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=117.00552538199231 stress="-0.0017274925017978825 -0.00015358701760097006 -0.0007380774709743678 -0.00015358701760097006 -0.001670305205836635 -4.90261812264664e-05 -0.0007380774709743678 -4.90261812264664e-05 -0.0013657688293473886" pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -1.94384004 -1.47242996 -2.19742800 Fe 36.59933616 35.93572417 35.98055861 -15.34178317 -41.33546715 27.92226232 Fe 37.14715992 37.22516294 35.23402360 -2.50093801 14.21903838 -49.79780786 Fe 37.93229823 38.31172061 36.19084223 19.00626895 27.17671743 24.04040115 Fe 37.29465675 35.14771729 38.20399864 -4.85285674 -1.72148911 -0.99809627 Fe 38.85840215 36.26405997 38.83490027 -0.49039548 -0.98881172 7.24427217 Fe 34.76884260 38.20444678 38.02575960 0.18709229 -0.64321618 -0.86024467 Fe 36.55604684 39.07636534 38.99475015 -40.69779978 103.85760089 -60.62828475 Fe 40.23975440 35.55577733 35.25284888 -2.44436364 0.33252066 -2.02127456 Fe 41.57116719 36.00454661 36.78983070 -12.90961270 10.79538831 -10.96468803 Fe 42.51432400 36.93324962 34.69615509 -0.62419414 -0.36396302 1.24855362 Fe 43.42712388 38.91385061 36.22088890 8.04608912 -13.36872604 -12.18906670 Fe 42.81964364 35.29825864 37.90182602 15.09265878 -8.17769525 13.76158828 Fe 43.94092265 36.79747090 39.26025248 27.76570645 -11.60228290 -29.86575675 Fe 39.61890133 37.43827487 37.40447350 2.95141440 5.15940493 -7.66553185 Fe 41.32868209 38.48931485 38.46659910 1.29551024 -0.15341091 1.30992900 Fe 34.72941635 39.65017747 35.17843495 -4.92617773 -9.42352830 -3.92691401 Fe 35.67994952 41.20201413 35.91957267 -8.40837762 -4.95720628 15.21798831 Fe 36.83832478 42.32454839 35.07964709 14.44193114 13.65654672 -9.68453559 Fe 38.61643991 43.32327578 36.40123177 -70.29495499 41.46733376 -47.14516414 Fe 37.95366604 39.88968876 37.71888199 -26.32211152 -18.37622459 -17.61330929 Fe 39.18297782 40.79320854 38.39174556 30.46750213 22.47187872 14.52188351 Fe 35.30302897 42.83814538 37.63905551 -2.73333359 -7.09015096 -8.44003719 Fe 35.93114464 43.99801325 39.11824152 4.23461906 5.92364542 9.27565984 Fe 40.10049303 40.54851891 34.85209736 -0.59811669 0.77834249 1.32791913 Fe 41.60365422 41.12475624 36.46651109 -22.00103698 24.85388396 -19.02338398 Fe 42.06544791 43.43063630 35.46577408 -35.54894608 -9.12873050 -11.62720530 Fe 43.61612729 43.80145122 36.02098422 33.96105753 7.66851241 12.76751583 Fe 42.58087455 40.09122498 37.35935114 11.19533792 -11.27403477 30.41030062 Fe 43.53127631 41.09201764 38.97117919 1.48912425 -0.00406851 1.83323089 Fe 39.66448343 42.68403127 37.11226018 70.31180209 -43.58789772 45.87488779 Fe 40.97555741 43.07655432 38.89352680 -40.17985903 6.67949901 -22.90346924 Fe 35.04263434 35.15136053 39.28249517 -6.29082688 -2.09488797 -9.42821164 Fe 36.21994698 35.60264947 40.79204899 -0.15134412 6.86974406 -3.37846317 Fe 37.00297454 37.99791377 39.62151619 44.15035663 -107.87744939 61.80015348 Fe 38.55150311 38.51894432 41.34725891 -3.56204798 -4.50108733 3.81416114 Fe 37.33719750 35.17049102 42.29388522 8.49579464 -2.32098310 11.13990247 Fe 39.08450338 35.75571598 43.99881808 -2.18565483 -3.08399938 1.81651846 Fe 34.99655912 38.21033166 42.51668654 -19.23568875 -11.74982900 -18.15487271 Fe 36.22422232 38.91950201 43.54655608 -6.63033179 -12.27360139 32.95528871 Fe 39.13213130 35.41553907 40.84226646 0.07406032 0.09972556 2.67240277 Fe 41.48837336 36.00831489 41.43404765 -36.36485708 55.52154757 -30.05463304 Fe 42.84911873 37.25854751 40.40500065 -52.68927592 -29.37375677 6.17237957 Fe 43.60556472 38.49425818 41.03735392 25.42038267 43.03244682 22.15048324 Fe 42.20384740 34.85081933 42.03810700 36.13723665 -56.56062538 30.73253209 Fe 43.82898977 36.05759461 43.76534421 -1.17863382 -0.34838006 -1.58242750 Fe 40.09980901 37.00409575 42.77385137 0.82641107 3.33925066 -2.49557315 Fe 40.57395735 38.95693653 43.90115407 1.46435730 -1.70921463 -0.91855031 Fe 34.97456502 39.89949207 39.94651716 -3.45619355 1.90830977 3.31012895 Fe 36.16201767 41.98989951 40.74303982 -12.16671220 -1.29777040 6.55365643 Fe 37.82350393 42.21827495 39.80335328 -3.11769108 -19.69181919 -28.72883833 Fe 38.63834321 43.28337470 40.87827378 16.27127611 19.53990098 20.86008117 Fe 37.36102597 39.94186987 42.87644269 27.45660216 24.91582382 -17.31152562 Fe 39.55457252 40.79284007 43.85695185 -1.28397185 2.43694625 -1.22430963 Fe 35.06236183 42.74812411 42.77511221 -0.58129365 -1.28709475 -1.43472709 Fe 36.48115325 43.96771709 43.78828861 0.83986113 1.04429012 0.64585996 Fe 39.68857725 39.74812168 40.24335814 1.07219295 0.15450441 -3.18485742 Fe 40.89974943 41.22892384 41.12165250 33.57790190 -51.19157866 -60.73163991 Fe 42.34497277 42.80178516 39.71375535 38.90722008 -7.20915323 25.28758637 Fe 43.54610002 43.89496231 41.59964402 -1.51634410 -1.72162549 0.11563482 Fe 42.83394746 40.70480081 42.92669675 -93.87899500 -56.03424798 -74.08546540 Fe 43.77099171 41.28111300 43.66957874 91.47370013 57.05780460 72.55260661 Fe 40.39757659 42.11536967 42.13716159 -30.33158388 53.70024791 61.29754163 Fe 40.99934153 43.70821989 43.60820831 0.82667635 -0.66441764 -0.36701725