64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=89.39505726785728 stress="-313.21798202028117 -0.006923570031347026 -135.91119332796737 -0.006923570031347026 -337.08250760571843 35.30034228789765 -135.91119332796737 35.30034228789765 -341.8221091414869" pbc="F F F" Fe 0.22086729 -0.01689004 -0.22903346 -4.07918548 -2.65185476 -3.42503611 Fe 1.59933616 0.93572417 0.98055861 -6.49548272 -21.56612298 18.31749614 Fe 2.14715992 2.22516294 0.23402360 -1.59606313 8.76576056 -28.94569308 Fe 2.93229823 3.31172061 1.19084223 5.94514694 21.31518296 7.91600333 Fe 2.29465675 0.14771729 3.20399864 -10.24937448 -3.22979387 -3.93989669 Fe 3.85840215 0.76443239 4.02546443 9.36270854 7.64802328 -0.37791004 Fe -0.04422626 2.79563377 2.93187189 -0.66196840 -1.55277998 -1.60194679 Fe 1.55604684 4.07636534 3.99475015 -21.24457815 53.86361081 -30.72334051 Fe 5.78248547 0.50979054 0.01871475 -2.05798622 -1.36248282 -4.75061975 Fe 6.20935311 1.04524550 2.00114475 -6.22552110 5.69152499 2.21981381 Fe 7.56413860 2.40080582 -0.13579737 -6.94788624 -6.29864009 -5.32227641 Fe 8.67982227 3.56376137 0.86736005 6.78145428 5.99078713 5.93466738 Fe 7.81964364 0.29825864 2.75344230 4.84760274 -7.13956913 0.58140885 Fe 8.94092265 1.58905321 3.94859689 21.09625747 -3.08605739 -16.00549769 Fe 4.13852573 2.20608632 2.20242380 4.94715004 -3.29167200 4.53465748 Fe 5.75858622 3.88988228 3.51999491 4.49426515 -4.95384460 -4.56083849 Fe 0.10340100 5.31298788 0.02164361 -3.32101441 -2.69012719 -2.16939334 Fe 1.63900191 6.14262195 1.24085714 -9.64804868 -17.89652667 29.06114731 Fe 2.21949456 6.99713164 0.09651729 13.01690456 18.22424301 -27.10186379 Fe 3.61643991 8.32327578 1.40123177 -36.93888850 23.82955010 -23.94354068 Fe 2.95366604 4.88968876 2.71888199 -11.99671520 -8.53681443 -9.79103764 Fe 4.18297782 5.79320854 3.39174556 14.98302287 17.58524165 0.84530561 Fe 0.34278350 7.83814538 2.63905551 -2.48125571 -10.59120857 -17.66778224 Fe 0.60366252 8.66349090 4.11824152 3.79297417 9.36603246 18.61471738 Fe 5.26176311 5.27927672 -0.22400553 -1.95335182 -0.94729534 -0.18718240 Fe 6.60365422 6.12475624 1.46651109 -12.12891129 14.60827011 -9.55743961 Fe 6.67119966 8.29253646 -0.21778446 -2.30782395 -0.67170454 -0.56547151 Fe 8.57559210 8.55058575 1.17451505 0.91535926 -0.60157996 1.95486640 Fe 7.58087455 5.09122498 2.35935114 11.06464123 -13.87987405 11.70151639 Fe 8.97462727 6.11272182 3.87984742 1.15428563 0.14116967 1.57576490 Fe 4.66448343 7.68403127 2.11226018 36.80112581 -23.15683692 23.43734038 Fe 5.97555741 8.31914392 3.89352680 -18.22516764 6.54861759 -9.41048264 Fe -0.22954640 0.28866239 4.68786656 -0.95727674 -0.26057077 -2.49004519 Fe 1.11803101 1.09305905 6.30199494 -13.87329238 11.42682227 -7.95039519 Fe 2.00297454 2.99791377 4.62151619 21.93911266 -57.93326746 27.90230293 Fe 3.07353166 3.51894432 6.34725891 2.94881441 -1.60002523 2.15363266 Fe 2.43970136 0.30962604 7.02044147 9.96833798 -8.66868692 10.82441277 Fe 4.08450338 0.75571598 8.58475277 -8.66517229 -24.31230746 17.49715981 Fe -0.00344088 2.96978731 7.51668654 -8.00070800 -5.74954135 -7.55918707 Fe 1.22422232 3.91950201 8.54655608 -7.30458421 -8.21416638 15.85784406 Fe 4.08532250 0.00206044 5.83625574 6.10662423 -3.66412032 3.59549810 Fe 6.48837336 1.00831489 6.43404765 -22.44916258 31.43715922 -15.26036474 Fe 7.84911873 2.01595790 5.07449325 -21.31217545 1.48479578 10.75191367 Fe 8.60556472 3.49425818 6.03735392 3.07072132 8.76188776 5.35000116 Fe 7.20384740 -0.14918067 7.03810700 19.34593994 -32.30069755 16.34250444 Fe 8.75567948 0.58042468 9.03850275 -0.19060463 0.50237470 -0.17072619 Fe 4.60939942 2.00409575 7.77385137 9.65795657 25.34764511 -16.85932261 Fe 5.88981588 3.99050463 8.64455433 0.73057318 -0.43279095 -1.04346298 Fe 0.03346674 4.71662307 5.34902654 -5.98100504 -2.85460051 0.38839470 Fe 1.12753280 6.21395641 6.27609686 3.29937460 3.46768006 1.21887844 Fe 2.82350393 7.21827495 4.80335328 -9.12719772 -12.78699953 -13.27824392 Fe 3.63834321 8.28337470 5.87827378 8.95202936 12.27928290 12.06895763 Fe 2.36102597 4.94186987 7.87644269 16.71822145 16.42463672 -7.10715698 Fe 4.67171808 6.11056424 8.96640764 -1.84399804 -0.56744824 2.27941805 Fe -0.14980647 7.97085593 7.41342367 -6.42847522 -1.37701449 -4.81901941 Fe 1.40009545 8.42893138 8.60183795 6.96681610 1.04856712 4.04043696 Fe 4.60146438 4.74812168 4.92451313 -2.76496297 -3.73256741 12.87350173 Fe 5.89974943 6.22892384 6.12165250 11.86757510 -28.17764323 -38.32333289 Fe 7.34497277 7.80178516 4.71375535 17.99361353 -7.03564340 11.24304187 Fe 8.84947997 8.91585207 6.75724536 -0.81235309 -0.86090285 0.17887753 Fe 7.43376557 5.85345170 7.38498733 3.69915849 -3.78302554 -0.11437193 Fe 8.66153064 6.54291660 8.96495890 2.31395868 1.89082523 3.39617870 Fe 5.39757659 7.11536967 7.13716159 -16.80779812 30.99724492 30.51487311 Fe 5.86157597 9.04079721 8.69789396 0.29626333 -0.23013125 -0.14965519