32 Lattice="7.080894895975144 0.0 0.0 0.0 7.080894895975144 0.0 0.0 0.0 7.080894895975144" Properties=species:S:1:pos:R:3:forces:R:3 energy=-98.0265830818299 stress="-0.008800676769094283 7.885616179672098e-05 0.00046708936184910744 7.885616179672098e-05 -0.008111251950249882 -0.0004711289066395973 0.00046708936184910744 -0.0004711289066395973 -0.008540755217216721" free_energy=-98.0265830818299 pbc="F F F" Fe 0.02080658 0.01432907 0.03434747 0.25594285 0.18491826 0.17821946 Fe 1.78892904 1.78899731 0.01205255 -0.20272702 -0.22639610 -0.37872370 Fe 1.75557270 0.00379385 1.80499569 0.32839437 -0.36267015 -0.20948011 Fe 0.01518328 1.74826242 1.78321809 -0.48983657 0.17254957 -0.18672664 Fe 3.51299778 0.02114090 0.01027598 0.10499734 0.03522486 0.13110151 Fe 5.32828884 1.77401133 0.02781536 -0.15366776 -0.08296894 -0.07966754 Fe 5.30772607 0.00913259 1.80245284 -0.08636153 0.01329871 -0.16347725 Fe 3.53932676 1.79244299 1.77726704 0.09709291 -0.25310170 0.07850334 Fe 0.03929117 3.54919959 0.03902327 -0.15838996 -0.12639985 -0.10543073 Fe 1.76442277 5.30115190 0.03445066 0.15789505 0.13542607 -0.07252014 Fe 1.76919163 3.51980710 1.78174082 0.03492962 0.27287467 0.02825475 Fe 0.03138912 5.32250073 1.76019886 -0.16499184 -0.02340729 0.15888600 Fe 3.51447996 3.55645365 0.00919758 0.17830373 -0.06499155 -0.45121767 Fe 5.29250406 5.27911991 0.02467682 -0.09350177 -0.13203180 0.09233034 Fe 5.31275383 3.51398802 1.73930137 0.32083401 0.15386296 0.40987021 Fe 3.56959463 5.31136850 1.76978178 -0.22120268 0.28148268 0.07689825 Fe 0.02835383 0.01752552 3.51307247 -0.12105571 -0.00327243 0.32687556 Fe 1.77464829 1.79099755 3.53347370 -0.06852067 -0.18300161 0.27418737 Fe 1.78197368 0.01239291 5.31295365 -0.07194468 0.08506835 -0.09528582 Fe 0.01141021 1.79847473 5.34127957 0.18806860 -0.06923418 -0.12055859 Fe 3.56258437 0.01460030 3.57319711 -0.19922217 -0.45114002 -0.13234241 Fe 5.30571223 1.73627120 3.56202297 0.40458408 0.34808379 -0.09719847 Fe 5.30074029 0.03176240 5.32222798 -0.22432625 0.18909164 -0.08933851 Fe 3.51447558 1.81054182 5.27547705 0.15817211 -0.10682772 0.62027972 Fe 0.01415509 3.51726468 3.55612111 -0.47949948 0.11138152 -0.09178765 Fe 1.73504926 5.29592663 3.53306169 0.24514323 0.50459164 -0.00060980 Fe 1.77920858 3.59009398 5.32323839 -0.18089549 -0.25641501 0.46892739 Fe 0.02504785 5.27906664 5.30639640 0.03193857 -0.12193909 -0.11958350 Fe 3.50861435 3.55951365 3.56266291 0.43555260 0.07044354 -0.34151344 Fe 5.30230768 5.34152027 3.52557537 -0.02924806 -0.17653000 -0.02428834 Fe 5.32158001 3.55442232 5.28029398 0.03743743 -0.09852854 -0.05118514 Fe 3.55958869 5.27590250 5.32702836 -0.03389484 0.18055771 -0.03339846