32 Lattice="7.080894916700729 0.0 0.0 0.0 7.080894916700729 0.0 0.0 0.0 7.080894916700729" Properties=species:S:1:pos:R:3:forces:R:3 energy=-98.00425847281198 stress="-0.0072229638457964145 0.00019789407519453707 -0.001843903905045093 0.00019789407519453707 -0.0062509752751032386 -0.0003203240461313063 -0.001843903905045093 -0.0003203240461313063 -0.007587047980776867" free_energy=-98.00425847281198 pbc="F F F" Fe 0.03428264 0.00245446 0.01850436 0.16962539 0.31097215 0.15909437 Fe 1.80558534 1.80117066 0.02730432 -0.32096362 -0.10554896 -0.54078047 Fe 1.74553466 0.03128861 1.75028332 0.15048443 -0.45092067 0.07023393 Fe 0.00265246 1.79930371 1.77510110 -0.44247558 -0.17001272 -0.14910804 Fe 3.56722179 0.02242707 0.05261968 -0.13075663 -0.13445021 -0.16242520 Fe 5.31995154 1.77255144 0.01173837 0.03435855 0.13846561 -0.08778545 Fe 5.31668823 0.03325060 1.76944049 0.05348121 -0.03928626 0.21082818 Fe 3.55196587 1.79908254 1.74527830 -0.16647972 -0.16593118 0.42402529 Fe 0.00943290 3.56747947 0.01689263 -0.07077067 -0.10043066 -0.12791866 Fe 1.78351536 5.30104598 0.02250149 -0.06703324 0.14443017 -0.09222847 Fe 1.73547024 3.56899301 1.76661747 0.44089719 -0.29763783 0.19572745 Fe 0.01175936 5.28632354 1.80405480 -0.21344376 0.20327141 -0.11522982 Fe 3.53832991 3.55956109 0.02860445 0.12726936 0.07399375 -0.52977634 Fe 5.29015529 5.31983726 0.02897809 -0.16955845 -0.17588233 0.15725480 Fe 5.28443447 3.54864177 1.77083439 0.54367854 0.17885119 0.03954016 Fe 3.53457362 5.34309175 1.76256735 0.09174393 0.27633737 0.17755643 Fe 0.02907457 0.00967147 3.54855486 -0.12315710 -0.05241383 -0.00887134 Fe 1.74916156 1.73536879 3.55586572 0.16178670 0.40352038 -0.11544628 Fe 1.76283606 0.00385589 5.33732558 0.05643735 -0.04032908 0.03786138 Fe 0.00955532 1.76770142 5.33637088 -0.00570479 0.04812917 -0.02754005 Fe 3.51452160 0.01710809 3.54041410 0.21513001 -0.29357848 -0.00446226 Fe 5.30945030 1.78525004 3.54177660 0.31348431 -0.19411118 0.08258092 Fe 5.33066503 0.01080562 5.29612135 -0.38431549 0.36690679 -0.32358257 Fe 3.51551767 1.78948905 5.31432084 0.18286535 -0.13245509 0.35898879 Fe 0.00823436 3.53103671 3.54518521 -0.52097329 -0.04100598 0.15581321 Fe 1.76444126 5.29620628 3.51748098 0.13083458 0.50235822 0.29597302 Fe 1.73619917 3.56785093 5.29436871 0.26595067 -0.10887942 0.39976731 Fe 0.01237513 5.27631836 5.32241340 0.12143816 -0.09815922 -0.26609205 Fe 3.54016784 3.52248561 3.53608825 -0.11225225 0.26228663 0.08507467 Fe 5.29955821 5.33022691 3.55868062 -0.08231916 -0.17637044 -0.08471335 Fe 5.33840028 3.52112570 5.31472359 -0.16227622 0.09051308 -0.09663378 Fe 3.55556814 5.32025541 5.31503647 -0.08698576 -0.22263238 -0.11772576