108 Lattice="11.301599633724756 0.0 0.0 0.0 11.301599633724756 0.0 0.0 0.0 11.301599633724756" Properties=species:S:1:pos:R:3:forces:R:3 energy=-551.466081577143 stress="-0.007167031965214363 -1.7819516467965298e-05 0.0007787122056971165 -1.7819516467965298e-05 -0.005860006335575913 -0.0012815210426248408 0.0007787122056971165 -0.0012815210426248408 -0.0069873428586496086" free_energy=-551.466081577143 pbc="F F F" Nb 0.00526363 0.03403907 0.00231367 1.11444465 1.14634276 1.11760284 Ni 1.89834585 1.90453098 0.00149542 -0.22685278 -0.18815841 0.35454018 Ni 1.85583648 0.02196114 1.94543070 -0.21820298 0.66187097 -0.28261418 Ni 0.01609876 1.90165364 1.92508224 0.56633739 -0.28813887 0.02741316 Nb 3.75244764 0.05963552 0.01542898 -0.23816632 -0.28640299 0.13653100 Ni 5.62966714 1.86406857 0.00104157 0.50843833 0.37327960 0.49765716 Ni 5.66308069 0.00981970 1.89424633 0.57444506 -0.01547997 -0.38260210 Nb 3.77100604 1.88228165 1.89882247 -0.24371272 0.99490656 -0.80894608 Ni 7.50294415 0.02480733 0.00228316 -0.31508686 0.52615232 0.55176841 Nb 9.43325659 1.90962369 0.01800177 -0.11276747 0.82194228 -0.47927583 Nb 9.41869498 0.00873220 1.90439856 0.13973025 -1.44798114 0.07329948 Nb 7.57139854 1.88131037 1.90702068 -1.97563824 0.91837094 -0.87968901 Nb 0.03440212 3.75846433 0.03602969 -1.10992408 -1.34492219 -1.11263347 Nb 1.88136860 5.67029498 0.01852903 0.62092641 -0.52989452 -2.78844644 Nb 1.84096364 3.74663156 1.88728749 0.57969195 -1.38630582 1.74095821 Nb 0.03209233 5.66293199 1.90620146 -2.06743354 -0.65346722 1.07886555 Ni 3.73877182 3.79354428 0.04101096 0.48052562 -0.39263641 -0.13507616 Ni 5.69181409 5.65089375 0.03152560 0.02682739 -0.02689433 0.61319709 Ni 5.65760891 3.74516040 1.86539996 0.25949355 0.57223592 -0.15284390 Nb 3.74157994 5.62576085 1.90108835 2.26324691 -0.60026229 1.71276347 Ni 7.49359405 3.83030531 0.00206925 0.24126977 0.01968968 0.86236689 Ni 9.45151932 5.63310173 0.03422853 -1.18596692 -0.14799549 1.36810818 Ni 9.40113875 3.73292688 1.90580542 -0.51598762 0.49988854 -0.50600189 Ni 7.52376869 5.66252978 1.89952361 -0.02798087 -0.23959002 -0.53685941 Nb 0.02246022 7.58486358 0.03085124 -1.46103592 -0.03666803 -0.80798310 Nb 1.85163935 9.44978568 0.03855533 0.57768378 1.16411758 -0.10111447 Nb 1.90829402 7.54102844 1.90647923 0.86203791 1.56407299 2.20416588 Ni 0.01769634 9.42384169 1.86350416 0.14707795 -0.06038240 0.55366102 Nb 3.76643160 7.55690495 0.00352744 1.90414377 0.53817493 -1.01135865 Ni 5.64205739 9.39633311 0.02994178 -0.02153163 -0.64632334 0.61926569 Ni 5.66600870 7.55691532 1.88643572 -0.18117089 -0.09497326 -0.04100050 Ni 3.80149537 9.42090504 1.91715659 0.36296009 -0.45792756 0.37626798 Ni 7.53377041 7.50410724 0.02945883 0.13449977 -0.02868864 0.98396785 Ni 9.42654968 9.41770335 0.01971962 -0.74704347 -0.87461912 0.71366051 Ni 9.44070533 7.57767653 1.91284362 -0.48680645 -0.20560447 -0.78028316 Nb 7.56865876 9.42845431 1.84977233 -0.26674585 0.17491235 -0.50489079 Nb 0.01195080 0.02538459 3.77918501 -0.11451927 -0.12876681 -1.39178392 Ni 1.92030920 1.92230437 3.80338312 -0.59120184 -0.19909302 -0.86437773 Nb 1.88108610 0.03070450 5.61843947 0.81495598 -1.32012078 0.96475568 Nb 0.03489492 1.90878112 5.64514977 -1.62877971 0.26969586 -0.67798290 Nb 3.78623916 0.02300346 3.77555375 -0.99840905 -2.38550279 -1.62556961 Nb 5.62019664 1.86975768 3.77944578 1.57708855 1.89724134 -1.03929865 Nb 5.67529809 0.03469933 5.68041300 0.08418601 -2.47167445 0.83185294 Nb 3.78990775 1.87601655 5.65198757 -0.39996351 1.68185063 2.11571148 Ni 7.55818100 0.03056697 3.72466643 -0.32071825 -0.41556512 0.12696073 Nb 9.41920784 1.86236705 3.77176891 1.16138286 1.68268407 0.17073314 Nb 9.42075288 0.01755066 5.68630757 0.68150775 -0.96596968 -0.21878773 Nb 7.52535669 1.88321639 5.68767622 0.20528325 1.46228529 -0.54294072 Ni 0.03705219 3.74898669 3.73724420 -0.06616203 0.09816260 0.19719279 Ni 1.84567263 5.65257782 3.76895573 0.18971277 -0.06638632 0.62213588 Nb 1.85365214 3.74052211 5.66396560 0.68082263 1.20603160 -1.03862979 Ni 0.01592262 5.63811939 5.68764435 0.40616192 0.23592918 -0.39197572 Ni 3.74149712 3.73518178 3.78450625 0.35138670 0.58478859 -0.14682498 Ni 5.67526213 5.62327010 3.80077063 -0.09410648 -0.57135053 -1.03802748 Ni 5.66013829 3.75772871 5.65261514 -0.30624338 -0.07653265 -0.25451877 Nb 3.78899903 5.65391203 5.68391101 -1.45796514 -1.09331354 -2.10747109 Ni 7.57968613 3.76833802 3.77428554 -0.37560549 0.26951539 -0.30369964 Nb 9.40643008 5.63430829 3.73663561 1.03989367 -0.71786336 -0.74890291 Ni 9.43076293 3.73384889 5.67899721 0.15422160 -0.07373449 0.11580603 Nb 7.53341483 5.63095829 5.62097522 1.05683328 -1.74000041 -0.46656203 Nb 0.01230369 7.51802081 3.74501653 -0.36885344 0.09132137 0.97673108 Ni 1.87477020 9.44871417 3.77969957 0.15167829 -0.48753325 -0.39187303 Ni 1.84389096 7.52439809 5.68477791 0.04769591 -0.25075384 -0.38010712 Nb 0.02216418 9.38594033 5.64925017 0.70404882 0.80508742 0.31991636 Ni 3.75066588 7.53322864 3.78534408 -0.11889810 0.25932512 -0.47229321 Ni 5.64641875 9.39374209 3.80454250 -0.39096785 0.02129265 -0.74743321 Nb 5.65677353 7.50741893 5.67882203 -0.68674742 0.61214341 -2.88560056 Nb 3.75103617 9.38078162 5.64209645 -1.62220911 1.30786780 -1.16504327 Nb 7.53335238 7.58810950 3.75896520 0.08757544 -0.34937649 -1.47271772 Ni 9.42769982 9.38485950 3.75678708 -0.10708912 -0.46760865 0.24946684 Ni 9.43846041 7.48916978 5.62694091 0.16873410 0.34878105 0.06309544 Nb 7.52721508 9.44875129 5.66813695 0.86453919 1.99786054 -1.53254945 Nb 0.00607782 0.00181008 7.54834311 0.22115965 0.35223776 0.87725610 Ni 1.84860923 1.91408518 7.49756306 0.61662634 -0.68511461 1.28646723 Ni 1.86102553 0.00855519 9.45292847 0.32986056 1.20383704 -1.11655886 Ni 0.00782176 1.90221472 9.42810942 0.62174879 -0.10375416 -0.69537520 Ni 3.74502859 0.00164243 7.52811639 -0.30044347 0.61808332 0.64501528 Ni 5.66216750 1.88021586 7.51364856 -0.58115510 0.35812070 1.02725529 Nb 5.65041703 0.02589790 9.44918722 -0.52915709 0.67208098 -0.42534988 Ni 3.72505501 1.89185342 9.42513148 0.09050314 -0.15330444 -1.16996458 Nb 7.55838417 0.00210741 7.56888647 -0.23526690 -0.40416531 0.73743855 Ni 9.40205039 1.85658649 7.51475099 0.11897878 0.21671544 0.38053530 Nb 9.41936417 0.02493549 9.43622746 -0.23218347 0.93739688 -0.29015523 Ni 7.51490773 1.84890231 9.45370011 -0.07294362 0.21346199 -0.52757608 Nb 0.02514424 3.78332336 7.49379892 -1.47682838 -0.02313297 0.58306682 Ni 1.90413687 5.61989996 7.52914322 0.06180164 0.25777174 0.15970121 Nb 1.87261484 3.75880800 9.42609404 1.48478813 -0.57085793 -0.05411665 Nb 0.01500722 5.65190375 9.40929919 -0.93013082 0.09114965 0.84846086 Ni 3.77649627 3.76688178 7.49761727 0.04787799 -0.49680320 0.96201243 Nb 5.63528843 5.65064571 7.57158572 -0.28163374 -2.02154713 2.49650743 Ni 5.65860914 3.73926874 9.38713415 -0.07919638 -0.48422611 -0.22683893 Ni 3.79207603 5.58662459 9.42154258 -0.23005966 0.05654898 -0.24258590 Nb 7.55960654 3.72978872 7.52064347 -0.38588155 -0.62142237 0.79809825 Ni 9.41202019 5.62693739 7.49308954 -0.05684116 0.42738154 0.26254714 Nb 9.34829993 3.73272098 9.41414466 0.26976336 -0.25845945 0.04300242 Ni 7.59622088 5.65948200 9.40735695 -0.09628449 0.17787108 -0.22477547 Nb 0.00625029 7.54669140 7.55999843 -0.26242268 -1.02613879 -1.76318372 Ni 1.93234044 9.39112019 7.52326844 -0.35578398 0.15045591 -0.12914599 Nb 1.84615896 7.56660380 9.42019204 1.12319156 -1.13862540 1.11732377 Nb 0.02779650 9.43982183 9.39277374 0.16235406 0.61747009 -0.19079010 Nb 3.77878955 7.53842471 7.56566852 -2.14036500 -0.56491028 1.25057615 Nb 5.67139848 9.42253413 7.56669345 0.47024152 2.13177617 1.39835938 Ni 5.68225874 7.50204161 9.40190678 0.06485238 0.07322878 0.45163318 Nb 3.72729495 9.45358204 9.43703021 0.01010009 0.76804228 0.64364658 Nb 7.53056021 7.54541826 7.50347479 2.02245023 -0.88110646 2.58026939 Nb 9.42196518 9.40487357 7.52280919 0.37263685 -0.11088608 0.53582564 Ni 9.38982374 7.53746365 9.44487759 -0.75186927 -0.23530971 -0.76801137 Ni 7.47313644 9.42594178 9.43349795 0.16851625 -0.61722457 -0.38439903