108 Lattice="10.948455569355659 0.0 0.0 0.0 10.948455569355659 0.0 0.0 0.0 10.948455569355659" Properties=species:S:1:pos:R:3:forces:R:3 energy=-273.993541077263 stress="-0.0069003567983266225 -0.0007388823202621434 -0.0002916174905453665 -0.0007388823202621434 -0.0071116457971024775 -0.00030479063682117315 -0.0002916174905453665 -0.00030479063682117315 -0.006514214997146433" free_energy=-273.993541077263 pbc="F F F" Ni 0.02015421 0.03388292 0.00320763 -0.37218401 -0.38425544 -0.32646399 Ni 1.82936697 1.81259399 0.00130673 0.37660507 0.90305851 -0.80956623 Ni 1.83774526 0.03056186 1.80441536 0.27783201 -0.90865564 0.99492605 Ni 0.02716449 1.83911462 1.81130055 -0.61750590 0.62054532 0.90598263 Ni 3.62224096 0.01526777 0.02180617 0.27418866 -0.58548713 -0.62835044 Ni 5.49019361 1.79343244 0.00290527 -0.19547111 0.99433424 -0.44195621 Ni 5.49807024 0.01187175 1.79177072 -0.30309882 -0.53660355 1.17382740 Ni 3.62349144 1.82034941 1.80176162 0.58227896 0.99452122 1.28620981 Ni 7.30787388 0.01622643 0.01024441 -0.43867817 -0.77290063 -0.76749669 Ni 9.08914343 1.81169568 0.03129375 0.83943993 0.52691485 -0.76629692 Ni 9.09019259 0.01515248 1.82633541 0.73671965 -0.89427412 0.50974436 Ni 7.33054369 1.79090523 1.82925858 -1.46172587 1.23798474 1.06772147 Ni 0.03072668 3.67279267 0.01855152 -0.47080106 -0.21052330 -0.59825419 Ni 1.83745246 5.45106581 0.02666160 0.46848477 0.13554205 -0.83803993 Ni 1.84073622 3.68256397 1.83332856 0.67285898 -0.51728027 0.89899562 Ni 0.01950554 5.43779333 1.81863739 -0.66395742 0.45225376 0.73046674 Ni 3.62818134 3.61326192 0.01549092 0.52943384 0.35862012 -0.39291451 Ni 5.49114417 5.50114669 0.00884231 -0.41503168 -0.55830503 -0.58992095 Ni 5.49804432 3.68264609 1.83478635 -0.59121038 -0.52898691 0.75407573 Ni 3.61991521 5.50997188 1.79493159 0.51696067 -0.48165236 1.16439501 Ni 7.30894817 3.62382157 0.03249039 -0.64836234 0.27815745 -0.66637940 Ni 9.13707424 5.50833939 0.01881436 0.31903262 -0.40659985 -0.45538423 Ni 9.13243405 3.63757143 1.82566671 0.41325458 0.25961518 0.69395853 Ni 7.28136258 5.44628369 1.81741446 -0.25365937 0.17385043 1.03098862 Ni 0.02240520 7.28910792 0.00748058 -0.53375697 -0.60772672 -0.60803216 Ni 1.83750240 9.10685433 0.01845737 0.34158284 0.60737882 -0.72486970 Ni 1.79467637 7.30297572 1.82283298 0.94320557 -0.77686057 0.91865212 Ni 0.01768390 9.09500561 1.80342051 -0.61919559 0.69590253 0.59044317 Ni 3.61326905 7.27767942 0.02328263 0.26549949 -0.30239394 -0.79116193 Ni 5.50553469 9.09106456 0.01941959 -0.39436542 0.39044880 -0.58059160 Ni 5.44719630 7.27249432 1.80260111 0.09858309 -0.26492660 1.12814800 Ni 3.62729378 9.13322148 1.80195979 0.26641256 0.42141730 0.82761417 Ni 7.28969243 7.26821330 0.01220079 -0.26978882 -0.25433230 -0.65856072 Ni 9.12785032 9.14710639 0.01077327 0.10863672 0.10941659 -0.20824320 Ni 9.12569597 7.29105766 1.79938484 0.38356043 -0.46094057 0.88072925 Ni 7.27771107 9.12490855 1.80154528 -0.30799310 0.39393206 0.77685088 Ni 0.00338652 0.00098876 3.68515007 -0.35073447 -0.39425261 -0.28391707 Ni 1.82955947 1.79911745 3.66544413 0.66615591 1.30278474 -0.47237475 Ni 1.85854041 0.03276259 5.44812342 0.21976481 -0.91286547 0.51145516 Ni 0.03560154 1.83177127 5.45741800 -0.74502310 0.71833117 0.16493949 Ni 3.63150501 0.02744702 3.67918918 0.32291639 -0.55750929 -0.57788546 Ni 5.45189758 1.81301813 3.67719723 -0.07540681 0.99985780 -0.42364859 Ni 5.44742779 0.00733046 5.44243635 0.07858434 -0.43719140 0.29399168 Ni 3.61728620 1.81529478 5.50595477 0.81844619 1.42659147 -0.19528807 Ni 7.31510827 0.01014713 3.69626309 -0.72327699 -0.61351485 -0.14835888 Ni 9.11577658 1.80865537 3.62064707 0.63800403 0.69621089 0.49580761 Ni 9.14796381 0.01108650 5.51662083 0.56664125 -0.36806694 -0.25898951 Ni 7.31044639 1.79173194 5.49912030 -0.85583717 1.04309789 -0.34940895 Ni 0.00983217 3.69220244 3.64757624 -0.23213979 -0.17060376 0.20325964 Ni 1.85792265 5.50133471 3.62716341 0.31513435 -0.09673735 0.25700142 Ni 1.83989238 3.62454273 5.44790137 0.49479752 0.63808138 0.18819644 Ni 0.02557763 5.51017018 5.50266450 -0.28963915 -0.38976454 -0.37037761 Ni 3.62082374 3.67423218 3.63606033 0.64079645 -0.30764711 -0.01358716 Ni 5.48433319 5.50919958 3.61885329 -0.36706170 -0.40365150 0.56153935 Ni 5.50329385 3.64970309 5.45539630 -0.57431468 0.11640063 0.25461629 Ni 3.61688451 5.44656058 5.44692519 0.52939422 0.20076015 0.28811169 Ni 7.28182702 3.61452792 3.68348428 -0.64947137 0.27770491 -0.34486228 Ni 9.10429513 5.46738291 3.65125014 0.28552988 -0.02133036 -0.23549405 Ni 9.09324608 3.65720812 5.44925241 0.61700531 -0.22633939 0.08255209 Ni 7.33373576 5.49558442 5.49126804 -1.22846432 -0.30965957 -0.19851354 Ni 0.00329933 7.31192062 3.65348888 -0.60449961 -0.78232635 0.02881430 Ni 1.81301474 9.11089023 3.67065555 0.59174730 0.68217691 -0.24595205 Ni 1.83162720 7.29716828 5.44460529 0.60020408 -0.85308962 0.19028061 Ni 0.00220631 9.15867858 5.47783676 -0.37139738 0.16193497 0.07086624 Ni 3.64401439 7.33508609 3.64248440 0.36649311 -0.95215029 0.00123242 Ni 5.49125352 9.16004641 3.63832422 -0.34631354 0.08790342 0.07072725 Ni 5.46336355 7.29075169 5.49246788 -0.31586133 -0.74370523 -0.28454285 Ni 3.62035618 9.11530019 5.47755560 0.64134911 0.44811317 -0.15646594 Ni 7.27177949 7.29794779 3.65957412 -0.57477635 -0.63666394 -0.37828251 Ni 9.13582212 9.11795475 3.60464723 0.20427551 0.32861109 0.08435466 Ni 9.10390030 7.30351331 5.43833742 0.74247095 -0.51062938 0.22613597 Ni 7.29848949 9.11179832 5.46167370 -0.55926505 0.62127442 -0.08909316 Ni 0.03150592 0.03183917 7.32155243 -0.55095913 -0.47775999 -0.80997320 Ni 1.83823067 1.85589756 7.27551775 0.66989023 0.58250121 -0.28583636 Ni 1.81671951 0.01472862 9.09046696 0.69820244 -0.44049053 0.56581482 Ni 0.02091196 1.84020390 9.12888166 -0.45938788 0.51446571 0.48426541 Ni 3.67604461 0.02248834 7.29754822 -0.11111078 -0.66782286 -0.45927038 Ni 5.49346110 1.79931306 7.33152858 -0.21863226 1.28929190 -1.20319373 Ni 5.49713754 0.02852650 9.13968802 0.00966759 -0.68604593 0.40308808 Ni 3.68049616 1.80734705 9.13875241 -0.25841589 0.78860277 0.39948749 Ni 7.30860301 0.01555906 7.26305164 -0.75838779 -0.94630408 -0.20049533 Ni 9.10386830 1.82333668 7.32278359 0.90407295 0.63243648 -0.89014228 Ni 9.15483005 0.01273230 9.09212225 0.25854454 -0.41443337 0.25586406 Ni 7.32778762 1.78901435 9.14219984 -0.65075503 0.87669200 0.64937864 Ni 0.00907010 3.67314190 7.32148068 -0.46325347 -0.13176610 -0.87290296 Ni 1.79944151 5.49714334 7.32517486 1.11216871 -0.21549600 -1.19529018 Ni 1.84617645 3.64997633 9.11420820 0.40283526 -0.08764207 0.65903690 Ni 0.02274527 5.49907835 9.10759613 -0.53942342 -0.21385937 0.71531328 Ni 3.64145259 3.68478641 7.32646055 0.42498312 -0.34384905 -1.32339938 Ni 5.50135054 5.47175231 7.30472071 -0.31104854 -0.14324359 -1.02281420 Ni 5.48745818 3.64955815 9.12764375 -0.00945247 -0.07399031 0.27437220 Ni 3.62553701 5.45630868 9.08784022 0.18627447 0.29360902 0.66035054 Ni 7.32531447 3.62223948 7.27978291 -1.11044071 0.28757250 -0.45350763 Ni 9.14969182 5.44792915 7.32205412 0.32704059 0.22433473 -0.77464618 Ni 9.15596567 3.62333825 9.08759662 0.24776421 0.15611552 0.62785863 Ni 7.28392690 5.46430940 9.13227716 -0.27189681 0.02990989 0.31571170 Ni 0.01296142 7.28951612 7.31591002 -0.66677685 -0.12398590 -0.84012831 Ni 1.85515627 9.09848856 7.25669591 0.24744984 0.67613425 -0.03720620 Ni 1.79310143 7.33437645 9.15924126 1.12408157 -0.74523783 0.55187255 Ni 0.02625962 9.08960400 9.13173891 -0.37436583 0.52086922 0.15490597 Ni 3.62086175 7.28992372 7.29559306 0.30071037 -0.87557955 -0.74164103 Ni 5.49051378 9.11505491 7.31928410 -0.23604035 0.46749435 -0.76467220 Ni 5.43158403 7.28583045 9.12725739 0.29598819 -0.67208224 0.38582327 Ni 3.68257505 9.11058175 9.14431947 -0.26026813 0.43134267 0.24149917 Ni 7.30054708 7.30954959 7.27146626 -0.57732990 -0.92032140 -0.28538432 Ni 9.11675365 9.14448129 7.29355796 0.46455398 0.35868792 -0.53257138 Ni 9.12723234 7.30092659 9.10807836 0.46119092 -0.56135061 0.38390269 Ni 7.32288680 9.08965661 9.12508681 -0.64148603 0.44787555 0.53644346