32 Lattice="7.0555817014193 0.0 0.0 0.0 7.0555817014193 0.0 0.0 0.0 7.0555817014193" Properties=species:S:1:pos:R:3:forces:R:3 energy=-406.95156353352274 stress="-0.0025604303868040777 -0.0012539580438030932 -0.0015337464732333242 -0.0012539580438030932 -0.003164216744774299 0.001359061668879293 -0.0015337464732333242 0.001359061668879293 -0.003439608552856451" free_energy=-406.95156353352274 pbc="F F F" Fe 0.01059424 0.00142045 0.02963792 0.50371360 0.57707009 0.52991577 Fe 1.79380353 1.78914195 0.00356145 -0.59956909 -0.51358116 -0.51627837 Fe 1.79807514 0.00864893 1.75615763 -0.69013810 -0.53969396 -0.25712684 Fe 0.02706474 1.79008062 1.79377071 -0.37998029 -0.52367981 -0.36755662 Fe 3.56168195 0.01723489 0.03098880 0.09207727 0.02073273 -0.09116987 Fe 5.31835884 1.75825747 0.04082056 -0.09237494 0.01758906 0.03250407 Fe 5.28420217 0.04407158 1.76683846 0.11886542 -0.10327114 -0.05331469 Fe 3.49868750 1.73172954 1.76236475 0.52952335 0.28738649 -0.08109855 Fe 0.02270303 3.51433883 0.02853272 0.12631998 0.24543366 0.07750640 Fe 1.79216192 5.29150633 0.03237419 -0.19455677 -0.18457565 0.01878267 Fe 1.77989290 3.52644237 1.79644530 -0.35578500 0.40482705 -0.38579137 Fe 0.00256382 5.30516263 1.74315052 0.18027867 -0.20956313 -0.08850802 Fe 3.52695416 3.49277262 0.02406476 0.46161344 0.43642385 -0.42859410 Fe 5.27572522 5.26517068 0.01759206 -0.45365760 -0.47901891 0.44808583 Fe 5.30326920 3.51168018 1.80293804 0.27350626 0.30556561 -0.33833048 Fe 3.53239799 5.30277773 1.74611775 0.37717115 0.37802563 -0.02170065 Fe 0.00805558 0.00298610 3.53446598 0.25843255 0.19174348 0.10169547 Fe 1.79322534 1.77651273 3.54717101 -0.57488012 -0.41963983 0.23672470 Fe 1.77843420 0.00597918 5.29298915 -0.09976480 0.06755131 -0.15103496 Fe 0.01840913 1.73321390 5.32380448 0.20380915 -0.05838432 -0.27829193 Fe 3.52932384 0.00078889 3.49504480 0.21956458 -0.60037874 0.55037948 Fe 5.26499099 1.74938509 3.53630808 0.44618847 -0.06970875 0.31931740 Fe 5.27499180 0.01325347 5.26290616 -0.47354214 0.42607166 -0.39442101 Fe 3.51403332 1.78753199 5.28525139 0.35702140 -0.38153351 0.56848469 Fe 0.00726549 3.54942370 3.53881285 -0.51956423 0.14531338 0.29709069 Fe 1.74024438 5.29385194 3.54831998 -0.08787150 0.59752675 0.13216290 Fe 1.75018735 3.54350883 5.28720268 -0.24555909 0.23907952 0.57906501 Fe 0.01637696 5.29372961 5.30137642 0.34916235 -0.33335889 -0.33276150 Fe 3.50473336 3.54000361 3.52829106 0.68658300 0.46563605 0.35375472 Fe 5.31285681 5.32583988 3.52108103 -0.37261479 -0.37516017 0.26647315 Fe 5.30045940 3.50781593 5.32430673 -0.28448010 0.29286267 -0.39980477 Fe 3.52624281 5.30117912 5.32486588 0.24050792 -0.30729104 -0.32615921