256 Lattice="14.476178009000671 0.0 0.0 0.0 14.476178009000671 0.0 0.0 0.0 14.476178009000671" Properties=species:S:1:pos:R:3:forces:R:3 energy=-738.6507913177508 stress="-0.0053322359934849005 -0.00026576952024411424 -0.00013109771469757464 -0.00026576952024411424 -0.005905590593197209 -0.00037902662497717247 -0.00013109771469757464 -0.00037902662497717247 -0.006068367830976534" free_energy=-738.6507913177508 pbc="F F F" Ni 0.02587709 0.02079225 0.01683948 -0.45259179 -0.43895243 -0.43001202 Ni 1.82216734 1.80342406 0.02093634 0.48999698 0.84588810 -1.03141842 Ni 1.82493509 0.00482122 1.79778011 0.25530455 -0.80791069 1.01020669 Ni 0.03224882 1.84024228 1.78572034 -0.89857047 0.40049403 0.95172811 Ni 3.59309227 0.01803259 0.03242349 0.21269231 -0.85558486 -1.04199139 Ni 5.41961655 1.82179963 0.00448139 0.16061513 0.59392097 -0.91133068 Ni 5.41134441 0.03049731 1.77500344 0.49189282 -0.96798104 0.95772671 Ni 3.65498256 1.77336962 1.77880914 -0.58102192 1.70880111 1.45170194 Ni 7.22777459 0.02792624 0.01229033 0.12353501 -0.43487557 -0.43308566 Ni 9.06903067 1.79995221 0.01459786 -0.50666829 0.99845001 -0.76621177 Ni 9.06198131 0.01554892 1.81621276 -0.28622504 -0.86968337 0.68711092 Ni 7.26302344 1.84475440 1.84308938 -0.21273132 0.24437262 0.21496028 Ni 10.82617808 0.03242470 0.02902322 -0.11978072 -0.78796391 -0.73085543 Ni 12.69013311 1.78629910 0.00546101 0.54372928 0.41263453 -0.73573967 Ni 12.69433865 0.00812577 1.78358625 0.39703742 -0.60587838 0.68597349 Ni 10.85052098 1.81652745 1.83524912 -0.59813251 0.80089568 0.78155576 Ni 0.00923891 3.64140911 0.02557465 -0.56832825 0.00508201 -0.77827865 Ni 1.84010394 5.41004347 0.03576813 0.34612018 0.34675888 -1.01919104 Ni 1.82122199 3.64504745 1.78658238 0.90617671 -0.47005986 1.29983407 Ni 0.01651006 5.43762890 1.80459360 -0.95853292 -0.14580429 0.59549691 Ni 3.59703949 3.61758925 0.00690822 0.38398288 -0.16632386 -0.73474623 Ni 5.42509423 5.40693346 0.01946725 0.13314926 0.33775661 -0.73404230 Ni 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7.23569109 0.01827591 0.19526015 -0.21618577 -0.81248080 Ni 5.41219932 9.03673956 0.00838797 -0.11882213 0.25955440 -0.66388619 Ni 5.40530433 7.23937630 1.77771364 0.51475920 -0.23810590 1.28122134 Ni 3.59014588 9.03287211 1.77912821 0.29755222 0.26029289 1.20556441 Ni 7.23675911 7.27395201 0.02675270 -0.04603998 -0.52377730 -0.56626206 Ni 9.07326167 9.01222659 0.03582756 -0.34659468 0.41402967 -0.84847733 Ni 9.05506138 7.23674972 1.80011095 -0.27194708 -0.30102284 1.11660883 Ni 7.21607674 9.06971470 1.79236037 0.19890630 -0.44394079 1.29612673 Ni 10.87777121 7.22855524 0.01545932 -0.82885088 -0.39059953 -0.88843091 Ni 12.66535220 9.01827044 0.01462563 0.69411396 0.13190627 -0.64796064 Ni 12.67917082 7.22033253 1.78724236 0.65310271 -0.07662531 1.11496166 Ni 10.86043958 9.00137790 1.78131160 -0.59233148 0.53042549 1.42698228 Ni 0.02925537 10.89194577 0.02417734 -0.68933508 -0.71576751 -0.86790366 Ni 1.83420432 12.66814366 0.00987548 0.29312010 0.83350297 -0.83383522 Ni 1.81396298 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0.02039227 0.03440103 3.65072214 -0.67104773 -0.65974029 -0.42565980 Ni 1.78562734 1.82879664 3.63793297 1.31330325 0.61344018 -0.55980198 Ni 1.77506489 0.00053623 5.44210214 1.24505589 -0.74761684 -0.12435569 Ni 0.01889406 1.81296066 5.41490753 -0.90468690 0.92994618 0.46094245 Ni 3.60735356 0.02960279 3.60246916 -0.00051947 -0.66867558 0.24200390 Ni 5.43847326 1.79498787 3.59857793 -0.13346293 1.11113349 0.45367171 Ni 5.41525548 0.01419733 5.43135143 0.07283526 -0.54204750 -0.00783976 Ni 3.62375828 1.78494567 5.42535958 0.04527087 1.13891519 0.24433985 Ni 7.24845336 0.02681012 3.62238359 -0.34405947 -0.68049604 -0.17081312 Ni 9.05727057 1.79413332 3.59891532 0.01642840 1.29201932 0.44248553 Ni 8.99597456 0.02850054 5.41408690 0.39276041 -0.65539675 0.52844799 Ni 7.24584854 1.80946126 5.44931553 -0.27765092 0.84106955 -0.32420426 Ni 10.86917060 0.00915626 3.64809532 -0.55262848 -0.94723832 -0.12341953 Ni 12.64412304 1.79979419 3.62617168 0.79882857 0.69503037 -0.14733391 Ni 12.68660053 0.02716864 5.47178463 0.58961693 -0.63682975 -0.17072411 Ni 10.86463124 1.79255718 5.41491948 -1.10999364 0.91509344 0.32266548 Ni 0.00046353 3.62207186 3.63784673 -0.70124487 0.08887618 -0.31294642 Ni 1.79952939 5.39681883 3.58585833 1.25408137 0.30696096 0.61172853 Ni 1.81447615 3.59977842 5.39843638 0.78715123 0.27494722 0.78645544 Ni 0.00145842 5.42535005 5.41725809 -0.29864502 0.13047466 0.23238228 Ni 3.59232597 3.62377678 3.64022206 0.70373883 -0.18468066 -0.38153122 Ni 5.43412947 5.45025654 3.63553598 -0.04739029 -0.29223235 -0.20181802 Ni 5.44813025 3.60640561 5.43895569 -0.32917066 0.13667817 -0.22582345 Ni 3.62161825 5.41037939 5.42854015 0.17697663 0.48896825 -0.09250229 Ni 7.25785645 3.58929609 3.61905305 -0.30886089 0.22281004 0.26695743 Ni 9.01891147 5.39583720 3.60474153 0.31790558 0.39897262 0.39161897 Ni 9.01471148 3.60119705 5.46030922 0.24665688 0.06243030 -0.32804866 Ni 7.23808829 5.38745256 5.40652777 -0.15622848 0.22866996 0.37553303 Ni 10.82922904 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-0.43853052 Ni 9.01892962 3.58460663 12.63657698 0.27269361 0.69069189 0.84878601 Ni 7.22814194 5.40597277 12.64890779 0.18955366 0.41802261 0.74243372 Ni 10.82267099 3.58682853 10.88154391 -0.14368076 0.66376756 -1.10886184 Ni 12.63399903 5.42948261 10.86034898 0.82617096 -0.28868536 -1.03372735 Ni 12.63127513 3.63966296 12.65653015 0.71986364 -0.19281298 0.52253165 Ni 10.88581121 5.44507754 12.65285877 -1.37680783 -0.38154807 0.84638768 Ni 0.00399163 7.26629036 10.88748114 -0.51850842 -0.55819788 -0.66000748 Ni 1.79163093 9.05098363 10.86736736 1.44819681 -0.25958611 -1.16685837 Ni 1.84570271 7.21884259 12.69214633 0.35295674 0.16130107 0.49917797 Ni 0.01294395 9.07562201 12.63604973 -0.61083387 -0.23270739 0.88441192 Ni 3.64339200 7.25459367 10.87974650 -0.53380449 -0.27653230 -1.29645222 Ni 5.41409771 9.01385464 10.82584635 0.28426662 0.06257671 -0.23973015 Ni 5.37895185 7.23655898 12.64080368 0.49689679 -0.06911226 0.69448905 Ni 3.61541191 9.07469508 12.69063038 0.23470124 -0.27795424 0.52437634 Ni 7.25911018 7.21836244 10.89297257 -0.23061883 0.35953323 -1.09297568 Ni 9.07132843 9.06405345 10.85165213 -0.64341791 -0.16488528 -0.68324439 Ni 9.08166241 7.27083590 12.67718929 -0.35502346 -0.33929597 0.58745902 Ni 7.21518519 9.00921016 12.68380132 0.15196843 0.13519810 0.32169975 Ni 10.85116954 7.23140001 10.88297082 -0.64781025 0.25854433 -1.36211947 Ni 12.68922711 9.03003286 10.85731071 0.45007672 -0.17108509 -0.87202235 Ni 12.64357651 7.20410901 12.65213744 0.83260601 0.29040772 0.70694354 Ni 10.87244340 9.04055496 12.64640729 -0.45509374 0.13774868 0.71660896 Ni 0.02877577 10.87737849 10.87970107 -0.97354655 -0.57815672 -0.77495059 Ni 1.77970804 12.68674948 10.83399164 0.92186611 0.65163079 -0.17190414 Ni 1.83332989 10.83173716 12.63593339 0.53378219 0.02236882 0.94014722 Ni 0.03075905 12.69654987 12.69166350 -0.21181188 0.19314945 0.32411342 Ni 3.66705931 10.82786033 10.88117189 -0.55848843 -0.56288766 -0.94009922 Ni 5.42863066 12.66373377 10.85276599 0.12580534 0.77291424 -0.55777819 Ni 5.46339179 10.85417150 12.64870449 -0.20114210 -0.56041607 0.81187602 Ni 3.61228880 12.69751242 12.65498920 0.01832146 0.27819152 0.36313245 Ni 7.22480548 10.83675666 10.86791653 0.27195024 -0.83414541 -0.70812804 Ni 9.03063723 12.64402830 10.88826407 0.23892107 0.66254669 -0.78855371 Ni 9.07928050 10.84224041 12.69409392 -0.38289258 -0.77001571 0.59763891 Ni 7.26990447 12.65680946 12.63167341 -0.21079932 0.56752174 0.76336158 Ni 10.82809291 10.86980118 10.82867458 -0.54503730 -0.95481596 -0.49470690 Ni 12.63254284 12.64967186 10.88062163 0.70544549 0.70075250 -0.64793271 Ni 12.67991228 10.82676067 12.63088604 0.54828756 -0.41320950 0.66185499 Ni 10.87633018 12.64293610 12.69747895 -0.54879299 0.56398681 0.59092203