108 Lattice="11.889324067304363 0.0 0.0 0.0 11.889324067304363 0.0 0.0 0.0 11.889324067304363" Properties=species:S:1:pos:R:3:forces:R:3 energy=-183.03727240685117 stress="-0.008906242927114916 0.0023533193747159588 -0.004890547558570093 0.0023533193747159588 -0.002335014602008162 0.003160228330397597 -0.004890547558570093 0.003160228330397597 -0.00865478728524649" free_energy=-183.03727240685117 pbc="F F F" Fe 0.01530410 0.01013671 0.03867040 1.14135032 1.21013903 1.15612559 Fe 1.97885155 1.99793161 0.03084234 0.09674117 -0.01844384 1.39752108 P 1.97810133 0.01023420 1.95776034 0.03074292 -3.28966777 -1.55910652 P 0.00866622 2.00746758 1.95413434 -1.64229013 -0.24390501 0.22964770 Fe 3.95575103 0.03476878 0.00876481 0.10667459 1.42816644 1.50085305 P 5.92599554 2.01194850 0.00397659 0.34772344 -3.76986268 -5.17360746 P 5.91933501 0.03647108 1.99768950 -1.42738686 -5.20644706 -1.58481374 P 3.99092596 2.00653851 2.00897705 -3.77397599 -1.93743551 -1.81823648 Fe 7.89410644 0.03115317 0.00916453 -0.12914551 1.53358390 1.49259242 Fe 9.91673871 1.99847868 0.02424273 -1.53933056 0.01588000 1.37244830 Fe 9.88406141 0.00117906 1.94695121 -1.51182686 1.44438581 0.07803660 P 7.91794291 2.00651200 1.98241646 4.97204837 -1.73259788 0.27068833 P 0.01241494 4.01208276 0.04521562 -0.41450328 -0.04339276 -0.30301925 P 1.96447081 5.94008145 0.02523736 0.53741043 -1.76099857 -0.12882892 Fe 1.98394161 3.94245548 1.98921542 0.18594718 0.24770437 -0.05812535 Fe 0.02925800 5.96228874 1.95686449 1.54529707 0.04662661 -0.07308334 P 3.98481631 3.92777269 0.00133890 -2.26239081 2.26632680 -1.96430684 Fe 5.91670748 5.87626896 0.02138902 -0.13591770 0.07956563 1.42823097 P 5.95048972 3.96268918 1.95737357 1.81008542 6.89691420 1.90679948 Fe 3.89543734 5.97884859 2.00111911 0.12724990 -0.02750202 -0.15284505 P 7.92818147 3.97958656 0.03154241 1.76894328 3.52174069 -3.50660679 Fe 9.92304622 5.93706890 0.03629914 -1.41120513 0.01549870 1.29945734 P 9.94726218 3.95878988 1.96985671 1.72155099 1.60129970 1.61969227 Fe 7.88785548 5.94691785 1.99600461 -0.08171736 -0.01121964 -0.22963729 P 0.03628595 7.93697529 0.02971851 -4.06539797 -0.22587021 -0.43249671 P 1.95853656 9.88837103 0.06225513 0.37439940 3.96736953 -0.42657597 P 1.95817021 7.92132961 1.96100839 0.67354415 1.51022687 2.32529273 Fe 0.03459172 9.87670610 1.93497609 1.41823538 -1.48927093 -0.00632439 P 3.97194938 7.91444155 0.02156662 1.76621565 -1.61962638 -1.57104035 P 5.98172691 9.91523892 0.05828167 -0.13410570 3.41348848 -0.15538856 P 5.94331840 7.90613234 2.01795434 0.19139960 -1.79040429 1.36856527 Fe 3.94129374 9.91361974 1.97847329 -0.04395467 -1.61217792 -0.21688945 P 7.94569019 7.94276799 0.03689817 1.56417022 -3.43653717 0.10543169 P 9.90290674 9.93692679 0.01300111 0.43886849 0.41712426 1.28134612 Fe 9.91652227 7.94844960 1.95725189 -1.46862504 0.16445575 -0.09851374 Fe 7.91701536 9.91055008 1.97882196 0.05349971 -1.34866930 -0.18092017 Fe 0.01360756 0.00740256 3.91722303 1.44065510 1.37102246 0.01831098 P 2.00920605 2.01236172 3.92833635 -3.69064670 1.66582693 1.78115151 P 2.01202737 0.02646440 5.93104591 -1.89084013 -3.71233991 -0.02277081 Fe 0.02079827 2.02212626 5.97958425 1.27503118 -0.25401282 -0.37866077 Fe 3.97504078 0.03531047 3.96532987 0.22496281 1.55019582 -0.00285521 P 5.94153345 2.01057176 3.96200485 0.70370928 1.17673237 2.30613117 P 5.93610719 0.01455237 6.00618688 -3.26029542 -4.97963416 -0.54119897 P 3.92337935 1.96081254 5.92493656 0.46333611 1.97611675 1.80094475 P 7.96532858 0.00417680 3.95389237 4.54657806 -3.14886279 0.17846036 Fe 9.89091248 1.99681236 3.94574779 -1.56199382 -0.12868688 0.00644950 Fe 9.88651535 0.00628240 5.94555854 -1.50642227 1.31223203 -0.03929005 P 7.93562062 1.95149772 5.98207082 4.80975798 3.57637459 -2.01147157 Fe 0.01620297 3.97454586 4.01298944 1.53078034 -0.00610159 -0.28784219 P 1.96253652 5.96526316 3.93548146 -2.39976708 -5.42438972 -1.13059069 Fe 1.97375387 3.95787800 5.93733525 0.39485690 0.19882308 -0.13740534 Fe 0.03344340 5.88182119 5.98318359 1.46085439 0.37519657 -0.00047370 P 4.01065327 3.93488956 3.95114216 -0.55571847 4.48349352 0.37267430 Fe 5.94443579 5.95764890 3.95800614 -0.21725432 -0.27014857 0.01548442 Fe 5.93398818 3.88857861 5.93358965 -0.17183914 0.05094269 -0.05429682 P 3.98286658 5.91069427 5.95636268 1.07349321 -2.92797246 1.13178520 Fe 7.93870711 3.90822979 4.00202954 -0.42706091 0.00848137 -0.18705887 Fe 9.92800524 6.00204885 3.89280552 -1.43132224 -0.23478038 0.01157280 Fe 9.92664374 3.96776969 5.91197023 -1.49257045 -0.06843909 0.04504619 P 7.93483068 6.00551047 5.93925248 1.61648293 -0.36933824 -1.05789550 P 0.03380968 7.91322446 3.92478813 -3.81476490 1.78708299 0.04018082 Fe 1.97004226 9.88058090 3.95186385 0.01679843 -1.50899040 0.11883566 P 1.96793817 7.96291566 5.91399161 -0.96550441 1.19138394 -0.34533866 Fe 0.01198874 9.93086727 6.00384568 1.48097400 -1.46264540 0.09005153 P 3.98566360 7.94255190 3.94346958 2.72221104 2.78375253 0.38614326 Fe 5.93340600 9.89454756 3.93241451 -0.01150534 -1.44413806 0.07793264 Fe 5.99898995 7.90356625 5.97276792 -0.25276371 0.03792646 0.04523952 Fe 4.00994411 9.93809433 5.99614830 -0.26051044 -1.67307927 -0.01875527 P 7.90835943 7.89524228 3.99651495 -0.09145847 -1.40146879 -2.02984851 P 9.89818321 9.90461094 3.99011235 1.92758364 0.09166151 -1.86096856 Fe 9.90752382 7.90374502 5.92745436 -1.32674262 0.22246076 0.02476287 P 7.95332406 9.90866991 5.93805639 -3.61403724 0.00129813 1.55277087 Fe 0.03699454 0.00514587 7.91761699 1.24072752 1.17815222 -0.12468021 P 1.94471563 2.00569938 7.89354553 -1.57017536 1.79701406 3.26295372 Fe 1.93878771 0.01084931 9.90591678 0.23454628 1.16294531 -1.33058506 Fe 0.01419733 1.91518242 9.86889523 1.12043643 0.12083878 -1.12701677 Fe 3.95784542 0.03037839 7.90512934 0.26555485 1.36300511 -0.13706511 P 5.92183901 2.01688264 7.93569002 -3.28812457 2.01516298 1.34049505 P 5.93305637 0.03231644 9.89417295 -1.76427862 -0.21681975 1.93856763 Fe 3.96533894 1.97305390 9.88331131 0.32745151 -0.05350527 -1.40511965 P 7.90829901 0.02321491 7.92556860 5.22780747 -1.81603573 1.97136709 Fe 9.94112369 2.00446045 7.91983159 -1.72858562 -0.09505956 0.05951844 Fe 9.87755985 0.03367770 9.92730449 -1.19779385 1.13873677 -1.17684083 Fe 7.94743432 2.05889840 9.89976891 -0.16056584 -0.19861763 -1.42068145 Fe 0.02155909 3.96036531 7.92132362 1.30375358 0.17568548 0.01641140 Fe 2.05183198 5.93889967 7.97078291 -0.19469167 0.44626647 -0.15078904 Fe 1.97262471 3.95232771 9.93492282 0.13965057 0.28074914 -1.35780096 P 0.04229021 5.96442223 9.92714404 -0.35792436 -3.64448227 0.27085070 Fe 3.95546324 4.02862392 7.93363498 0.45329598 -0.17388208 -0.22833581 P 5.92638399 5.98475751 7.91845922 -0.94729421 -0.39938495 -1.28617622 P 5.93859336 3.96004175 9.92012667 -3.22264047 -1.53913678 3.13001911 Fe 3.97834371 5.95607396 9.89357349 0.07805451 0.19380365 -1.32802593 P 7.95022474 4.00053483 7.90048180 4.57168647 -1.60684770 -0.06860212 Fe 9.91552408 5.97400821 7.90028249 -1.48024794 -0.06649226 0.08397504 Fe 9.87438828 4.00183863 9.91401851 -1.40910825 -0.00781395 -1.33911182 P 7.90786432 5.91027332 9.94679102 4.84551861 1.78033118 1.52199811 P 0.03571037 7.90363260 7.91573705 -3.59366419 -1.73606835 -3.37435805 P 1.97108591 9.88051034 7.89662098 0.16432219 5.44554513 -2.90637339 P 1.97308434 7.91993846 9.87644726 2.20116486 -3.17086020 3.45141660 P 0.02857990 9.88928939 9.94499427 -2.06397115 2.02850925 1.96857177 P 3.94740693 7.93578109 7.91734093 1.81314074 -0.01660800 -1.74239292 Fe 5.89024934 9.87799551 7.90883135 0.00576293 -1.46249132 0.21156943 P 5.98245904 7.94991135 9.91499353 1.56052802 1.57359872 1.46307224 P 3.99697760 9.91030666 9.94716309 1.33496936 3.23625539 1.44924235 Fe 7.98859631 7.91647581 7.93857859 -0.37916613 0.07585952 0.05729076 P 9.84081970 9.89150638 7.93399628 0.46938764 -1.42561877 1.83482416 Fe 9.90151289 7.94328856 9.90883209 -1.34688400 -0.05610844 -1.35052168 Fe 7.97477276 9.91591264 9.87794440 -0.22801471 -1.38906997 -1.26723599