32 Lattice="49.67723579406741 0.0 0.0 0.0 49.67723579406741 0.0 0.0 0.0 49.67723579406741" Properties=species:S:1:pos:R:3:forces:R:3 energy=-79.672485235775 stress="-0.0005162816648226582 9.064039251021038e-05 -6.968935885148911e-05 9.064039251021038e-05 -0.00044192180075109647 7.106063643421334e-05 -6.968935885148911e-05 7.106063643421334e-05 -0.0004268188280464982" free_energy=-79.672485235775 pbc="F F F" Fe 25.01317726 24.59154246 24.88262384 -1.91931189 -0.15868047 -1.92674103 Fe 26.54058725 26.65997860 24.90905928 0.53886078 -1.31675232 -2.29058883 Fe 26.46472859 24.72209998 26.38185839 3.28440073 -1.30788926 2.43011119 Fe 25.03405744 26.40618339 26.74187808 -1.39335221 3.50760176 -1.99866394 Fe 28.43689638 24.72158627 24.96756737 -1.94912625 -0.71848955 -1.57847131 Fe 29.88711994 26.58370887 25.06695634 1.79048114 0.96063058 -1.89361349 Fe 30.07761199 24.75167981 26.42723840 2.60309873 -0.43354803 0.90028962 Fe 28.14327145 26.79458733 26.41877213 0.41261133 -1.17123745 2.67277129 Fe 25.00036986 28.23418166 24.77676263 -2.21591614 -0.15059966 -0.74028758 Fe 26.55697649 29.92786622 24.81337137 0.42505779 2.49311992 -1.89595731 Fe 26.54331787 28.35792682 26.64038400 0.72222851 -0.41389967 1.20313164 Fe 25.08354452 29.93296662 26.43176999 -2.64693622 1.91430234 2.22021470 Fe 28.20166985 28.53882692 24.79440993 1.96007000 -0.99676868 -1.10695804 Fe 30.26126496 30.37646938 24.66212978 -0.79840317 -0.72983685 0.66275998 Fe 29.91364831 28.26105272 26.79683232 1.60438644 1.25204188 -1.57333443 Fe 28.37912777 30.00779110 26.67130454 -0.21403112 1.48712631 -0.11940775 Fe 24.83562381 24.98951048 28.24386956 -1.06656696 -2.85153688 1.91741316 Fe 26.72199221 26.66031884 28.60466485 -4.94906959 0.21181789 -8.54174842 Fe 26.62275282 25.04884080 30.13144552 0.77454272 -6.60257030 1.71271798 Fe 25.10492191 26.43412035 30.15271317 -4.35647167 1.94476114 1.88234797 Fe 28.58578018 24.81617049 28.03244454 -1.73314218 -0.64124124 1.29999957 Fe 29.95489554 26.76901609 28.40378982 0.91339890 -4.20625908 -2.73018003 Fe 30.06093535 25.06988917 30.27303192 0.37821364 -0.33017451 0.11615886 Fe 28.18043419 26.38884749 29.92638180 7.78350378 0.85879594 6.77931904 Fe 24.95208525 28.06927425 28.48830104 -1.79119667 1.92193159 -1.04751271 Fe 26.84999842 30.28282650 28.55670178 -1.26250581 0.29137934 -1.23347802 Fe 26.32977462 28.44805802 30.32775990 2.01459073 -0.64643496 1.26830257 Fe 24.92132142 30.18627947 30.21214515 -0.85321032 0.89615144 -0.23076517 Fe 28.19169893 28.29122189 28.63506233 -0.48472606 1.57886397 -1.26361719 Fe 30.00701463 29.82047276 28.62970556 1.79094138 2.34565675 -2.44313100 Fe 30.09986531 28.13882787 29.92581125 1.72526044 0.47084444 5.38048841 Fe 28.47353646 30.19742728 30.18000246 -1.08768077 0.54089361 2.16843026