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=-68.78147755289929 stress="-5.486736102093943e-05 -2.51374923169997e-05 -0.0001467465913996751 -2.51374923169997e-05 -3.6206926426360456e-05 -1.3461310078754962e-05 -0.0001467465913996751 -1.3461310078754962e-05 -5.420920259159823e-05" free_energy=-68.78147755289929 pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -0.27870841 -0.00825403 -0.36315541 Fe 36.59933616 35.93572417 35.98055861 -0.64619732 -5.27349004 2.86005515 Fe 36.69924512 37.22516294 35.23402360 -1.51030902 6.96843259 -4.90307045 Fe 37.91061888 38.78131475 35.96390753 -0.24550121 1.74119509 -0.09106199 Fe 37.29465675 35.15851503 37.44481085 -0.58982717 -1.20733539 1.96931487 Fe 38.85840215 35.76443239 38.74197382 -0.28986786 3.42346265 -3.31760488 Fe 34.64671032 38.23762686 38.30936719 -0.59495372 -2.03656071 -1.06628664 Fe 36.55604684 39.07636534 38.99475015 0.23452932 9.90676613 -8.10934651 Fe 40.75838683 35.21811959 34.87884026 0.64034457 0.85879708 -0.21640170 Fe 41.93310106 36.23678549 36.72102384 -0.62216475 2.55120816 0.62214962 Fe 42.56413860 37.42957765 34.86420263 -3.23832606 -3.23968315 -3.17833072 Fe 43.47025326 38.56376137 35.86736005 1.08923290 3.08127433 2.58361201 Fe 42.81964364 35.29825864 38.24768796 -9.72119680 -6.91580157 -3.16192942 Fe 43.94092265 35.91364046 38.80687150 11.38366903 4.12777474 3.86957192 Fe 39.63485376 38.17296247 37.41462813 -0.35475722 -0.58088918 -0.21618851 Fe 40.92663375 38.22038774 39.05752015 -0.07922427 -0.41574432 1.36474505 Fe 34.70349715 39.46313099 34.86452263 1.06476633 -1.44406538 0.23351507 Fe 36.14575737 40.71273343 36.24085714 0.03856280 -0.23959362 1.89312490 Fe 37.67270264 41.98297994 35.04455819 0.82264708 -1.22451355 -0.05732028 Fe 38.61643991 43.32327578 36.40123177 -8.28533866 5.37814820 -4.26627183 Fe 37.95366604 39.88968876 38.07241084 -4.46298429 -2.10788329 -2.17338308 Fe 39.18297782 40.79320854 38.39174556 7.34745178 4.51825271 0.67137086 Fe 35.22224011 42.83814538 37.63905551 -0.30671042 -2.65380357 -2.90915334 Fe 35.90975672 43.66349090 39.11824152 1.57729021 1.24292173 4.99006261 Fe 40.87943697 40.56501311 35.10510663 -2.59572723 -2.39793397 -3.42469296 Fe 41.60365422 41.12475624 36.50319931 -0.46544191 5.54965555 4.19333109 Fe 42.13700750 42.66520909 34.97907069 -1.02544887 0.09939903 -0.24796991 Fe 43.94881891 43.46171569 36.05795894 0.04895859 -0.36793363 0.56970427 Fe 42.58087455 40.09122498 37.35935114 1.23139548 -4.79776082 1.87170645 Fe 43.51188573 41.09133389 38.86655824 -0.31268517 0.52262032 1.19878079 Fe 39.66448343 42.68403127 37.11226018 8.45243477 -6.26642142 3.43347175 Fe 40.97555741 42.99785946 38.89352680 -6.39385469 -0.71273125 -2.42346982 Fe 34.65903078 35.13218566 39.53882749 0.67653632 0.83472841 -0.88813565 Fe 35.99686516 36.09305905 41.22784007 -1.15271011 3.41770955 -1.36199061 Fe 37.00297454 37.99791377 39.62151619 5.87316282 -14.19872518 6.58672691 Fe 38.55150311 38.51894432 41.34725891 -1.40848962 -3.21181099 3.08530646 Fe 37.07742728 34.96682421 42.38808568 3.18302638 -1.06859622 1.22456970 Fe 39.08450338 35.75571598 43.91927511 -1.09811885 -0.99310514 0.21781155 Fe 34.71085973 38.21513410 42.51668654 0.14976801 -0.58106571 -2.10190228 Fe 36.37326138 38.91950201 43.54655608 -2.74019324 -4.73648473 3.45417987 Fe 39.46018017 35.46070971 40.41040162 0.60366040 0.57111854 6.15711042 Fe 41.48837336 36.00831489 41.43404765 -2.65766835 8.40775692 -4.80600970 Fe 42.84911873 37.25854751 39.61004044 -1.80583788 0.33646651 -0.05839314 Fe 43.60556472 38.49425818 41.03735392 -0.56846514 1.58921207 1.50284488 Fe 42.20384740 34.85081933 42.03810700 3.26005130 -6.86755826 3.37108344 Fe 43.29104752 36.17649253 43.66189009 -0.99685377 0.56668166 -1.03229793 Fe 40.09980901 37.00409575 42.77385137 0.85326414 -0.75384124 -2.55901969 Fe 40.49401156 38.73073442 43.80531230 -0.26590209 1.52245894 -0.36231620 Fe 35.25872035 39.78943560 39.69237162 -4.77826714 3.71504699 3.61256837 Fe 35.88698845 41.60004623 40.96997942 2.57596278 -1.72773044 -1.43149831 Fe 37.56717160 42.21827495 39.80335328 -0.70177718 -3.55936434 -3.82399454 Fe 38.63834321 43.28337470 40.87827378 1.92589900 0.54266833 1.31020054 Fe 37.36102597 39.94186987 42.87644269 2.94276584 4.70451032 -4.45710531 Fe 39.23985324 40.82393186 43.29464283 0.30660477 -1.02356994 -0.09554270 Fe 34.88912614 42.64359585 42.04315734 -2.05020512 2.42361424 1.13682911 Fe 36.19372429 43.99600337 43.37563583 0.47168157 -0.19487569 -0.37581228 Fe 39.43212634 39.74812168 40.36805486 -0.47038531 2.49933312 -1.27345940 Fe 40.89974943 41.22892384 41.12165250 4.37009494 -5.86367886 -8.54185407 Fe 42.34497277 42.80178516 39.71375535 5.95652463 -0.54042327 5.70760721 Fe 43.96837464 43.51697903 42.09950830 -2.31973779 -2.61222746 0.79052091 Fe 42.95176070 40.73743456 42.77182853 -10.21094735 -2.63042504 -9.77726748 Fe 43.91398467 41.12780020 43.72318414 8.27236642 4.92050897 7.78792994 Fe 40.39757659 42.11536967 42.13716159 -1.62050059 7.80687832 6.16827865 Fe 41.51005271 43.61888066 43.92529465 1.51263237 -1.37471981 -1.36584763