500 Lattice="17.46584913422055 0.0 0.0 0.0 17.46584913422055 0.0 0.0 0.0 17.46584913422055" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2040.9653595250468 stress="-0.007725271026901119 3.285182327520618e-06 0.00015219509740240617 3.285182327520618e-06 -0.007700963740745794 0.00011806590050509508 0.00015219509740240617 0.00011806590050509508 -0.007211686642153662" free_energy=-2040.9653595250468 pbc="F F F" Ni 0.01327714 0.00020568 0.02766573 0.54166768 0.56167364 0.51075438 Ni 1.73873294 1.74290175 0.00032958 0.11242778 -0.08608533 -0.20785358 Ni 1.72720213 0.02328689 1.75126107 0.27316841 -0.46719306 -0.25085966 Ni 0.03330292 1.71827892 1.74906787 -0.61870452 0.12703596 -0.26766572 Ni 3.51568532 0.01427689 0.03080939 -0.25031620 0.14631157 0.16247621 Ni 5.23337638 1.73129784 0.02113807 0.16114747 0.14335391 -0.40615036 Ni 5.21405993 0.02058777 1.76780621 0.41129083 -0.47238712 -0.27592091 Ni 3.51061581 1.75685393 1.72813666 -0.44469662 0.23064005 0.19548371 Ni 7.00859331 0.04109981 0.01588417 -0.22616467 -0.09734904 0.25432710 Ni 8.69989726 1.71508742 0.02003077 0.28789639 0.47093271 -0.24558647 Ni 8.76505100 0.00440231 1.76227213 -0.33941663 -0.25696310 0.01416781 Ni 6.98022392 1.74777289 1.73185891 0.32017549 0.04418973 0.31843166 Ni 10.44653355 0.01727763 0.00884881 0.19331372 0.32351353 0.31008660 Ni 12.25500304 1.71713445 0.01348180 -0.42319039 0.26209244 -0.19255572 Ni 12.19802261 0.00685257 1.76266421 0.11862402 -0.12328199 -0.22643717 Ni 10.44701619 1.78000370 1.76936386 0.50562059 -0.39511891 -0.57233024 Ni 13.93980509 0.01646059 0.01690448 0.35485209 0.29526413 0.53277403 Ni 15.70291645 1.76061184 0.00750713 -0.49859896 -0.08902427 0.49666593 Ni 15.74791817 0.02627260 1.76726438 -0.55431211 0.36966332 -0.32575898 Ni 13.95478937 1.77080508 1.75262636 0.25716004 -0.20274008 0.01116229 Ni 0.00216304 3.46492854 0.02623127 0.17366408 0.15206287 0.16372402 Ni 1.77241748 5.24277412 0.00512330 -0.45197431 -0.06048328 -0.40249574 Ni 1.71326813 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3.52655066 0.01925925 0.11935260 -0.21369330 -0.20209021 Ni 15.73200047 5.22846600 0.02474662 -0.28207761 0.07911375 0.17256067 Ni 15.73269183 3.51668530 1.74094689 0.03356209 -0.28126456 -0.00115630 Ni 13.97274746 5.27403210 1.77202676 -0.22381264 -0.37852999 -0.27285518 Ni 0.00513492 6.97373038 0.01529276 0.23071198 0.05289774 0.05919983 Ni 1.74437707 8.74682306 0.02232141 0.18323238 -0.21363189 -0.41359604 Ni 1.72153374 6.99775155 1.72758185 0.39780589 0.16922009 0.17666184 Ni 0.01219161 8.72344138 1.71918882 -0.28132643 0.06787565 0.10316174 Ni 3.50218002 6.95269322 0.03360634 0.02188563 0.34296064 -0.36752870 Ni 5.25498772 8.70003455 0.02860952 -0.37473184 0.20889706 -0.48786006 Ni 5.26614893 6.97845965 1.77514877 -0.37537287 -0.18748213 -0.25072092 Ni 3.52624367 8.74948175 1.71527375 -0.39174241 -0.19093184 0.41156077 Ni 6.98961300 7.01685840 0.01317673 -0.02320942 -0.34476640 -0.30135369 Ni 8.73194700 8.74313931 0.02957787 -0.09559096 -0.17460468 -0.44763952 Ni 8.74195491 6.96354539 1.71471025 -0.06031754 0.42190728 0.56263557 Ni 6.95325269 8.75370174 1.73565761 0.66019000 -0.33376337 0.54962818 Ni 10.47873428 7.00116029 0.00147446 0.12533288 -0.20638427 -0.26390774 Ni 12.22428108 8.71474365 0.02497705 0.14731680 0.18244595 -0.43013949 Ni 12.21432599 7.00640872 1.76283869 0.15514875 -0.52890499 -0.30018880 Ni 10.49171475 8.72703848 1.72907339 -0.12945070 0.08322061 0.22282028 Ni 14.00970223 7.00121641 0.00465354 -0.20657183 -0.22146800 -0.28774503 Ni 15.70793049 8.74952526 0.02965154 -0.25112378 0.03998366 0.21999015 Ni 15.69629017 6.96129008 1.74257209 0.38907628 0.30313224 0.15430931 Ni 13.95271645 8.69874027 1.74114906 0.29952474 0.32182153 0.13462366 Ni 0.01740539 10.43781149 0.01416359 0.14420622 0.22670426 0.05450247 Ni 1.74787128 12.23794475 0.00432552 -0.01809375 -0.00095546 -0.24513206 Ni 1.76421636 10.50894605 1.71326672 0.02393798 -0.29350553 0.27195633 Ni 0.01052092 12.19119920 1.71694005 -0.33692895 0.20642439 0.05099165 Ni 3.48321416 10.51252208 0.01186285 0.27893601 -0.09879765 -0.25729594 Ni 5.26042915 12.21685721 0.01409013 -0.25296366 0.16066222 -0.25328697 Ni 5.25362498 10.49451758 1.75490355 -0.19253792 -0.07080626 -0.05445488 Ni 3.51723700 12.26010111 1.77898453 -0.26615971 -0.16481487 -0.46773295 Ni 6.95229172 10.44407736 0.03129692 0.28202506 0.37217972 -0.39494285 Ni 8.70069874 12.21707583 0.02801375 0.03613979 0.05443750 -0.17527397 Ni 8.75558534 10.45709406 1.72914713 -0.46341617 0.23930976 0.38748304 Ni 6.96097801 12.26295304 1.77330495 0.36945652 -0.55064519 0.03125435 Ni 10.45945834 10.45087736 0.00784314 0.27927930 0.36894031 -0.22871837 Ni 12.19624556 12.23883201 0.00676155 0.14219971 -0.07208671 -0.07833575 Ni 12.25092644 10.50202995 1.73026192 -0.32716415 -0.17952113 0.17984038 Ni 10.44545280 12.25077952 1.77610293 0.31067904 -0.18860469 -0.35140181 Ni 13.95480030 10.51403354 0.01129280 0.20792925 -0.21603247 -0.26856401 Ni 15.74436275 12.20395241 0.01593582 -0.44646457 0.08127020 0.37373449 Ni 15.69080399 10.46770310 1.75504397 0.21986925 -0.04414402 -0.14605029 Ni 13.97127467 12.20855081 1.77561326 0.13993347 0.31872527 -0.49031453 Ni 0.01879015 13.94310483 0.00068921 0.43302498 0.25025444 0.44980254 Ni 1.74753918 15.74183070 0.02203095 -0.20960844 -0.54704822 0.34859133 Ni 1.73657883 13.94937426 1.78129316 -0.11230549 0.28032462 -0.47990892 Ni 0.02675197 15.69460013 1.74778212 0.39383126 -0.39382526 0.01027751 Ni 3.46193001 13.98848386 0.02468862 0.23573397 -0.07651302 -0.26811297 Ni 5.27462767 15.71071244 0.04115988 -0.25121945 -0.15487653 0.06328595 Ni 5.25797069 13.97365100 1.74616465 -0.40201292 0.15262771 0.18018576 Ni 3.47139981 15.70741057 1.71442081 0.19118828 0.24643973 0.29266215 Ni 6.96088164 13.97430268 0.01415259 0.20232345 0.03754594 -0.32651038 Ni 8.70090639 15.68703220 0.00522471 0.00555233 -0.30461408 0.28964946 Ni 8.67804387 13.98412211 1.77447311 0.34261882 -0.19228361 -0.30253433 Ni 6.95738831 15.71821370 1.77264665 0.15088803 0.33005234 -0.17357945 Ni 10.49159182 13.94211045 0.01112727 -0.37586143 0.28705545 -0.19303702 Ni 12.25259454 15.70137855 0.03990465 -0.24413095 -0.13634027 -0.09361348 Ni 12.21273312 13.99434595 1.75064519 0.17023757 -0.31621205 -0.08393466 Ni 10.44993068 15.69056635 1.71342323 0.06081347 0.32075491 0.09388431 Ni 13.97036480 13.96944603 0.01764024 0.17764565 -0.21764575 -0.22124651 Ni 15.68512066 15.70877066 0.00809622 -0.56466199 -0.54429288 0.53251271 Ni 15.72431704 13.97392183 1.71588265 0.05164763 0.20555365 0.11135845 Ni 13.94478583 15.70503773 1.71724802 0.51865618 0.22713555 0.40297596 Ni 0.00296399 0.01234485 3.47934848 0.16772785 0.11316108 0.11973354 Ni 1.72065319 1.73298840 3.46063365 0.57697798 0.18452291 0.24136457 Ni 1.72544142 0.02582220 5.26451300 0.20648239 -0.51003513 -0.29013241 Ni 0.03458142 1.73591273 5.23846204 -0.56225340 -0.12151508 -0.03589367 Ni 3.51200448 0.02133465 3.47660486 -0.31123136 -0.23551268 0.21720873 Ni 5.25967464 1.73738275 3.45962628 -0.28800982 0.28076764 0.46814896 Ni 5.25467636 0.01411693 5.25219708 -0.22217286 -0.21499271 0.04566516 Ni 3.46283969 1.72507995 5.24294582 0.33993429 0.33391297 -0.17142342 Ni 6.97173681 0.02823782 3.52677127 0.21562996 -0.32399609 -0.37223429 Ni 8.75626099 1.74315396 3.49460598 -0.58578924 0.18077580 0.12203277 Ni 8.74245656 0.01565115 5.21605384 -0.08929728 -0.16439725 0.23427289 Ni 6.96178718 1.74463319 5.25936929 0.61176318 0.24240101 -0.04338131 Ni 10.49438982 0.03342647 3.47839076 -0.20844660 -0.55325334 0.16138641 Ni 12.19775576 1.72008716 3.52276827 0.54029088 0.51748544 -0.49954838 Ni 12.20243233 0.01132739 5.23251272 0.14687710 -0.30429637 0.20349302 Ni 10.49615178 1.75433200 5.23986776 -0.24010859 0.05969780 0.22018826 Ni 13.98975414 0.00154446 3.47448389 -0.13394826 -0.17463419 0.12235233 Ni 15.69566545 1.72057606 3.46862693 0.26342898 0.39047538 0.23529800 Ni 15.74478020 0.03021920 5.22244732 -0.43251697 0.27947450 0.03351674 Ni 13.94468381 1.75742661 5.24164458 0.41224428 -0.14282581 -0.13004327 Ni 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12.23979792 3.46762172 5.25106447 -0.20533728 0.46417702 -0.28974791 Ni 10.45578771 5.23665912 5.24975860 0.28577496 0.10967929 -0.39769252 Ni 13.99855693 3.51622330 3.53286258 -0.38570646 -0.24497594 -0.36108581 Ni 15.70441054 5.22032568 3.47255550 0.39551137 0.19754828 0.30768455 Ni 15.74459785 3.50490279 5.26794508 -0.01204194 -0.13025700 -0.25162283 Ni 13.97262043 5.25978184 5.26770914 0.11040154 -0.22559915 -0.18969225 Ni 0.00883779 7.01438004 3.47142084 -0.10470362 -0.14269274 0.23719729 Ni 1.73719521 8.76844042 3.51242089 0.36590489 -0.28631167 -0.43868698 Ni 1.76401669 6.99066710 5.26597841 -0.29698995 0.00574667 -0.40173076 Ni 0.01146071 8.74016152 5.22337974 -0.22713110 -0.08256765 0.21572552 Ni 3.46444154 6.98678706 3.49182986 0.17987395 0.27816103 -0.21129385 Ni 5.25790300 8.72327927 3.46252615 -0.39110137 0.11526103 0.44907975 Ni 5.20772283 6.99112125 5.24409819 0.29459529 0.18489407 0.01623615 Ni 3.46408744 8.73433226 5.24294606 0.47823170 0.30496919 -0.27207680 Ni 6.97542432 6.96055043 3.49773751 0.31782755 0.39145510 0.11330281 Ni 8.75336553 8.74469428 3.51410521 -0.24731413 -0.24682392 -0.54906355 Ni 8.74299903 7.00522270 5.23507506 -0.01909271 -0.32636326 -0.18880925 Ni 6.98385837 8.73540880 5.22219996 -0.32175959 -0.20931292 0.31001198 Ni 10.47953237 7.00541956 3.46445611 -0.19869659 -0.40135906 0.21197994 Ni 12.22585873 8.71530041 3.46157866 0.03016310 0.27054775 0.24742847 Ni 12.23258525 6.95458419 5.21724225 -0.30684698 0.27449865 0.34696129 Ni 10.51014789 8.73292387 5.22078190 -0.08856125 -0.13724096 0.13229538 Ni 13.95140687 6.95940575 3.52425340 0.29067902 0.23295375 -0.31672348 Ni 15.70221229 8.74769385 3.50100057 0.23216585 -0.41463665 -0.21582161 Ni 15.72411186 6.97338167 5.23126116 0.10550056 0.07944762 0.12310236 Ni 13.94474708 8.72615908 5.20912237 0.30327670 -0.14163986 0.36384622 Ni 0.02365310 10.44620260 3.44436031 -0.39457367 0.28685577 0.25558460 Ni 1.73134892 12.19826047 3.49108251 0.17124829 0.13401486 0.13363712 Ni 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15.71397078 0.16383611 -0.11607065 0.27691262 Ni 10.50297181 0.01080015 13.96033906 -0.35419032 -0.26926221 0.34885348 Ni 12.19472173 1.69181584 13.97614719 0.39985000 0.50553081 0.12405309 Ni 12.25795070 0.00275067 15.72530616 -0.05767167 0.25148257 -0.29700508 Ni 10.51431125 1.77632350 15.74846321 -0.44830629 -0.58480846 0.05443588 Ni 14.00577749 0.02579283 13.96958085 -0.05645177 -0.44581483 0.18940212 Ni 15.71472048 1.75557931 13.99477568 0.28653355 -0.17640489 0.07051773 Ni 15.71270360 0.00096550 15.74206681 -0.63606076 0.64245372 -0.67755498 Ni 13.99124651 1.72695407 15.70182581 -0.05089121 0.17142462 0.20888316 Ni 0.02049581 3.48316706 13.96570499 -0.40119230 0.15540888 0.11551666 Ni 1.76109616 5.26796131 13.94232879 -0.11864781 -0.27801861 0.46730561 Ni 1.70261249 3.48431085 15.74370803 0.36412237 0.17225681 -0.06321536 Ni 0.02770935 5.26635075 15.68604134 0.14813826 -0.17070149 -0.18837282 Ni 3.46351046 3.45988306 13.94570448 0.25342198 0.20788328 0.59917047 Ni 5.21231546 5.24376901 13.97433523 -0.04322524 -0.24391177 0.12015093 Ni 5.27125019 3.54091247 15.73454608 -0.38031112 -0.24790227 0.12969638 Ni 3.47389162 5.22472550 15.74908563 0.02284765 -0.14070713 -0.13058191 Ni 6.96436900 3.52507830 13.98749390 0.24971801 -0.16393559 -0.29254349 Ni 8.72161483 5.27289734 13.94107583 0.29375890 -0.23720148 0.23128636 Ni 8.75222132 3.50409880 15.72543490 -0.22552432 -0.09523406 0.02267072 Ni 6.99447960 5.25064141 15.69849174 0.03131636 0.07269750 0.38880206 Ni 10.46318182 3.47027158 13.98845590 -0.06417238 0.14239346 -0.33601759 Ni 12.22826459 5.20551345 13.94316286 -0.35267661 0.31436357 0.68988171 Ni 12.19278441 3.47150487 15.70232177 0.50442730 0.13098795 0.13360643 Ni 10.46078974 5.22596841 15.73939609 0.12528856 0.27529290 -0.10560341 Ni 13.97838844 3.49633152 13.94023688 -0.14825254 -0.43279011 0.65435705 Ni 15.69036975 5.23336753 13.94498726 0.29702099 0.11899324 0.39787147 Ni 15.68883443 3.52458205 15.73955720 -0.26898330 -0.14068318 -0.42653700 Ni 13.95520317 5.21717805 15.70687860 -0.04204502 0.23444445 0.10777161 Ni 0.02535687 7.00822705 14.00081085 -0.22998280 -0.06839002 -0.20532009 Ni 1.73889122 8.75759252 13.99677233 0.12159410 -0.21658275 -0.18785693 Ni 1.77123960 6.95244125 15.72991868 -0.10426998 0.25404947 0.09412182 Ni 0.03223120 8.73317240 15.70934686 0.10610705 -0.03407005 -0.14002865 Ni 3.50696061 6.97766578 13.94078106 -0.27020807 0.13395106 0.41823061 Ni 5.25610088 8.73867175 13.96218630 -0.38694341 -0.10237909 0.09457918 Ni 5.21048609 6.98815182 15.71021668 0.08338532 -0.11016031 0.24568825 Ni 3.47676759 8.70046146 15.70111008 0.05767535 0.22848938 0.22027456 Ni 6.95169891 6.95752879 13.97542471 0.11639972 0.37511073 -0.16058077 Ni 8.74115538 8.72865035 13.95589720 -0.15064788 0.14917007 0.04269661 Ni 8.70251337 7.00738684 15.72296750 0.31821849 -0.33435163 0.08361170 Ni 7.00206835 8.68823765 15.70125256 -0.24907464 0.30831641 0.26707982 Ni 10.50014168 7.01178248 13.99247832 -0.31591800 -0.56993096 -0.09347060 Ni 12.19373704 8.72118797 13.97593552 0.49971965 0.30482640 0.19273952 Ni 12.20693787 7.01837970 15.73717646 0.00073247 -0.45668045 0.07381005 Ni 10.42807133 8.73730557 15.71921847 0.27069943 0.18309251 0.22798251 Ni 13.94218937 6.96140647 13.94951908 0.22025883 0.35937116 0.37512211 Ni 15.69462219 8.74423539 13.97701946 0.12592808 -0.15951146 -0.13066700 Ni 15.68787156 7.01311481 15.69392624 -0.27569584 -0.25168544 -0.31067454 Ni 13.94515470 8.69169195 15.74533740 0.10150867 0.36667340 -0.07193598 Ni 0.02542356 10.50697514 13.95182810 -0.24788991 -0.08150257 0.32183648 Ni 1.76267893 12.25239373 13.99521635 -0.16631088 -0.35292763 -0.17630541 Ni 1.71719047 10.46371043 15.75084763 0.03977272 0.21211035 0.12333592 Ni 0.00462176 12.25019905 15.70234378 0.31444040 -0.07231852 -0.16754417 Ni 3.45927208 10.48874831 13.99557959 0.32043776 -0.12373267 -0.36362051 Ni 5.25851609 12.22421892 13.94088522 -0.23461359 -0.14873775 0.29945381 Ni 5.23221638 10.45725486 15.72196262 0.10338112 0.07947289 0.08894777 Ni 3.47642494 12.18881790 15.71984590 0.13216511 0.13619212 0.33934614 Ni 6.97748102 10.45816878 13.98351948 0.24243615 0.22225424 -0.14369577 Ni 8.72707356 12.22942240 13.95160434 0.05253243 -0.30759459 0.04686549 Ni 8.71286889 10.47299561 15.70907405 0.11004870 0.08606396 0.08225425 Ni 7.00045427 12.24135904 15.69486186 -0.17663278 -0.15384198 0.25703718 Ni 10.51120383 10.49927239 13.94785540 -0.69385488 -0.31005492 0.40600896 Ni 12.21095243 12.19794243 13.95799135 0.32326232 0.51160247 0.32567159 Ni 12.20197735 10.50145520 15.69626863 0.25425482 -0.26084529 0.29872616 Ni 10.46272950 12.22809423 15.72273720 -0.10951580 0.04266237 0.09717628 Ni 13.98784939 10.44927868 13.96502463 -0.24818925 0.18419982 0.25533088 Ni 15.70168244 12.18720444 13.96675785 0.15602328 0.17595805 0.23308238 Ni 15.69313436 10.46234018 15.72698227 -0.38814566 0.02339740 -0.26261148 Ni 13.96331981 12.25723352 15.72135581 0.11876291 -0.35002894 0.07947416 Ni 0.03409995 13.95214252 13.98034334 -0.22233599 0.35955427 0.12273694 Ni 1.75569509 15.74298613 13.95276695 -0.12455642 -0.11831156 0.46750258 Ni 1.76089760 13.98934789 15.74369162 -0.19908782 0.22002591 0.11321917 Ni 0.00898538 15.70431571 15.72537695 0.72602693 -0.70415641 -0.75996694 Ni 3.47344214 13.94707001 14.00747039 0.13118563 0.23073784 -0.40749158 Ni 5.21352260 15.66982125 13.94792844 0.21621115 0.17883274 0.32793753 Ni 5.21735975 13.94072996 15.69976823 0.18559144 0.13174996 0.19994994 Ni 3.51619250 15.71329616 15.74828918 -0.10001173 -0.33772273 -0.48336585 Ni 7.01869864 13.95463792 13.94919842 -0.37316478 0.15729241 0.11059206 Ni 8.73791568 15.70213246 14.00662471 -0.07884205 0.31196339 -0.32286892 Ni 8.71009372 13.98791756 15.72987108 0.22811342 -0.14384644 0.16037541 Ni 6.97597696 15.68744844 15.69513126 -0.20331243 -0.24213321 -0.25987838 Ni 10.46346917 13.94822337 13.95462308 0.37551971 0.32310836 0.27175397 Ni 12.22519053 15.74889962 13.99766202 -0.14477349 -0.14631387 -0.13280904 Ni 12.21669879 13.95970488 15.70952096 -0.11946921 0.28301076 0.11257765 Ni 10.44919620 15.71416152 15.71148421 0.20230674 -0.37820057 -0.25388239 Ni 13.95754478 13.97444693 14.00019914 0.27796011 0.27665324 -0.05714375 Ni 15.73940969 15.74315855 13.97895427 -0.61459746 -0.56266683 0.14955988 Ni 15.73438530 13.94137182 15.69451730 -0.48089176 0.26094243 -0.49750114 Ni 13.96918913 15.74287370 15.71420307 0.16036155 -0.63064638 -0.48763500