108 Lattice="9.895638975065328 0.0 0.0 0.0 9.895638975065328 0.0 0.0 0.0 9.895638975065328" Properties=species:S:1:pos:R:3:forces:R:3 energy=-377.3494873226897 stress="-0.030458466489097436 -0.0006048006659866082 -0.0009382963697365965 -0.0006048006659866082 -0.03337780034270385 -0.0011360703430527877 -0.0009382963697365965 -0.0011360703430527877 -0.031364617559277996" free_energy=-377.3494873226897 pbc="F F F" Fe 0.01772383 0.01730276 0.01407397 0.14308446 0.32184897 0.03715081 Fe 1.66364689 1.69935076 0.00749392 -0.38401048 -0.76173317 -0.29768056 Fe 1.63553212 0.03213352 1.65285620 0.49791436 -0.96997477 -0.35679777 Fe 0.01327782 1.65528195 1.67460546 -0.84443904 0.42595282 -0.86287422 Fe 3.29375692 0.01148109 0.01749547 -0.67717450 -0.63612434 -0.64210039 Fe 4.91313326 1.63154521 0.00674727 0.83919164 0.71996410 -0.94308669 Fe 4.91979407 0.00112206 1.64119883 0.82634843 -0.90190905 0.68406981 Fe 3.31919176 1.63137862 1.63956397 -1.36922527 1.31973399 0.92161235 Fe 6.60088802 0.01394806 0.03283136 -0.60518572 -0.77254572 -0.54646811 Fe 8.22779003 1.62457490 0.01523354 0.48415899 1.02896212 -0.28438155 Fe 8.26217358 0.02177250 1.66093465 0.05040770 -0.66612182 0.41086155 Fe 6.58994977 1.62421038 1.63418671 -0.80361774 1.00850408 1.21225913 Fe 0.00744969 3.31605105 0.03210926 -0.26037382 -0.10423633 -0.10546868 Fe 1.68140601 4.91850340 0.00559101 -0.62098041 0.77897535 -0.89752244 Fe 1.67519609 3.31282468 1.66960579 -0.13147301 -0.47086905 0.65928117 Fe 0.00657022 4.95130252 1.67406680 -0.74800514 -0.63357003 -0.41711674 Fe 3.26947080 3.28609882 0.03186627 1.39721395 0.44962452 -1.08142512 Fe 4.96978955 4.95348269 0.02461892 -1.01093666 -0.06580041 -1.04672885 Fe 4.92840018 3.29827469 1.63500931 0.22268986 0.15724699 0.48344678 Fe 3.27885275 4.96126723 1.64659126 1.00952013 0.15562980 0.75013363 Fe 6.58147028 3.29628584 0.03672778 0.31786391 -0.14269141 -0.71763342 Fe 8.26909249 4.97219295 0.00634898 0.12044771 -0.69673305 -0.07384459 Fe 8.22969918 3.32285442 1.67878241 0.51679962 -0.36021151 -0.48432332 Fe 6.56531627 4.97330533 1.64378182 1.07146881 -1.03639142 1.06661710 Fe 0.00964966 6.61953894 0.02271463 -0.53744331 -0.87434340 -0.48660899 Fe 1.65679844 8.21874910 0.03290753 0.62887418 0.50298982 -0.58347842 Fe 1.61942998 6.55215190 1.62853620 1.57004849 0.64975829 1.12441783 Fe 0.03067897 8.27679226 1.63719327 -0.39119484 -0.00587301 0.82833787 Fe 3.32838416 6.61628549 0.00368867 -0.20087102 -0.84185998 -0.75079150 Fe 4.97052343 8.27189848 0.00474834 0.47268075 -0.10913143 -0.21328084 Fe 4.96475961 6.60281139 1.64730822 -0.14263837 -0.20637503 0.52006873 Fe 3.33024464 8.21736755 1.62807067 -0.48968339 0.99939482 0.85380439 Fe 6.62724990 6.56752063 0.02062326 -0.71580165 0.95251315 -1.03990559 Fe 8.27317803 8.25980762 0.02287185 -0.26406561 -0.20598648 0.00720595 Fe 8.25931944 6.60469660 1.63315426 0.76414578 -0.49562819 0.78856844 Fe 6.62603143 8.24193165 1.65185935 -0.83259112 0.57962629 -0.00105962 Fe 0.00908004 0.02897855 3.30921678 -0.82066412 -0.95576274 0.00088444 Fe 1.62466858 1.62391135 3.28457801 1.77461055 1.82126714 0.62257022 Fe 1.66515757 0.02281449 4.92702424 -0.18347339 -1.10624666 0.73992670 Fe 0.00147817 1.62583992 4.97888679 -0.30485688 0.97375717 -0.66779157 Fe 3.26867441 0.01681601 3.27121069 0.87440584 -0.73165103 0.64347496 Fe 4.92255544 1.68003279 3.26648819 0.39225373 -0.67963063 1.11257101 Fe 4.97839562 0.00179053 4.98048308 -0.62712467 -0.36604962 -0.99140500 Fe 3.28060317 1.62781238 4.97961992 0.41110969 0.94844023 -1.75995248 Fe 6.57435853 0.00819636 3.32420404 -0.55347333 -0.62026531 -1.07119494 Fe 8.21915967 1.61949439 3.30071756 1.05274884 0.79588682 -0.76695592 Fe 8.21790683 0.03035882 4.92769537 0.66279248 -0.78955232 0.89094401 Fe 6.60652178 1.65261758 4.93653637 -1.26715552 0.98962007 0.80692498 Fe 0.03206050 3.27523324 3.28028878 -1.32227223 0.54898273 0.56552664 Fe 1.63442606 4.95816128 3.32259175 1.29567880 0.30000126 -0.23445603 Fe 1.62004494 3.31068952 4.91941274 1.27881795 -1.00703974 0.57215940 Fe 0.03100217 4.98090383 4.96567673 -1.31831646 -0.52626843 -0.44068207 Fe 3.30837662 3.32196533 3.30279063 -0.56701125 -0.38846799 0.22795324 Fe 4.97549423 4.92692099 3.30595882 -0.68177630 0.35976386 0.04352653 Fe 4.92645035 3.27563356 4.97986099 1.05497350 0.29848144 -0.74675206 Fe 3.28550104 4.94829726 4.98373773 0.05587721 0.47990784 -0.67162501 Fe 6.60320536 3.26584003 3.27913928 -0.71680025 0.82902211 0.35640155 Fe 8.26235963 4.96082753 3.30350494 -0.05557816 0.19426192 0.23298589 Fe 8.26112424 3.26758948 4.91828676 0.14764145 0.62852288 0.46102962 Fe 6.57176381 4.97893302 4.96605661 1.03219030 -1.35938328 -0.41926342 Fe 0.01599427 6.57930252 3.28651552 -0.75128592 0.81092688 0.30132145 Fe 1.66081589 8.23892908 3.28930476 0.50732665 0.12280110 -0.18968190 Fe 1.63729080 6.62891200 4.97879486 1.37988146 -1.11419579 -1.04987571 Fe 0.01689097 8.26353489 4.92307478 -0.45551758 0.23863587 0.05509187 Fe 3.31709097 6.61582414 3.28119524 -0.39879530 -1.13296658 0.60156165 Fe 4.97376586 8.22801762 3.32291031 -0.40174486 0.91785152 -0.97278949 Fe 4.97935571 6.60024700 4.93807672 -1.18880057 -0.95833411 -0.58372545 Fe 3.32924656 8.23211023 4.97521941 -0.77498461 1.12893819 -1.07896785 Fe 6.61891389 6.59891762 3.27003963 -0.15859334 -0.46446217 0.69924408 Fe 8.25184625 8.25309289 3.28581238 0.21797491 -0.01591990 0.41652616 Fe 8.25981582 6.60855503 4.98496802 0.24951813 -0.52255659 -0.71264671 Fe 6.57229278 8.23067904 4.93606757 1.00324740 0.97437158 0.17313713 Fe 0.00678078 0.02591261 6.57623288 0.00592860 -0.71314013 0.12595839 Fe 1.67877501 1.64743760 6.61949069 -0.02079081 0.82172046 -0.74365182 Fe 1.64255347 0.01273780 8.23926211 0.85422750 -0.62180805 0.02788465 Fe 0.03218588 1.61872293 8.25318405 -0.60967619 0.92360544 0.05419461 Fe 3.32421681 0.00851806 6.57728887 -0.59105096 -1.16098992 0.87159121 Fe 4.93604240 1.62835760 6.60430566 0.62254704 1.07728485 -0.20441949 Fe 4.96389837 0.01411440 8.27026398 -0.47381962 -0.79494257 0.18031741 Fe 3.32042840 1.63865951 8.27166354 -0.44832609 0.38649200 0.27125385 Fe 6.58457391 0.03035535 6.61052243 0.61848073 -0.79453591 -0.20300042 Fe 8.24652510 1.66696358 6.61991720 0.21724150 -0.33967623 -0.73079757 Fe 8.26290098 0.00288208 8.26329926 -0.43500386 0.36582596 -0.33892816 Fe 6.56548216 1.63183680 8.25399357 0.48660407 0.84334535 0.61905972 Fe 0.00746473 3.29111789 6.56814562 -0.76276402 -0.31390792 0.51725160 Fe 1.62673152 4.90821031 6.61727019 1.33423665 0.97715998 -0.76698366 Fe 1.62954015 3.30697959 8.24734716 0.53654507 -0.71241241 0.56638111 Fe 0.00203740 4.95774773 8.24365207 -0.51114527 0.07147594 0.17191895 Fe 3.32241274 3.27555230 6.57152542 -1.05221615 0.49909640 1.03856239 Fe 4.95405567 4.96338655 6.60703597 -0.52287906 -0.22085796 -0.15550638 Fe 4.94205912 3.29211899 8.24204285 -0.11793670 0.13627497 0.41601544 Fe 3.27401417 4.93807161 8.24247239 0.55096500 0.26609086 0.06741428 Fe 6.59704474 3.29849321 6.62144447 -0.91325243 -0.52850270 -1.82392752 Fe 8.25998271 4.91621171 6.61516074 0.32662217 0.59292163 -1.13621144 Fe 8.21695576 3.29586662 8.21685898 0.74902439 -0.40429376 1.40906594 Fe 6.59820703 4.92825507 8.22072700 -0.45201255 1.05283286 0.90805720 Fe 0.01780236 6.60194311 6.57715603 -1.05852247 -0.30530777 0.63961984 Fe 1.62914746 8.21569277 6.60944762 1.24240273 1.32162500 -0.37805676 Fe 1.65362364 6.59872850 8.26008111 0.32471118 -0.41077638 0.03624772 Fe 0.02625316 8.27552567 8.21774798 -0.20868541 -0.26520640 0.18484052 Fe 3.32875857 6.62996246 6.56522679 -0.93049122 -1.69365992 1.00680883 Fe 4.93808367 8.22438006 6.58396259 0.72497662 1.51979404 0.37952894 Fe 4.95379030 6.62729392 8.23085127 -0.38492938 -1.23584427 0.71497949 Fe 3.29386625 8.25150480 8.26633255 -0.06738660 0.15330825 -0.13329519 Fe 6.58094659 6.61229887 6.56670181 0.36654086 -0.65146885 1.03238910 Fe 8.24170474 8.23586094 6.59612233 -0.23767708 0.46476225 0.06563469 Fe 8.24229877 6.59343905 8.23229740 -0.24969306 -0.30947470 -0.05876888 Fe 6.56463708 8.23242914 8.27515695 0.34123299 0.28788639 -0.31268263