108 Lattice="10.577550787951424 0.0 0.0 0.0 10.577550787951424 0.0 0.0 0.0 10.577550787951424" Properties=species:S:1:pos:R:3:forces:R:3 energy=-410.56216890648835 stress="-0.009987260700703326 -0.000302134454156925 -0.0014885868881634723 -0.000302134454156925 -0.007090451756278509 0.0023322219579459094 -0.0014885868881634723 0.0023322219579459094 -0.017214295834140463" free_energy=-410.56216890648835 pbc="F F F" Fe 0.01254262 0.02270379 0.03195650 0.34283619 0.34490343 0.42336134 Fe 1.76108029 1.79066881 0.01341514 0.35379949 -0.48432475 -0.56494908 Fe 1.78305279 0.01365529 1.79766072 -0.08279068 -0.42644824 -0.29836589 Fe 0.01805408 1.79365738 1.77659090 -0.36750607 0.16323738 -0.17594113 V 3.53251003 0.01701634 0.01137863 -0.47630296 0.51833452 0.41066145 V 5.27610132 1.74867711 0.01234082 0.29147023 -0.16341213 -0.48949252 Fe 5.23617730 0.01780942 1.80881929 0.23974477 -0.51163014 -0.44031102 V 3.51948565 1.80539036 1.76944955 0.13595960 -0.42524121 -0.50240791 Fe 7.01672229 0.03521267 0.00136156 0.16767999 0.37537135 -0.17517496 V 8.83926084 1.76681109 0.00531894 -0.82150714 -0.03971986 0.93275936 Fe 8.80179350 0.02351308 1.75867923 0.24047346 0.20844115 -0.11528294 Fe 7.03142570 1.73120715 1.75197714 0.17312999 0.80465508 0.19398714 V 0.03167674 3.52607174 0.00350124 0.13861322 0.28984013 0.25182783 Fe 1.77491853 5.28051800 0.03211976 0.00172368 0.45789201 -0.75024641 Fe 1.73640487 3.51933090 1.73971152 0.55151712 0.38808898 0.26963017 V 0.00954549 5.30509836 1.73855498 -1.02996231 -0.33426943 0.32524715 V 3.54177766 3.49496183 0.00975510 -0.44332614 0.37525559 -0.41083977 Fe 5.30714118 5.25387782 0.02177862 0.05258610 0.88489096 -0.67420319 V 5.29977499 3.55987343 1.75039638 -0.26744631 -0.47593696 0.43226407 Fe 3.51147001 5.31116820 1.74008732 -0.05891768 -0.19546565 0.27967693 V 7.04007358 3.53996303 0.02611375 0.06497517 -0.33161310 -1.08459604 V 8.77735879 5.27764458 0.05613418 0.23434091 -0.23937981 -0.29113547 Fe 8.77966958 3.53264481 1.79481634 0.25214296 -0.42099697 -0.12052385 V 7.02741754 5.26762293 1.74166071 0.63656826 0.93478768 0.37556463 V 0.01280946 7.03195959 0.03414129 0.42184002 -0.31879570 0.30061505 V 1.76191193 8.78337667 0.02018661 0.28269473 -0.00534425 -0.11265090 Fe 1.74479198 7.07012859 1.79814094 0.71220366 0.05838971 -0.47699733 Fe 0.03081934 8.84181740 1.73833786 0.19941173 -0.30008263 -0.16938490 V 3.55700986 7.05746087 0.00264152 -0.57002942 -0.16336771 -0.44360820 V 5.31773548 8.80970423 0.03434732 -0.30354379 0.38417502 -0.36544460 Fe 5.25579932 7.06575725 1.75815172 1.04163635 -0.75381889 0.45591835 V 3.55031782 8.82386774 1.77997154 -0.83549859 0.75968382 -0.38962224 V 7.07876594 7.08865997 0.02575993 -0.45858474 -0.36999820 -0.33416513 Fe 8.81384565 8.82609658 0.02873982 -0.55608027 -0.73386854 0.35470304 V 8.81841012 7.06061764 1.76788727 0.81894609 0.12189500 0.73240527 Fe 7.06852351 8.78445593 1.80292397 -0.50931993 0.43975222 -0.18327979 V 0.02240872 0.02842786 3.48851734 0.25615538 0.50773144 0.40719373 Fe 1.74252702 1.79505297 3.50160300 0.40632106 -0.33679659 0.31174860 V 1.74643273 0.01903482 5.26419052 0.22334825 -0.89938215 0.59555666 Fe 0.02848651 1.77296311 5.29790367 -0.78813805 -0.33865244 -0.32067626 V 3.51870560 0.02885861 3.49972173 -0.88475285 -0.25326049 0.36394648 V 5.29693592 1.74597762 3.49300384 0.18596913 0.54647349 0.45424678 V 5.32106228 0.02895469 5.26081859 -0.85285819 -0.74471663 0.64895123 Fe 3.51216528 1.78381132 5.27287947 0.30038676 -0.24834793 -0.07433188 Fe 7.01698930 0.01535469 3.52903948 0.30262037 -1.02449638 -0.27016162 V 8.78275635 1.76676512 3.55239476 0.38115421 -0.17748206 -0.72189812 Fe 8.77396890 0.01514426 5.28626348 0.04366745 0.09588773 -0.12417403 V 7.06558297 1.73710617 5.27923009 0.36213271 0.24370084 0.22171746 V 0.01496435 3.53324618 3.54576166 -0.44506408 -0.01723097 -0.44978093 Fe 1.75770331 5.29953646 3.51136041 0.63917427 -0.31681076 0.22603129 Fe 1.73809813 3.54503615 5.29241000 0.71687534 -0.39821973 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5.26187415 8.81464363 3.49257303 0.47983712 -0.10583183 0.45902765 V 5.26859566 7.03990732 5.26258190 0.81301638 0.58747980 0.12298083 Fe 3.50252890 8.83578569 5.31288147 0.33079104 0.25314154 0.04054932 V 7.08228330 7.03990141 3.52738774 -0.62804894 0.06585272 -0.41360285 Fe 8.81841000 8.84774239 3.52115866 0.27607715 -0.44424864 0.39868561 V 8.79899336 7.02579695 5.29230374 1.03401512 0.25506421 -0.63546545 Fe 7.07458458 8.78631690 5.27710034 -0.08536039 0.54594112 0.27091879 V 0.02220443 0.02089202 7.03137024 0.02481191 -0.05452149 -0.47450390 Fe 1.73007768 1.73712917 7.07752135 0.71769215 0.68899904 -0.28135070 V 1.75848887 0.02101308 8.84837234 0.66317497 0.06884060 -0.51364564 Fe 0.02761098 1.71679388 8.78126452 -0.04421222 0.15106614 0.19568005 Fe 3.55084325 0.02426314 7.08343285 -0.58425149 -0.22551526 -0.59246662 Fe 5.31404614 1.77865414 7.07481459 -0.63216032 -0.74102110 -0.58519341 V 5.24954046 0.02641687 8.84615598 0.06368799 0.06271282 -0.31846279 V 3.50735664 1.77726711 8.81975022 0.38146277 0.26852623 0.78428892 Fe 7.04383481 0.00355727 7.02629456 -0.19559913 -0.16558091 0.79526749 Fe 8.80808699 1.78871057 7.09296010 0.56050923 0.09255596 -0.54056858 Fe 8.78021458 0.02930849 8.82034450 -0.58753935 0.56643705 0.01196376 V 7.02091861 1.78416583 8.78289919 0.21135102 -0.52881884 0.91401269 Fe 0.03084025 3.54149166 7.02198304 -0.42952579 0.23483436 0.38276552 V 1.75326582 5.28373936 7.08114149 -0.24801869 0.32713248 -0.57230171 Fe 1.73932395 3.51109495 8.83912230 0.42636333 0.45173700 0.26822323 V 0.02938311 5.31783472 8.82828330 0.26042892 -0.13823845 -0.20171941 V 3.53876996 3.52370250 7.07050333 -1.18273878 -0.04443469 -0.63857554 Fe 5.28195775 5.27755100 7.05586994 0.25147686 0.57806996 -0.81103862 V 5.32210811 3.55897844 8.78624499 0.21212005 -0.21013817 0.98150171 V 3.53211656 5.28254795 8.80741171 -0.29703619 -0.54816496 1.05810042 V 7.05791402 3.50209946 7.02443483 0.04790187 0.26370718 0.34334806 V 8.83527363 5.26291035 7.02650671 1.07279987 0.49692952 0.16892828 V 8.79609860 3.52262037 8.83433717 -0.30404051 0.28465099 -0.10023595 V 7.06616480 5.31272430 8.77942919 -0.26550241 -0.35504422 1.29034664 V 0.01067813 7.05495540 7.04930493 -0.34188087 -0.08251265 -0.53684837 Fe 1.75121844 8.80243011 7.06706773 0.48866398 0.16367298 0.08053650 V 1.77294441 7.04218622 8.79647893 -0.27861877 0.34269301 0.67010805 Fe 0.02920775 8.81496078 8.81106878 0.49035257 -0.91917024 -0.32327575 Fe 3.53289085 7.02955583 7.07775040 -0.05525280 0.42047927 -0.65094037 V 5.31881486 8.84130309 7.02028480 -0.14624559 0.19426381 0.33356215 Fe 5.28259207 7.04857325 8.81110098 -0.17795457 0.18892960 0.04763372 V 3.55288553 8.84639450 8.78672915 0.44578935 -0.33187728 -0.14572144 Fe 7.07342216 7.04392870 7.06200415 -0.38829308 -0.15110172 -0.61625596 V 8.80883775 8.79453274 7.05441453 -0.15406606 -0.03766761 0.05770280 V 8.82600326 7.06470000 8.82715846 -0.06132968 -0.26042494 -0.34993811 V 7.06106946 8.78048787 8.81279585 -0.51236599 -0.20332150 0.20083460