64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=89.39505726785707 stress="-0.0009131719592427984 -2.0185335370513052e-08 -0.0003962425461456766 -2.0185335370513052e-08 -0.0009827478355851794 0.0001029164498189399 -0.0003962425461456766 0.0001029164498189399 -0.0009965659158643883" free_energy=89.39505726785707 pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -4.07918548 -2.65185476 -3.42503611 Fe 36.59933616 35.93572417 35.98055861 -6.49548272 -21.56612298 18.31749614 Fe 37.14715992 37.22516294 35.23402360 -1.59606313 8.76576056 -28.94569308 Fe 37.93229823 38.31172061 36.19084223 5.94514694 21.31518296 7.91600333 Fe 37.29465675 35.14771729 38.20399864 -10.24937448 -3.22979387 -3.93989669 Fe 38.85840215 35.76443239 39.02546443 9.36270854 7.64802328 -0.37791004 Fe 34.95577374 37.79563377 37.93187189 -0.66196840 -1.55277998 -1.60194679 Fe 36.55604684 39.07636534 38.99475015 -21.24457815 53.86361081 -30.72334051 Fe 40.78248547 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27.90230293 Fe 38.07353166 38.51894432 41.34725891 2.94881441 -1.60002523 2.15363266 Fe 37.43970136 35.30962604 42.02044147 9.96833798 -8.66868692 10.82441277 Fe 39.08450338 35.75571598 43.58475277 -8.66517229 -24.31230746 17.49715981 Fe 34.99655912 37.96978731 42.51668654 -8.00070800 -5.74954135 -7.55918707 Fe 36.22422232 38.91950201 43.54655608 -7.30458421 -8.21416638 15.85784406 Fe 39.08532250 35.00206044 40.83625574 6.10662423 -3.66412032 3.59549810 Fe 41.48837336 36.00831489 41.43404765 -22.44916258 31.43715922 -15.26036474 Fe 42.84911873 37.01595790 40.07449325 -21.31217545 1.48479578 10.75191367 Fe 43.60556472 38.49425818 41.03735392 3.07072132 8.76188776 5.35000116 Fe 42.20384740 34.85081933 42.03810700 19.34593994 -32.30069755 16.34250444 Fe 43.75567948 35.58042468 44.03850275 -0.19060463 0.50237470 -0.17072619 Fe 39.60939942 37.00409575 42.77385137 9.65795657 25.34764511 -16.85932261 Fe 40.88981588 38.99050463 43.64455433 0.73057318 -0.43279095 -1.04346298 Fe 35.03346674 39.71662307 40.34902654 -5.98100504 -2.85460051 0.38839470 Fe 36.12753280 41.21395641 41.27609686 3.29937460 3.46768006 1.21887844 Fe 37.82350393 42.21827495 39.80335328 -9.12719772 -12.78699953 -13.27824392 Fe 38.63834321 43.28337470 40.87827378 8.95202936 12.27928290 12.06895763 Fe 37.36102597 39.94186987 42.87644269 16.71822145 16.42463672 -7.10715698 Fe 39.67171808 41.11056424 43.96640764 -1.84399804 -0.56744824 2.27941805 Fe 34.85019353 42.97085593 42.41342367 -6.42847522 -1.37701449 -4.81901941 Fe 36.40009545 43.42893138 43.60183795 6.96681610 1.04856712 4.04043696 Fe 39.60146438 39.74812168 39.92451313 -2.76496297 -3.73256741 12.87350173 Fe 40.89974943 41.22892384 41.12165250 11.86757510 -28.17764323 -38.32333289 Fe 42.34497277 42.80178516 39.71375535 17.99361353 -7.03564340 11.24304187 Fe 43.84947997 43.91585207 41.75724536 -0.81235309 -0.86090285 0.17887753 Fe 42.43376557 40.85345170 42.38498733 3.69915849 -3.78302554 -0.11437193 Fe 43.66153064 41.54291660 43.96495890 2.31395868 1.89082523 3.39617870 Fe 40.39757659 42.11536967 42.13716159 -16.80779812 30.99724492 30.51487311 Fe 40.86157597 44.04079721 43.69789396 0.29626333 -0.23013125 -0.14965519