108 Lattice="10.697518379248658 0.0 0.0 0.0 10.697518379248658 0.0 0.0 0.0 10.697518379248658" Properties=species:S:1:pos:R:3:forces:R:3 energy=-357.74300065466184 stress="-0.007024573963431524 -0.00035100901291368813 1.5334450150805553e-05 -0.00035100901291368813 -0.007113004257822592 -0.00040565553274782615 1.5334450150805553e-05 -0.00040565553274782615 -0.006933450902660233" free_energy=-357.74300065466184 pbc="F F F" Fe 0.03148049 0.01381150 0.02523628 0.50827801 0.57116005 0.51557406 Fe 1.79653465 1.81163593 0.03508775 0.00355375 -0.17277866 -0.60360707 Fe 1.76647492 0.00345257 1.75896886 0.04895327 -0.53888756 0.00494011 Fe 0.00996695 1.81028034 1.79860719 -0.52852651 -0.09863820 0.00044108 Fe 3.56060854 0.00150192 0.00230942 -0.01243686 0.20891001 0.19681557 Fe 5.37362999 1.78181914 0.03564863 -0.19043265 0.17427676 -0.50298762 Fe 5.35739440 0.03022319 1.78290216 -0.03512707 -0.53495757 0.05352608 Fe 3.53541568 1.80804625 1.81395702 0.21048373 0.09903605 -0.15384293 Fe 7.13669298 0.03305213 0.00063346 -0.05645448 0.14702572 0.15073477 Fe 8.94708024 1.77854504 0.00659745 -0.21467172 0.07709638 0.13581850 Fe 8.91409018 0.01477169 1.75359557 -0.16576814 0.13052959 0.14077539 Fe 7.14222874 1.78742705 1.81570993 -0.02905378 0.12203615 -0.20840462 Fe 0.05967067 3.58746552 0.05266306 -0.21018661 -0.15666790 -0.23651463 Fe 1.78193402 5.34609089 0.03205725 0.16458027 0.26008776 -0.56141849 Fe 1.78232023 3.57526184 1.80283452 0.32590779 -0.14812740 0.31145252 Fe 0.01925758 5.33332452 1.76958734 -0.59980571 0.34171572 0.23482164 Fe 3.54386969 3.59490185 0.00798987 0.10293521 -0.16960135 -0.45612803 Fe 5.31658398 5.34795929 0.03325367 0.26532878 0.00780139 -0.44369185 Fe 5.33240914 3.55628326 1.79658371 0.12140507 0.10648115 0.12974932 Fe 3.54141829 5.32675179 1.81764277 0.08504689 0.07118196 0.22054166 Fe 7.14740575 3.54131006 0.00360011 -0.16076184 0.06934396 -0.42893846 Fe 8.91860629 5.38073960 0.00432490 -0.11893505 -0.05218429 0.03262905 Fe 8.91048402 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3.55072941 0.08307387 -0.01000463 -0.00883465 Fe 1.81115114 1.74833670 3.55585117 -0.09343198 0.38077545 0.16709254 Fe 1.76894756 0.02679946 5.40706202 0.32766436 -0.50904279 -0.22131187 Fe 0.00857744 1.75999710 5.35153192 -0.55035294 0.24372442 -0.07265800 Fe 3.57305945 0.02609253 3.52217473 -0.02804145 -0.55175754 0.19428177 Fe 5.37270186 1.81433420 3.54313443 -0.10998224 0.17422635 0.24486311 Fe 5.34243444 0.02438609 5.32137361 0.01257695 -0.51389966 0.14466912 Fe 3.58262192 1.79647309 5.34896915 -0.14519530 0.10754677 0.13435378 Fe 7.12076394 0.02824128 3.55782414 0.05153520 -0.56148295 0.11945237 Fe 8.90054010 1.77267232 3.54605345 0.49251565 0.14652966 0.23440428 Fe 8.93836999 0.00477343 5.39486458 -0.25965475 0.17321452 -0.10774315 Fe 7.10278406 1.78545434 5.39284760 0.02318418 0.14910299 -0.27282696 Fe 0.01457391 3.59728980 3.55932841 -0.47812512 -0.22843983 0.14576099 Fe 1.76731463 5.33530560 3.54696694 0.33656575 0.12574611 0.18678723 Fe 1.77149926 3.53247468 5.37033701 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7.15216550 8.93119057 8.92705783 -0.12706592 -0.21009990 -0.24825374