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=-622.6906200748635 stress="-270.4213411668967 -40.432250005814865 -127.59620712355877 -40.432250005814865 -299.69106299513953 2.8402373312015357 -127.59620712355877 2.8402373312015357 -241.89745002589424" pbc="F F F" Fe 0.22086729 -0.01689004 -0.22903346 -0.99799815 -0.64317060 -1.08128008 Fe 1.59933616 0.93572417 0.98055861 -10.53360139 -15.65898874 7.37243961 Fe 2.14715992 2.22516294 0.23402360 -2.93353832 5.88312150 -25.61161570 Fe 2.93229823 3.31172061 1.19084223 10.21231744 14.99079047 12.04210044 Fe 2.29465675 -0.06841967 2.44481085 1.65951552 -4.53170418 5.33506257 Fe 3.85840215 0.76443239 3.74197382 0.13521861 1.64609614 0.21458199 Fe 0.01305245 3.37091231 3.11880303 -7.91274212 -7.54817993 -10.68306153 Fe 1.55604684 4.07636534 3.99475015 6.36793750 41.32293448 -28.20030035 Fe 5.37367246 0.41590283 0.08987003 0.64388195 1.30715336 0.61525397 Fe 6.81595901 1.02721648 1.76701063 -9.08322957 7.53976966 -11.93538361 Fe 7.56413860 2.42957765 -0.13579737 -6.63009917 -5.33334826 -4.59565489 Fe 8.67982227 3.56376137 0.86736005 4.74602942 4.96903581 4.86754697 Fe 7.81964364 0.29825864 2.98568119 -13.58159693 -20.10144843 -4.92791593 Fe 8.94092265 0.91364046 3.80687150 26.42303694 9.32963350 14.22175745 Fe 5.13099466 2.64804974 2.21116107 -14.14470519 -9.12447145 -14.10713594 Fe 6.21146060 3.40281203 3.27636527 12.77489224 9.75386155 13.41133261 Fe 0.19056740 4.70676063 0.45558802 0.40086092 -2.09501361 -0.27872981 Fe 1.49928622 5.79692580 1.73410168 -3.41097052 3.27649904 -1.45044843 Fe 2.49728798 7.21972589 0.09651729 -1.85819115 -1.95986799 -1.89614558 Fe 3.61643991 8.32327578 1.40123177 -26.36106227 18.53501035 -16.44169904 Fe 2.95366604 4.88968876 2.71888199 -7.76113883 -11.92490970 -6.42294986 Fe 4.18297782 5.79320854 3.39174556 17.00514255 12.21567943 7.90575029 Fe 0.30609528 7.83814538 2.63905551 -4.12633268 -6.54928585 -10.63007480 Fe 0.90975672 8.66349090 4.11824152 4.91670923 6.14186225 11.64545171 Fe 5.42288064 4.99707792 -0.22400553 0.60688010 -0.85564911 1.66105460 Fe 6.60365422 6.12475624 1.46651109 -12.75731782 14.37236520 -11.78902127 Fe 6.67119966 8.29253646 -0.21778446 0.56568339 -0.59423575 2.29377705 Fe 8.57559210 8.55058575 1.17451505 -2.14782982 -1.07516685 -0.94053900 Fe 7.58087455 5.09122498 2.35935114 12.81587868 -13.18410641 11.33793521 Fe 8.97462727 6.11272182 3.87984742 -0.49047415 0.06511728 0.13222825 Fe 4.66448343 7.68403127 2.11226018 27.73864802 -17.40989472 17.49069889 Fe 5.97555741 8.31914392 3.89352680 -18.64309711 5.97945620 -9.92833808 Fe -0.22954640 0.28866239 4.68786656 -3.38433998 -3.36167787 -2.15077538 Fe 1.11803101 1.55239207 5.36469048 -1.68374006 -5.25852995 6.44341131 Fe 2.00297454 2.99791377 4.62151619 26.27032285 -37.07190078 21.43039716 Fe 3.55150311 3.51894432 6.34725891 -5.22568999 -5.66794385 4.65124986 Fe 2.43970136 0.30962604 7.02044147 -2.86824829 0.83892216 1.95160092 Fe 4.08450338 0.75571598 8.58475277 -6.72152047 -9.36095526 6.12387337 Fe -0.00344088 2.96978731 7.51668654 -6.32090850 -4.90527686 -6.57436552 Fe 1.22422232 3.91950201 8.54655608 -8.27232290 -8.81665872 14.69385122 Fe 4.08532250 0.00206044 5.83625574 3.64100021 -0.22407214 -0.44470865 Fe 6.48837336 1.00831489 6.43404765 -15.29681603 27.13142050 -13.97420441 Fe 7.84911873 2.25854751 4.84542229 -7.03803693 -3.25135524 -3.56774578 Fe 8.60556472 3.49425818 6.03735392 3.84039258 6.17004888 6.01967356 Fe 7.20384740 -0.14918067 7.03810700 17.04270529 -26.43384250 14.86590658 Fe 8.63411590 0.94480194 8.75181405 -1.57711084 -0.40731045 -1.71073187 Fe 5.09980901 2.00409575 7.77385137 -0.60495821 0.38409386 -13.25230345 Fe 5.97078520 3.24032483 8.75401561 6.33871440 9.42335223 6.76189507 Fe 0.09263645 4.62936138 4.65540456 -19.35477049 11.26824239 14.53105566 Fe 0.43781512 6.81416538 5.78912195 0.43541208 0.33047186 -0.40905975 Fe 2.82350393 7.21827495 4.80335328 -8.95338128 -12.76201206 -12.68628592 Fe 3.63834321 8.28337470 5.87827378 8.81611642 12.06237539 12.27625208 Fe 2.36102597 4.94186987 7.87644269 15.01302264 14.19569275 -9.37729066 Fe 4.65391855 6.03411984 8.38544395 -4.63488830 -9.21696070 8.34717382 Fe 0.04351831 8.23553491 7.63970276 1.20078946 0.19769803 0.25275336 Fe 1.97419286 8.97675809 8.59647343 -0.62387767 -0.64857186 -1.39695114 Fe 4.67212473 4.74812168 5.36805486 1.57369416 2.42498719 -4.84279530 Fe 5.89974943 6.22892384 6.12165250 15.22366815 -20.04771870 -26.29880539 Fe 7.34497277 7.80178516 4.71375535 18.58790986 -7.06370273 12.02863162 Fe 8.72557247 8.55011602 6.91154804 -1.75693368 -1.04662802 1.67209427 Fe 7.61642137 4.97690407 7.58223207 -1.10792575 1.36544783 0.80999345 Fe 8.93333148 6.38215830 8.97076095 -0.68892727 0.59374113 -1.66801171 Fe 5.39757659 7.11536967 7.13716159 -6.40188075 31.69470478 17.95560204 Fe 6.59856987 9.06168698 8.85549530 0.89382196 -1.27502592 -2.08805813