108 Lattice="10.535390402140965 0.0 0.0 0.0 10.535390402140965 0.0 0.0 0.0 10.535390402140965" Properties=species:S:1:pos:R:3:forces:R:3 energy=-384.723761805625 stress="-3.166951674753369 0.7674110464188679 -0.42742676008132463 0.7674110464188679 -3.30951121077468 -1.28797709822868 -0.42742676008132463 -1.28797709822868 -2.427245910897275" pbc="F F F" Fe -0.01933051 -0.01429640 -0.00423786 1.07592594 0.99736090 1.09044302 Fe 1.77691501 1.72744278 0.01876276 -0.69623978 -0.13456056 -0.49986847 Fe 1.72845853 -0.02966231 1.78656455 -0.37084899 -0.32518488 -0.42116794 Fe 0.01564200 1.73247540 1.75105431 -0.40547327 -0.35914050 -0.40070822 Fe 3.50512810 0.03553072 0.03342099 -0.05928159 -0.13542288 0.07184283 Fe 5.24861720 1.72605313 0.00217372 0.30887185 -0.11148654 -0.36255018 Fe 5.24352579 -0.01448512 1.76423711 0.25965035 -0.32908254 -0.24203290 Fe 3.50730119 1.73192747 1.73048723 0.01532032 0.24700887 0.26014769 Fe 7.01082645 -0.01901777 -0.00263696 0.27167253 0.81523853 0.86519296 Fe 8.75090997 1.75595017 -0.02501706 -0.54291291 -0.31447948 0.60696846 Fe 8.80783287 0.03295095 1.75774468 -0.68949143 0.56221536 -0.33289133 Fe 7.05562393 1.77292796 1.75669720 -0.01570175 -0.74295633 -0.49808347 Fe 0.02610248 3.54231634 -0.02657067 0.47018657 -0.18818251 0.66243131 Fe 1.73214399 5.26619196 0.02405004 -0.25768708 0.07926795 -0.49166105 Fe 1.75761887 3.49348101 1.78138822 0.00546586 0.20284319 -0.50101581 Fe 0.00518468 5.29788563 1.75255237 -0.45316791 -0.04260082 -0.40895474 Fe 3.54072609 3.52907847 -0.02398160 -0.18362813 -0.15200299 -0.23965320 Fe 5.30656278 5.23931386 -0.00910855 -0.14623298 0.15104195 -0.50546084 Fe 5.31203382 3.52291668 1.77644841 -0.41361824 -0.27919862 -0.19323592 Fe 3.53043504 5.27190683 1.72951188 -0.02252425 -0.20593308 0.47043849 Fe 7.01908966 3.47842701 -0.00159402 0.26823392 0.02385348 -0.58760248 Fe 8.77421528 5.23097656 0.02712691 -0.44129689 0.12845002 0.26797037 Fe 8.77899009 3.52353334 1.73429311 0.47384496 -0.21921114 -0.13602791 Fe 7.01143000 5.26038220 1.74892506 0.39658822 0.05757902 0.02546167 Fe -0.03149570 7.04784128 0.01585504 0.81525838 0.18646431 0.69409781 Fe 1.75861714 8.77383400 0.00094717 -0.33638623 -0.71480803 0.66423412 Fe 1.78109666 7.02981939 1.78349425 -0.54472545 0.43285010 -0.36920759 Fe 0.00539354 8.74940524 1.76246179 0.67608224 -0.62172116 -0.20340316 Fe 3.48923365 6.99920333 0.02023910 0.19206248 0.38866768 -0.73588751 Fe 5.28223402 8.80359391 0.02816447 0.02486453 -0.43449853 0.28297241 Fe 5.24970009 7.04619587 1.75171204 0.26517655 -0.14361730 -0.12909980 Fe 3.52902678 8.76582899 1.72363954 -0.28821898 0.64423856 -0.19870054 Fe 6.99847182 6.99870518 0.01202419 0.68228419 0.65106398 -0.32480237 Fe 8.77885122 8.78649334 0.02937813 -1.04180431 -1.01457587 1.03251687 Fe 8.81084986 7.00085155 1.76345103 0.18765499 0.58365587 -0.45603858 Fe 7.02781061 8.81008998 1.73166126 0.46880039 0.14182882 -0.25701321 Fe -0.03258767 -0.01467757 3.50537534 0.63088120 0.51568744 0.03644276 Fe 1.77738787 1.75861454 3.53944723 -0.51695911 -0.29625398 -0.19247554 Fe 1.78463825 -0.00359525 5.30916443 -0.67584800 -0.44540664 -0.26945054 Fe -0.01858937 1.73836067 5.22769485 -0.37968239 -0.23577039 0.10592632 Fe 3.49639657 0.03246086 3.54192263 0.10283823 -0.66533838 -0.19126791 Fe 5.25228664 1.77738731 3.52189668 0.26332294 -0.40467554 -0.24026399 Fe 5.24178791 0.01286394 5.29557073 0.22492049 -0.58925141 -0.34960387 Fe 3.51342234 1.77425416 5.25169727 -0.00460789 0.08457918 0.66861961 Fe 7.02056436 0.00666915 3.48764410 0.17150146 -0.33279141 0.06605450 Fe 8.76913812 1.73834015 3.50846234 0.60674794 -0.28249565 -0.01267833 Fe 8.76021339 0.00952303 5.23344359 -0.46032544 0.45346143 0.10970593 Fe 7.00333976 1.77273228 5.28914264 0.35167294 -0.55976308 -0.20247085 Fe 0.02224059 3.52458863 3.47150668 -0.58559427 -0.01710590 0.19181808 Fe 1.74989591 5.29534708 3.53823719 0.16261767 -0.30649491 -0.21796749 Fe 1.72165360 3.50919692 5.30381675 0.08737152 -0.07952819 -0.23561903 Fe -0.00351158 5.26728186 5.28944519 -0.72631594 -0.03304599 -0.06285244 Fe 3.54059479 3.49134266 3.53015413 -0.37639407 0.27531308 -0.35455327 Fe 5.30111649 5.25521468 3.52439149 -0.22710660 0.16872494 -0.24151357 Fe 5.30198324 3.51750535 5.24763200 -0.38043733 -0.23626303 0.22591165 Fe 3.51955061 5.24248994 5.23458528 -0.20280267 0.10187571 0.32475790 Fe 7.04110673 3.47857481 3.52789192 0.08223893 0.18832286 -0.26821246 Fe 8.80518281 5.24925544 3.49320243 0.37966368 -0.07180334 -0.01138365 Fe 8.78834717 3.46129173 5.24109970 0.51638805 0.21006071 0.13813208 Fe 7.03432146 5.24063866 5.23279671 0.29652805 0.26649433 0.25055427 Fe -0.02903737 7.00092325 3.50233793 -0.35520231 0.54363186 0.02007601 Fe 1.78737168 8.80578726 3.53483839 -0.58104089 0.24440210 -0.18455959 Fe 1.72261217 7.02727679 5.25853604 0.11950633 0.23822657 -0.08791557 Fe -0.02510115 8.74486740 5.27138823 0.46477459 -0.41236512 0.01116569 Fe 3.54026286 7.04519600 3.53652207 -0.35374110 -0.29879983 -0.25965077 Fe 5.23673726 8.77544376 3.48423496 0.44373082 0.61140215 0.14081029 Fe 5.24296771 7.02053345 5.24396856 0.62158832 0.12549157 0.12045413 Fe 3.49308886 8.78711047 5.26327762 0.17306069 0.61732485 0.10083831 Fe 7.05465127 7.01395176 3.50004100 -0.17145040 0.48444252 -0.11276933 Fe 8.74578148 8.81026911 3.51236418 -0.35319898 -0.41781465 -0.18391389 Fe 8.76056329 7.02624980 5.22468749 0.60938746 0.35318744 0.24836361 Fe 7.05022048 8.81128634 5.29011047 0.13242911 0.29564535 -0.09447228 Fe -0.00923469 0.01867044 7.02847512 0.52908271 0.44316389 0.21432156 Fe 1.70529287 1.73108596 7.03106276 0.13946494 -0.37254397 0.28244927 Fe 1.74696308 -0.02865464 8.79726768 -0.13795568 0.79915245 -0.86457260 Fe -0.00399773 1.73212944 8.76204651 0.52860449 -0.29463992 -0.29411616 Fe 3.51104192 -0.03088824 6.99887286 -0.04984134 -0.24448023 0.70076946 Fe 5.28949772 1.72097677 7.02294866 -0.40534940 0.32305315 0.25295387 Fe 5.25610250 0.01789133 8.80369501 -0.00790376 0.36178632 -0.44396289 Fe 3.52520906 1.75313070 8.75746850 -0.19546386 -0.51291815 0.38678253 Fe 6.99574223 0.00942850 7.03277453 0.78578440 -0.51932517 0.48147319 Fe 8.79460890 1.76376749 6.99049499 0.15938070 -0.53233800 0.71515897 Fe 8.78489598 -0.01078726 8.78585940 -1.11372467 1.18547438 -1.08660957 Fe 7.00294445 1.75425947 8.79573617 0.73212027 -0.51659361 0.25229850 Fe 0.00367553 3.49884291 7.08193923 -0.62985519 -0.11085053 -0.10643628 Fe 1.72215547 5.28779499 6.99117528 0.37271128 -0.10631282 0.39590416 Fe 1.76898998 3.49556466 8.75815966 -0.36520758 0.10237168 0.60101789 Fe -0.00473125 5.24885610 8.75248105 0.34262169 0.04731495 -0.21507359 Fe 3.48581536 3.51843783 7.04048896 0.30143471 -0.20288055 -0.33809168 Fe 5.27592918 5.23762455 6.96427239 -0.04832883 0.40032848 0.44204809 Fe 5.28589841 3.47337941 8.80054295 -0.10098787 0.21623949 0.28919157 Fe 3.52533601 5.26199319 8.74531696 -0.06610145 0.05540854 0.42104951 Fe 7.00325030 3.52820715 7.01180764 0.52673541 -0.29956536 0.34865362 Fe 8.79806826 5.22233774 7.01032457 0.26504604 0.18691406 0.35276271 Fe 8.75750257 3.48208129 8.78468769 -0.49271971 -0.05777203 -0.48075174 Fe 7.01988256 5.25989539 8.75903519 0.41828476 0.19621175 0.35449597 Fe 0.03159753 7.02007302 7.05212152 -0.85090670 0.57953818 0.24272283 Fe 1.76834295 8.75916279 7.00448389 -0.47375592 0.57340332 0.48588772 Fe 1.74266411 7.00753386 8.76145756 -0.09255151 0.44814307 0.55812914 Fe 0.03498126 8.79916060 8.76071125 1.04834607 -0.92761554 -0.96660871 Fe 3.53341418 7.05249719 6.99813901 -0.24477331 -0.24603815 0.30622224 Fe 5.27984651 8.75731134 7.01515343 -0.05767294 0.52289744 0.46039430 Fe 5.24939312 6.99631346 8.78641985 0.16114672 0.47017835 0.21002942 Fe 3.48743691 8.76965079 8.79685649 -0.07480579 -0.54379625 -0.55878731 Fe 7.05593961 7.04573103 7.00758177 0.33403370 0.00103152 0.45846522 Fe 8.81434356 8.81225127 7.02567388 -0.75376865 -0.84751655 0.25902495 Fe 8.81333566 7.03634755 8.79646837 -0.85974572 0.20394292 -0.93800934 Fe 7.03984940 8.76359554 8.75515013 0.33745487 -0.69963861 -0.66487445