108 Lattice="10.396140876893691 0.0 0.0 0.0 10.396140876893691 0.0 0.0 0.0 10.396140876893691" Properties=species:S:1:pos:R:3:forces:R:3 energy=-399.16741797284044 stress="-0.007591328340373024 -2.9687621707194754e-05 -0.001431143039897276 -2.9687621707194754e-05 -0.007760706937214066 -0.0009942285386794428 -0.001431143039897276 -0.0009942285386794428 -0.006982835016808298" free_energy=-399.16741797284044 pbc="F F F" Ni 0.02033916 0.02250228 0.02361046 0.58723497 0.64046417 0.60526818 Ni 1.70709240 1.76220997 0.00493517 0.10789027 -0.21836806 -0.45781272 Ni 1.71662682 0.01481799 1.72661552 0.16139966 -0.70173093 -0.22319902 Ni 0.02628299 1.72048608 1.76322094 -0.72551813 0.15442092 -0.40776955 Ni 3.48360471 0.02222514 0.00120765 -0.22557218 0.33678219 0.22742504 Ni 5.22650454 1.74171530 0.02562687 -0.31066370 -0.11604913 -0.64395050 Ni 5.18232864 0.00373028 1.71489743 -0.05590910 -0.48852318 0.19050889 Ni 3.43244232 1.73478520 1.75300218 0.22220095 0.17078406 -0.41187025 Ni 6.90671913 0.00452368 0.02971481 0.20684836 0.39003043 0.29524093 Ni 8.65485280 1.76665723 0.01027348 -0.53247939 -0.17277235 0.35996364 Ni 8.65481547 0.01749007 1.70214988 -0.44015949 0.52166654 0.11409752 Ni 6.90633572 1.73760709 1.75840647 0.43697270 -0.23723530 -0.26362871 Ni 0.00496326 3.47742349 0.01339493 0.15344380 -0.09132733 0.20520977 Ni 1.75066366 5.20702354 0.00601875 -0.17343823 0.21131519 -0.66736902 Ni 1.72079647 3.49623604 1.73563077 0.25565014 -0.39096629 0.07139092 Ni 0.03260233 5.19429169 1.72721291 -0.82750808 0.26054254 -0.25362705 Ni 3.45930357 3.48795516 0.00635973 0.08109585 -0.32998164 -0.43698728 Ni 5.22013773 5.18469146 0.01437882 -0.35625306 0.21378951 -0.69915431 Ni 5.22772252 3.44574816 1.73311492 -0.56920334 0.26262377 0.30960076 Ni 3.44908727 5.17707004 1.74901343 0.44619918 0.09892190 0.06659387 Ni 6.90138018 3.47940649 0.02788738 0.54672946 -0.20803297 -0.80686235 Ni 8.69265212 5.17731712 0.01958114 -0.42165996 0.09058882 0.31687342 Ni 8.64110194 3.43411133 1.73863033 0.63021602 0.20782679 -0.18793877 Ni 6.89700638 5.19128095 1.70859804 0.64886150 0.11178936 0.28402019 Ni 0.01236335 6.95912395 0.01929624 0.35997403 -0.14073151 0.42195539 Ni 1.71264760 8.63819837 0.00658176 0.12057865 -0.31247405 0.29474569 Ni 1.76669681 6.89995959 1.74645447 -0.35212632 0.56502099 -0.25883975 Ni 0.02702552 8.69697805 1.70010660 0.45195683 -0.60935983 0.22032953 Ni 3.49890899 6.96211953 0.01951084 -0.11512881 -0.18174711 -0.61601283 Ni 5.21167840 8.69546657 0.00096009 0.06962345 -0.37085993 0.39436383 Ni 5.20564848 6.89766239 1.73354996 -0.39183369 0.40524025 0.00518548 Ni 3.44477460 8.64314666 1.72006320 0.06014699 0.53665845 0.17723131 Ni 6.93313738 6.94017115 0.02682985 0.16111442 0.05753386 -0.63392362 Ni 8.66138875 8.63103479 0.00385935 -0.70067849 -0.58748596 0.68777965 Ni 8.68404907 6.94352257 1.71129813 0.32898676 -0.10920805 0.13358693 Ni 6.91857805 8.64625227 1.74685034 0.18596961 0.61675873 -0.19392383 Ni 0.01317006 0.02484536 3.44895091 0.12707142 0.10210551 0.17186747 Ni 1.74591264 1.72663010 3.43899340 -0.28054126 0.34088196 0.24135136 Ni 1.74432248 0.03331436 5.18537510 -0.33865713 -0.66626065 0.31234367 Ni 0.00479782 1.75716605 5.22177475 -0.38378352 -0.12974657 -0.08909898 Ni 3.44581355 0.03317532 3.49812018 0.22199087 -0.83632418 -0.46261808 Ni 5.18213126 1.76579252 3.44244769 0.29207553 -0.18138926 0.34191902 Ni 5.18617935 0.01674227 5.20521849 0.17624092 -0.44602900 -0.02505519 Ni 3.45034621 1.72901260 5.17493751 0.22758692 0.20243757 0.41497240 Ni 6.91644102 0.02782361 3.44781390 0.14464378 -0.48971430 0.12889032 Ni 8.65003689 1.75521903 3.48068406 0.53939299 -0.32742830 -0.06920064 Ni 8.66347885 0.01793835 5.19026021 -0.32244118 0.15668635 -0.00834734 Ni 6.93384732 1.75591155 5.23128013 -0.27020132 -0.12740547 -0.42133649 Ni 0.00802954 3.48212374 3.44489704 -0.50495098 -0.19951583 0.15810945 Ni 1.72524332 5.23194828 3.44142129 0.28585376 -0.54308221 0.38903553 Ni 1.76697802 3.45142216 5.16472578 -0.38516993 0.23930689 0.23866148 Ni 0.00738506 5.17528661 5.19685646 -0.29556429 -0.02323551 0.14333913 Ni 3.48142267 3.45170798 3.47882625 -0.13280258 0.33931125 -0.31574366 Ni 5.21203190 5.20932212 3.47032966 -0.22826885 -0.44703107 0.00231472 Ni 5.17449357 3.44389355 5.22978283 0.31434581 0.25124757 -0.25879926 Ni 3.45260410 5.19467603 5.18217731 0.28168773 0.16843280 0.31692402 Ni 6.95504672 3.48275959 3.45507037 -0.64650988 -0.16310783 0.34950853 Ni 8.63603214 5.17293126 3.48444200 0.66601834 0.37351686 -0.49008093 Ni 8.66241096 3.49118820 5.20822351 0.49584641 -0.15120684 0.13283504 Ni 6.92247392 5.24121410 5.18355225 -0.22335514 -0.36775556 0.30539352 Ni 0.02140230 6.90410155 3.46667624 -0.74011828 0.46161248 -0.10532013 Ni 1.69942254 8.64741270 3.48934603 0.15876441 0.50292179 -0.26193689 Ni 1.74842899 6.92326872 5.18383759 -0.11884859 0.02123001 0.28332610 Ni 0.01140164 8.68566027 5.21678782 0.18271019 -0.40612919 0.01353067 Ni 3.45847897 6.89937143 3.49661545 0.18544203 0.29893457 -0.39628208 Ni 5.17109878 8.66561286 3.47316390 0.23120103 0.49471006 -0.30631312 Ni 5.23074145 6.95654630 5.16412497 -0.33266839 -0.47478802 0.55103026 Ni 3.49602030 8.67948317 5.19390639 -0.45103767 0.42475995 -0.00752873 Ni 6.90049270 6.91205564 3.40932923 0.61444685 0.34206390 0.36200220 Ni 8.67677056 8.67906940 3.44003711 -0.45869120 -0.49174191 0.04925996 Ni 8.68372823 6.90893681 5.18267408 0.37506623 0.50710566 -0.11339833 Ni 6.94766243 8.65802209 5.21808959 0.28135411 0.49052257 -0.30002853 Ni 0.02826905 0.01644753 6.95900658 0.34215293 0.29231043 -0.19461004 Ni 1.76220329 1.73075341 6.92471609 -0.27362789 0.06739981 0.14887136 Ni 1.72192302 0.03423631 8.67159464 0.11867762 0.26804699 -0.25231876 Ni 0.00516444 1.69802376 8.65372969 0.24642371 0.14612927 -0.31393345 Ni 3.47516772 0.02744473 6.97936674 -0.31074960 -0.66527725 -0.25412389 Ni 5.17955692 1.71315595 6.94216312 0.13455328 0.34548383 -0.16753550 Ni 5.17064486 0.02796945 8.65090966 0.29801285 0.09494128 0.04597980 Ni 3.46467056 1.76254242 8.69138510 -0.21997501 -0.12229704 0.45841495 Ni 6.92983106 0.01216269 6.93496867 0.11310009 -0.44994848 0.20885060 Ni 8.65430761 1.71823239 6.89764390 0.48117675 0.03884529 0.54760594 Ni 8.64326185 0.01133923 8.65793715 -0.73784136 0.80601674 -0.73152322 Ni 6.91559089 1.75948849 8.69713853 0.34742168 -0.28213370 0.15921337 Ni 0.02487626 3.47474922 6.96304917 -0.37219840 -0.08539925 -0.17382125 Ni 1.76472616 5.23187575 6.97333571 -0.24593280 -0.29166446 -0.33229214 Ni 1.69554974 3.43275839 8.68773962 0.20828812 0.05702131 0.44100055 Ni 0.01678654 5.16383994 8.68182262 0.28166573 0.36475470 -0.25313498 Ni 3.42533110 3.48690067 6.90450288 0.18903423 -0.23641110 0.20729621 Ni 5.21584438 5.18227975 6.95351395 -0.22696708 0.57237498 -0.42645483 Ni 5.18122047 3.43328685 8.63298705 0.18078133 0.21291160 0.60834813 Ni 3.47437960 5.16782033 8.68851274 -0.10851878 0.19384264 0.42719666 Ni 6.92262608 3.47307135 6.92168269 0.24033312 0.04217190 0.25033505 Ni 8.67904562 5.22044631 6.91044565 0.25745025 -0.21581436 0.36422750 Ni 8.68356789 3.44213791 8.66692045 -0.50196058 0.09508023 -0.52627509 Ni 6.91085936 5.22734267 8.68612797 0.24005472 -0.25329792 0.23092569 Ni 0.02106756 6.89794845 6.90014177 -0.49168420 0.34513901 0.47778078 Ni 1.72986451 8.64037676 6.91411247 -0.25985358 0.65039269 0.19886402 Ni 1.75609952 6.96478707 8.67211988 -0.62067017 -0.18833355 0.57542826 Ni 0.01032609 8.69607617 8.68755591 0.86688293 -0.92374882 -0.94998486 Ni 3.44430411 6.95879919 6.94549151 0.47233206 -0.53739611 -0.37221323 Ni 5.17383885 8.66048762 6.90013231 0.29191533 0.43181984 0.48192001 Ni 5.17761215 6.94638068 8.68598693 0.30294714 0.10657086 0.17124657 Ni 3.43552895 8.61661285 8.67198346 0.13783314 0.23470006 -0.11277743 Ni 6.96524541 6.96193791 6.91143158 -0.40580782 -0.17524339 0.36668917 Ni 8.67970880 8.66077367 6.96502293 -0.34602120 -0.41926243 -0.14350397 Ni 8.63752870 6.90077059 8.63810172 -0.25031958 0.22801777 -0.18359919 Ni 6.94005784 8.69542151 8.63794836 -0.09199977 -0.57954425 -0.47612064