.20577397 0.21402780 0.52590346 Ni 10.52157242 14.01766554 0.01568843 -0.10030614 -0.35041114 -0.33937194 Ni 12.27202110 15.75798896 0.01313317 0.03856800 -0.07793142 0.16896895 Ni 12.24719416 14.02125197 1.77306389 0.18911506 -0.17726310 -0.00320391 Ni 10.47231949 15.75014353 1.72902802 0.53129912 0.29681260 0.52474472 Ni 14.03044949 14.02923190 0.02997840 -0.53720201 -0.37036657 -0.24130553 Ni 15.73176622 15.78742150 0.03362195 -0.32088477 -0.29305211 0.36527739 Ni 15.73500133 14.00891939 1.73308939 0.35625971 -0.30662121 0.52765512 Ni 13.99973655 15.77307422 1.79558893 -0.26229805 0.16257435 -0.14790103 Ni 0.03299496 0.01673399 3.48867579 -0.17829173 -0.22049577 0.18590094 Ni 1.72908844 1.71828948 3.49072727 0.62320923 0.70887427 0.12107565 Ni 1.73597822 0.03042282 5.27369538 0.36089480 -0.65062339 -0.49899582 Ni 0.03082252 1.76521881 5.28552093 -0.52369420 0.10076352 -0.54794967 Ni 3.52008019 0.01876789 3.49714939 -0.45722507 -0.52797558 -0.03868511 Ni 5.21750268 1.77093245 3.47573920 0.62528086 0.24117282 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15.75062972 0.44657504 0.18299495 0.23887586 Ni 10.52986200 0.03153033 13.99819507 -0.16452058 -0.39566311 -0.21137798 Ni 12.22561586 1.76229690 13.96299025 0.58787341 0.29277676 0.40543848 Ni 12.22571836 0.01334277 15.76449256 0.31930798 0.08484713 -0.23116303 Ni 10.52828162 1.76096182 15.76175144 -0.24051854 0.24094140 0.19512589 Ni 14.01415855 0.01546531 13.97821898 -0.39262824 -0.25301261 0.12021726 Ni 15.72779286 1.71466895 14.02396836 0.46724622 0.48438929 -0.07643510 Ni 15.74306405 0.00104168 15.78923998 -0.43008604 0.33139045 -0.43826938 Ni 14.00092966 1.73433930 15.78330919 -0.46824403 0.25885466 -0.02264993 Ni 0.00226269 3.48988361 13.95812925 -0.29506942 0.14075950 0.23125734 Ni 1.74908011 5.22449692 14.03594775 0.23709111 0.23988157 -0.59628551 Ni 1.75936717 3.48340752 15.75062167 0.04654842 0.13786106 0.35145336 Ni 0.02153282 5.25054511 15.73212644 -0.00352478 -0.07735513 0.03396797 Ni 3.50944869 3.49152386 14.00051535 -0.52523164 0.16841125 -0.07199328 Ni 5.23198902 5.21758642 14.02945694 0.19779304 0.40864130 -0.15534656 Ni 5.22512977 3.52263832 15.76576523 0.24062377 -0.11581672 0.46263452 Ni 3.46213591 5.23783249 15.77458285 0.25389809 0.27513326 0.25010932 Ni 7.03059607 3.49063248 14.04110429 -0.50883277 0.25204463 -0.38597829 Ni 8.74354640 5.27981744 13.95147923 0.05227528 -0.18332411 0.49176209 Ni 8.74846764 3.50110337 15.73483231 0.12667480 -0.06203144 0.43401466 Ni 7.03762115 5.28267427 15.78138880 -0.31221440 -0.37827647 0.18563776 Ni 10.50596142 3.50931548 14.01055967 -0.04602969 -0.10607247 -0.12833250 Ni 12.23969103 5.23234133 14.02915583 0.37348864 0.22042210 -0.47273297 Ni 12.22605364 3.52521755 15.78756510 0.50650977 -0.33755557 0.08546913 Ni 10.49768216 5.23138259 15.74549200 -0.18023683 0.37210844 0.36576920 Ni 14.03236024 3.48770687 14.01004919 -0.72365672 0.12300714 -0.04068486 Ni 15.76129020 5.24542373 14.02474389 0.19095872 0.19005089 -0.28851026 Ni 15.70543618 3.50994381 15.75917283 0.17638398 -0.19945983 0.07248397 Ni 14.00830856 5.26872844 15.76369594 -0.34370826 -0.25502303 0.24606872 Ni 0.00692013 7.02556509 14.03172175 -0.13565453 -0.19028620 -0.32340269 Ni 1.74454838 8.77596808 13.97347112 0.20407883 -0.31556571 0.42059672 Ni 1.76156811 7.03216696 15.76398924 0.03671926 -0.08609314 0.21180761 Ni 0.00360492 8.76473206 15.74773929 0.17327783 0.13204015 -0.06483772 Ni 3.46795268 6.99849831 14.01140354 0.27928842 0.03410583 -0.26041369 Ni 5.27385366 8.76928124 14.03289305 -0.25250540 -0.22788558 -0.65295331 Ni 5.26733332 7.03272501 15.74409588 -0.29605270 -0.50809310 0.44184480 Ni 3.53037524 8.73988674 15.75984663 -0.31676746 0.26645521 0.27994984 Ni 6.97740892 6.97955541 14.03976438 0.28669569 0.35685339 -0.74556457 Ni 8.77849299 8.73508942 14.04349141 -0.44550318 0.17693382 -0.43183310 Ni 8.75222992 7.00306925 15.76698459 0.16833088 0.03475505 0.30836018 Ni 7.00629970 8.76198206 15.76350710 0.17020372 0.08146105 0.33964958 Ni 10.47851317 7.00158273 14.01413810 0.40597073 -0.08644015 -0.12432266 Ni 12.22045232 8.72668081 14.01470581 0.39769600 0.48138990 -0.29980808 Ni 12.27989026 7.00694192 15.73654344 -0.41780627 -0.13146058 0.59750446 Ni 10.52878214 8.77046132 15.77008089 -0.12113305 -0.23036650 0.43305633 Ni 13.97155866 6.99082354 14.02584128 0.30933129 0.06625492 -0.47203584 Ni 15.73896658 8.72289073 13.99012731 0.12817718 0.37340132 0.31173237 Ni 15.74571888 6.98086154 15.77215328 -0.16621049 0.26532006 -0.18158695 Ni 13.98214164 8.78164921 15.76065804 0.08719699 -0.04204439 0.09768436 Ni 0.00602658 10.53443393 14.01921738 -0.21396197 -0.29431069 -0.29445625 Ni 1.73550403 12.28765154 14.00334175 0.58669909 -0.52085712 -0.32384031 Ni 1.76138113 10.53065813 15.76977788 0.09340686 -0.35778652 0.10732798 Ni 0.03468449 12.28114006 15.73541638 -0.30789384 -0.23741506 0.25504124 Ni 3.50468640 10.47531048 14.01968223 -0.08121707 0.36539256 -0.18931168 Ni 5.28207530 12.22268181 14.02438023 -0.26410436 0.69478961 -0.35707758 Ni 5.27178866 10.53331981 15.75438598 -0.11559147 -0.23610450 0.52371763 Ni 3.48955847 12.23629080 15.73248990 0.10093007 0.28042193 0.36094164 Ni 6.98702583 10.50152924 14.00774160 0.61058072 -0.01806972 -0.13676706 Ni 8.74677000 12.26261337 14.01425586 0.05543092 -0.37998794 -0.46347536 Ni 8.78434453 10.51975935 15.75685751 -0.30352076 -0.10088831 0.32894342 Ni 7.02991871 12.26946678 15.75249411 -0.16948271 -0.01390691 0.36187360 Ni 10.49288932 10.48727261 14.02104281 0.25935413 0.25972208 -0.40411561 Ni 12.22271156 12.25864086 14.02142134 0.12169623 -0.08013556 -0.64106318 Ni 12.24608756 10.53418167 15.75505705 0.13837985 -0.29499604 0.24775609 Ni 10.52382918 12.25862956 15.78909002 -0.18241361 -0.02074490 0.13465726 Ni 14.01096215 10.52882007 13.99545272 -0.24741280 -0.28721163 0.06197008 Ni 15.77027082 12.26467680 14.02999022 0.14641214 -0.03291755 -0.31743490 Ni 15.77142228 10.52571833 15.76967015 -0.33378673 -0.12799348 -0.27853683 Ni 13.96666166 12.27088521 15.73229401 0.31142366 -0.13753292 0.49343924 Ni 0.03396914 13.99105088 14.01626549 -0.48714562 0.34793549 -0.49800967 Ni 1.75732058 15.77717133 14.04242363 0.06019899 -0.05824041 -0.40201847 Ni 1.73025578 13.98419760 15.75333286 0.62475235 0.30487258 0.34143072 Ni 0.00490913 15.78843977 15.76197889 0.41895978 -0.54515350 -0.43744857 Ni 3.51458422 13.97496347 13.97456144 -0.15674257 0.16781861 0.37916905 Ni 5.23249165 15.74519032 13.98094921 0.17170938 0.15743784 0.17126536 Ni 5.23383954 13.99303908 15.75753865 0.16802796 -0.21088366 0.06347050 Ni 3.50655536 15.73743233 15.75099304 -0.06518958 -0.17497612 -0.10047613 Ni 7.03667452 14.02374613 13.99370576 -0.60387597 -0.41060173 0.09031286 Ni 8.72533682 15.77970451 14.03674690 0.20758435 0.17735797 -0.26575034 Ni 8.78603367 13.96546981 15.72902921 -0.15141909 0.36074875 0.56073378 Ni 7.00072822 15.72573897 15.79123563 -0.08139554 -0.20749028 -0.22530641 Ni 10.47183126 13.98212266 13.97745406 0.52772315 0.28554649 0.14927369 Ni 12.26767856 15.76498736 14.00154976 -0.11968932 -0.01849244 -0.28286985 Ni 12.24690768 13.99143880 15.76556410 -0.16363102 0.25349347 0.14912298 Ni 10.49514091 15.77804090 15.73920040 0.10003981 -0.31904777 -0.18239684 Ni 13.97661154 13.98548700 14.02047628 0.20082016 0.25518653 -0.33963974 Ni 15.72050653 15.76507207 13.99559132 -0.12049625 -0.20229869 -0.15668223 Ni 15.76125441 14.01941625 15.76077844 -0.30313130 -0.27273786 -0.22874003 Ni 13.99798460 15.76139839 15.75607646 -0.28638741 -0.25525738 -0.14914340