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=133.32175911185797 stress="-0.001630744039803638 -0.00026307481650713986 -0.0007022823933934343 -0.00026307481650713986 -0.0018575207335856975 0.00015773761620958834 -0.0007022823933934343 0.00015773761620958834 -0.0019925824761511655" pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -8.18303787 -5.56416016 -7.23945484 Fe 36.59933616 35.93572417 35.98055861 3.97303937 -46.40338382 37.78345046 Fe 36.69924512 37.22516294 35.23402360 1.61764337 50.79313843 -30.47197058 Fe 37.91061888 39.00824945 35.57106187 1.94601385 2.29907158 -0.49180411 Fe 37.29465675 34.93158033 38.05379347 -19.86675727 -10.52639091 -9.88470169 Fe 38.85840215 35.76443239 38.89217898 -6.49800290 64.91488481 -144.55421442 Fe 35.14633790 38.18034815 37.73408865 -5.54065599 -4.08385345 -7.11024673 Fe 36.55604684 39.07636534 38.99475015 -46.53785508 94.12645449 -36.47655000 Fe 40.57145570 35.62693260 34.97272797 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5.99522768 Fe 35.65618452 43.19167423 37.63905551 -2.21947715 -15.13308434 -29.35410823 Fe 35.82590155 43.92533189 39.11824152 3.53969848 13.96587568 29.04932506 Fe 40.37023999 40.06462543 35.10510663 -3.68111113 -3.40447867 -3.46611951 Fe 41.60365422 41.12475624 36.46651109 -13.67421812 21.29986101 -9.32920291 Fe 42.17369572 42.66520909 34.97907069 -0.40056976 0.41229822 -0.85876930 Fe 43.94881891 43.15243413 36.44017667 -0.33229060 -0.50241452 0.41809743 Fe 42.58087455 40.09122498 37.35935114 6.96875933 -31.22016288 7.20394298 Fe 43.51188573 41.41256706 38.22404061 9.08366718 13.26715643 8.29550730 Fe 39.66448343 42.68403127 37.11226018 59.98425401 -36.97628736 39.58504112 Fe 40.97555741 42.92202171 38.89352680 -34.29093238 -0.21937966 -19.69812236 Fe 35.05615299 35.13218566 39.53882749 -1.29235489 -1.64228104 -3.16747883 Fe 35.99686516 36.09305905 41.22784007 -25.35020056 21.77657058 -18.37927425 Fe 37.00297454 37.99791377 39.62151619 40.24936721 -98.04729121 56.26178938 Fe 38.54843681 38.51894432 41.34725891 -13.75398825 -15.99054734 12.45825687 Fe 37.09881521 35.30441286 42.08099836 27.71202484 -19.39268768 20.85339230 Fe 39.08450338 35.75571598 43.83009956 -10.45406786 -13.05602920 9.65637290 Fe 34.99655912 38.11882638 42.51668654 -11.83464550 -13.21546651 -11.47172813 Fe 36.15266273 39.37883502 43.54655608 -37.20281058 -9.22714419 38.16991298 Fe 39.05376832 35.36365077 40.05381459 25.97100626 -53.10485872 155.81927040 Fe 41.48837336 36.00831489 41.43404765 -29.16303865 48.29050833 -26.06696947 Fe 42.84911873 37.59828304 39.74175561 -22.74084369 3.82575748 -4.98145726 Fe 43.60556472 38.49425818 41.03735392 9.86269065 10.76843183 16.25345502 Fe 42.20384740 34.85081933 42.03810700 28.97374839 -48.14429513 24.53008293 Fe 43.20121728 35.83744076 43.76555677 0.03393943 0.49711725 0.29825723 Fe 40.08629036 37.00409575 42.88189631 3.17183000 -8.18177897 -15.13195177 Fe 40.68409650 38.76109079 43.31421897 6.14225056 21.55339006 4.63456853 Fe 34.78225329 40.04920581 39.77488701 -12.75680992 -11.87248362 -13.83001024 Fe 35.60743178 41.16439154 41.06253499 10.41096621 12.65186095 15.51061834 Fe 37.82350393 42.21827495 39.80335328 -12.23943862 -16.27793718 -16.39772121 Fe 38.63834321 43.28337470 40.87827378 12.57867002 15.51386141 15.73642931 Fe 37.36102597 39.94186987 42.87644269 49.21573698 23.29693995 -27.67799038 Fe 39.16704070 41.20764080 44.02559676 0.10472835 -0.40428570 -0.20650994 Fe 35.04351831 43.23553491 42.63970276 0.46546738 -0.07123603 -0.07691705 Fe 36.97419286 43.97675809 43.59647343 -0.13358187 -0.30541119 -0.46701761 Fe 39.67212473 39.74812168 40.36805486 5.77083536 7.07395122 -16.44243850 Fe 40.89974943 41.22892384 41.12165250 33.47365199 -37.43245464 -49.36032581 Fe 42.34497277 42.89249483 39.71375535 34.78588653 -0.40853047 22.24016475 Fe 43.72557247 43.55011602 41.91154804 -1.23760695 -0.63758075 0.03315293 Fe 42.61642137 39.97690407 42.58223207 -0.49132370 0.95675829 -0.10587089 Fe 43.93333148 41.38215830 43.97076095 0.01997792 0.60592563 -0.23455546 Fe 40.39757659 42.11536967 42.13716159 -25.05230409 46.97394878 53.76966473 Fe 41.59856987 44.06168698 43.85549530 0.00921314 -1.23542365 -1.37029184