108 Lattice="10.396156505077615 0.0 0.0 0.0 10.396156505077615 0.0 0.0 0.0 10.396156505077615" Properties=species:S:1:pos:R:3:forces:R:3 energy=-399.17389503261893 stress="-0.007780525685631815 -0.0007546971362154491 0.0009669423402791415 -0.0007546971362154491 -0.007869512826639311 -4.192943090356131e-05 0.0009669423402791415 -4.192943090356131e-05 -0.007632159646083923" free_energy=-399.17389503261893 pbc="F F F" Ni 0.01473727 0.00799901 0.01737847 0.68306970 0.65063436 0.68270798 Ni 1.70075412 1.75137491 0.03116554 0.16885583 -0.29784328 -0.90559584 Ni 1.74801579 0.00609335 1.73839786 -0.52011702 -0.63305672 -0.19244485 Ni 0.02234797 1.76379489 1.69843150 -0.77402028 -0.38832390 0.27078431 Ni 3.43975297 0.01746878 0.02126698 -0.07341667 0.01478119 -0.08079112 Ni 5.20159446 1.69863985 0.02195073 0.01667099 0.38592284 -0.72325132 Ni 5.19240621 0.02121585 1.70702364 0.21729952 -0.72307087 0.38704716 Ni 3.44610990 1.70327688 1.70631717 0.07207689 0.62141582 0.24777835 Ni 6.91776582 0.02869306 0.00469146 0.19580118 0.22643735 0.44467533 Ni 8.64156495 1.68862565 0.03139335 -0.36706609 0.19152144 0.39925373 Ni 8.67214330 0.01994140 1.75880717 -0.54401330 0.41696353 -0.03426804 Ni 6.89950018 1.75865057 1.76584979 0.36621942 -0.35410246 -0.24294821 Ni 0.02769964 3.47293950 0.00964553 -0.05651683 0.16339190 0.00663574 Ni 1.76718350 5.17908051 0.03450921 -0.54754300 0.36057355 -0.85782451 Ni 1.72438000 3.47551464 1.70842886 0.23570010 -0.06775514 0.60772658 Ni 0.01842958 5.20746594 1.76496901 -0.53945199 -0.07780153 -0.30234959 Ni 3.45804313 3.48107382 0.01549909 0.13074416 -0.35675148 -0.61016735 Ni 5.19694741 5.18724683 0.03041032 0.06765403 0.13773905 -0.73832469 Ni 5.19708573 3.47938442 1.71393847 0.00291229 -0.17250812 0.26440054 Ni 3.44112802 5.22253373 1.73231384 0.42883858 -0.26760034 0.38374642 Ni 6.94430458 3.47454710 0.00553625 0.09073369 -0.21667322 -0.45958673 Ni 8.68013826 5.18392945 0.02602409 -0.33050006 0.19570915 0.24515900 Ni 8.65680883 3.46065372 1.74859937 0.57195633 -0.09937228 -0.25606284 Ni 6.93400221 5.21757627 1.73129270 0.16479595 -0.08386155 0.06110901 Ni 0.02370875 6.95534549 0.01775537 0.39179053 -0.24552159 0.39807359 Ni 1.72778970 8.63715740 0.02102725 0.11618866 -0.26750860 0.28675632 Ni 1.76457404 6.90672457 1.75001185 -0.41897719 0.31146010 -0.12717540 Ni 0.01052644 8.66571921 1.69725394 0.42205667 -0.42647694 0.17797689 Ni 3.46322792 6.91169099 0.02702777 0.03139584 0.35457717 -0.68172971 Ni 5.16520403 8.66287608 0.00184427 0.01192609 -0.17145260 0.27427688 Ni 5.22758405 6.93468716 1.71191347 -0.47880046 -0.04649718 0.22493057 Ni 3.43543596 8.66628770 1.76408218 0.21659746 0.38424165 -0.41253978 Ni 6.90135720 6.95035064 0.01322894 0.40876412 0.01550022 -0.69836055 Ni 8.63848651 8.67682328 0.00796074 -0.68393752 -0.63579829 0.63140893 Ni 8.66362965 6.97095725 1.69610661 0.34329789 -0.06937272 0.07117838 Ni 6.91586029 8.68260100 1.71924998 0.24834467 0.54058322 -0.16883831 Ni 0.02229638 0.02272183 3.47204491 0.09275233 0.15796411 -0.23249178 Ni 1.72079251 1.74213165 3.45443858 0.29628387 0.23954953 -0.10732390 Ni 1.73505308 0.01152140 5.18280988 -0.12258902 -0.61728098 0.21824247 Ni 0.02971901 1.74254508 5.17774412 -0.72694263 -0.14864123 0.38487388 Ni 3.43266039 0.02298830 3.43877502 0.28784398 -0.66913295 0.12736462 Ni 5.16441392 1.76427249 3.45241699 0.40998125 -0.19185217 0.12495470 Ni 5.22301236 0.00872459 5.16140084 -0.18338423 -0.30127706 0.21032380 Ni 3.43246621 1.70544268 5.19706361 0.13293425 0.65316757 0.13110256 Ni 6.96589344 0.01346890 3.50398235 -0.17450912 -0.33097763 -0.31947234 Ni 8.64783792 1.74240698 3.48999923 0.63654457 -0.11973369 -0.09295167 Ni 8.68356735 0.01201472 5.20058783 -0.26308606 0.27109564 0.20999498 Ni 6.95049388 1.75875949 5.26100922 -0.35961455 -0.07132337 -0.38306564 Ni 0.02476661 3.44489386 3.49555637 -0.64100122 0.30674697 -0.29402703 Ni 1.75925582 5.18869213 3.48741363 -0.17468204 -0.16744806 -0.21676067 Ni 1.70019593 3.48294620 5.23188195 0.72161744 -0.15499787 -0.22050997 Ni 0.00172807 5.25148635 5.20931281 -0.62537609 -0.25390741 -0.16857278 Ni 3.47732313 3.46420239 3.43245965 -0.43965843 -0.04987472 0.20215283 Ni 5.19897420 5.18642475 3.43956722 0.09243001 0.14277221 0.23093482 Ni 5.17575473 3.45859752 5.17324517 0.16495291 0.05201077 0.33816421 Ni 3.44628617 5.22022588 5.18456538 0.49500165 -0.27885971 0.40583408 Ni 6.96338502 3.46558141 3.45842501 -0.48944386 0.14771805 0.32763887 Ni 8.66219810 5.21892800 3.45324834 0.35768122 0.15741682 0.15510331 Ni 8.67864670 3.45548013 5.24055587 0.41315722 0.29129435 -0.17468914 Ni 6.90601880 5.21024342 5.22029315 0.18848719 -0.14588985 -0.25524189 Ni 0.02495858 6.92044787 3.43356007 -0.53921986 0.39677409 0.12925246 Ni 1.75082019 8.65690453 3.43396164 -0.41976912 0.50795607 0.17776425 Ni 1.76116918 6.92796020 5.16976165 -0.19224635 0.29219294 0.36108143 Ni 0.01546530 8.65140468 5.21094872 0.31344824 -0.32617111 -0.11509257 Ni 3.47464808 6.89694683 3.48581056 0.26720635 0.27788418 -0.28064259 Ni 5.19618168 8.64698087 3.41334344 -0.05497960 0.64309057 0.37001139 Ni 5.22166546 6.96287105 5.21756931 -0.43841836 -0.48186020 -0.13585462 Ni 3.44622700 8.68031561 5.18393331 0.17574940 0.40487263 0.12415682 Ni 6.89636131 6.94740891 3.45484221 0.53651938 -0.16752229 0.13900163 Ni 8.65572764 8.66776149 3.42786585 -0.38779361 -0.35283429 0.15035571 Ni 8.69138662 6.94959717 5.22177613 0.16441713 0.19174871 -0.15474496 Ni 6.91286531 8.64752299 5.22853054 0.61432833 0.61634540 -0.27584716 Ni 0.03200749 0.03437675 6.91641842 0.21239015 0.18634045 0.03827320 Ni 1.70336366 1.75483571 6.95334011 0.44476124 -0.23787726 -0.26401757 Ni 1.71590292 0.00504150 8.66413592 0.05129276 0.42359402 -0.43959287 Ni 0.01593151 1.76346601 8.61996949 0.19910037 -0.14468691 0.02494729 Ni 3.46605741 0.01612681 6.92295591 -0.16670283 -0.62460602 0.06999868 Ni 5.17143690 1.74202223 6.95490893 0.28273400 0.18957030 -0.50691550 Ni 5.19518581 0.04615498 8.65053863 -0.02960958 -0.12103220 -0.03309415 Ni 3.45389041 1.73260551 8.63013678 -0.17120435 -0.04284865 0.76554172 Ni 6.91556718 0.00079837 6.92685121 0.37602408 -0.38160234 0.20236777 Ni 8.68951921 1.74143520 6.94354763 0.32120995 -0.37974288 0.37995037 Ni 8.68063039 0.00863027 8.69535473 -0.88262059 0.86113239 -0.89434476 Ni 6.90167475 1.71230788 8.66973833 0.51239423 0.06144248 0.35831233 Ni 0.02918245 3.48443753 6.96900623 -0.90488085 0.01369135 -0.31025040 Ni 1.71502359 5.21631845 6.90602376 0.45425455 0.25488184 0.25233394 Ni 1.76114313 3.49812254 8.63904978 -0.13675478 -0.23029125 0.79563856 Ni 0.02845977 5.16620835 8.68143565 0.22142278 0.39505872 -0.18094022 Ni 3.47514645 3.49324584 6.94867061 -0.13014110 -0.13941760 -0.53872595 Ni 5.19820328 5.18970248 6.95492972 -0.13208406 0.11847741 -0.39762095 Ni 5.19194892 3.48426072 8.68822635 -0.02760213 -0.19386375 0.52063507 Ni 3.43246552 5.21815486 8.68468660 0.10964126 0.05402028 0.40458426 Ni 6.93838321 3.47327032 6.95770256 -0.09418723 -0.04976588 -0.09658972 Ni 8.69460640 5.22724206 6.93001035 0.26049098 -0.11781616 0.28967875 Ni 8.67283948 3.44262736 8.67662182 -0.35029905 0.02839655 -0.33246359 Ni 6.92271974 5.17471194 8.67382722 0.37013690 0.34387385 0.44707045 Ni 0.02405902 6.92386576 6.92702988 -0.54766176 0.28044000 0.36864075 Ni 1.72211264 8.65988848 6.93793652 -0.18077200 0.48412882 -0.03738793 Ni 1.75786966 6.96023701 8.66522532 -0.44050559 -0.13382411 0.48372917 Ni 0.00833082 8.63250600 8.68853283 0.71084252 -0.69589240 -0.76885652 Ni 3.49046910 6.96209392 6.95413636 -0.21637125 -0.34532818 -0.57791575 Ni 5.23960465 8.69706661 6.91403007 -0.19055592 0.39468633 0.42491242 Ni 5.16483368 6.92276217 8.66576956 0.47787353 0.25647802 0.48497700 Ni 3.45064463 8.65264797 8.61730944 0.16228311 0.16009317 0.04348476 Ni 6.92766705 6.91263340 6.92723415 0.36170757 0.36493791 0.61414682 Ni 8.68844898 8.69714989 6.95787844 -0.78978164 -0.78512738 0.12919151 Ni 8.68356169 6.90878621 8.69432936 -0.74003554 0.21595220 -0.68812643 Ni 6.91085591 8.67636838 8.69438797 0.20525754 -0.75459288 -0.69595950