64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=133.32175911163839 stress="-559.3452056524667 -90.23466206182297 -240.88286093390377 -90.23466206182297 -637.1296116195756 54.10400235995394 -240.88286093390377 54.10400235995394 -683.4557893198441" pbc="F F F" Fe 0.22086729 -0.01689004 -0.22903346 -8.18303787 -5.56416016 -7.23945484 Fe 1.59933616 0.93572417 0.98055861 3.97303937 -46.40338382 37.78345046 Fe 1.69924512 2.22516294 0.23402360 1.61764337 50.79313843 -30.47197058 Fe 2.91061888 4.00824945 0.57106187 1.94601385 2.29907158 -0.49180411 Fe 2.29465675 -0.06841967 3.05379347 -19.86675727 -10.52639091 -9.88470169 Fe 3.85840215 0.76443239 3.89217898 -6.49800290 64.91488481 -144.55421442 Fe 0.14633790 3.18034815 2.73408865 -5.54065599 -4.08385345 -7.11024673 Fe 1.55604684 4.07636534 3.99475015 -46.53785508 94.12645449 -36.47655000 Fe 5.57145570 0.62693260 -0.02727203 -16.20045236 -17.16001708 -22.61814090 Fe 6.39037000 1.49879227 1.11441795 2.00602479 6.07023809 39.10833352 Fe 7.56413860 2.42957765 -0.13579737 1.90016117 -1.10311616 -27.13177016 Fe 8.67982227 3.56376137 0.86736005 12.32485994 12.34984943 11.26801846 Fe 7.62810365 0.29825864 3.48182209 -25.59003420 -18.30743622 -5.25467694 Fe 8.94092265 1.27545454 3.76617260 37.98747017 3.32144305 -5.93045379 Fe 4.63485376 2.96164842 2.44339995 -15.64419809 -5.11350067 -16.43419934 Fe 5.92663375 3.40281203 3.77269330 15.37047269 5.50527668 15.61622398 Fe -0.24668824 4.46313099 0.10549878 -10.61579120 -8.33552792 -8.88961981 Fe 1.14575737 5.41004572 1.24085714 9.20360521 5.21678316 12.38704742 Fe 1.99447084 7.06763080 0.13172459 1.18457153 2.44672702 -1.50450307 Fe 3.61643991 8.32327578 1.40123177 -60.70389257 36.84956653 -40.43727386 Fe 2.95366604 4.63699037 2.71888199 4.66933037 -4.07421477 -20.43119282 Fe 4.18297782 5.79320854 3.39174556 12.97072915 10.15148541 5.99522768 Fe 0.65618452 8.19167423 2.63905551 -2.21947715 -15.13308434 -29.35410823 Fe 0.82590155 8.92533189 4.11824152 3.53969848 13.96587568 29.04932506 Fe 5.37023999 5.06462543 0.10510663 -3.68111113 -3.40447867 -3.46611951 Fe 6.60365422 6.12475624 1.46651109 -13.67421812 21.29986101 -9.32920291 Fe 7.17369572 7.66520909 -0.02092931 -0.40056976 0.41229822 -0.85876930 Fe 8.94881891 8.15243413 1.44017667 -0.33229060 -0.50241452 0.41809743 Fe 7.58087455 5.09122498 2.35935114 6.96875933 -31.22016288 7.20394298 Fe 8.51188573 6.41256706 3.22404061 9.08366718 13.26715643 8.29550730 Fe 4.66448343 7.68403127 2.11226018 59.98425401 -36.97628736 39.58504112 Fe 5.97555741 7.92202171 3.89352680 -34.29093238 -0.21937966 -19.69812236 Fe 0.05615299 0.13218566 4.53882749 -1.29235489 -1.64228104 -3.16747883 Fe 0.99686516 1.09305905 6.22784007 -25.35020056 21.77657058 -18.37927425 Fe 2.00297454 2.99791377 4.62151619 40.24936721 -98.04729121 56.26178938 Fe 3.54843681 3.51894432 6.34725891 -13.75398825 -15.99054734 12.45825687 Fe 2.09881521 0.30441286 7.08099836 27.71202484 -19.39268768 20.85339230 Fe 4.08450338 0.75571598 8.83009956 -10.45406786 -13.05602920 9.65637290 Fe -0.00344088 3.11882638 7.51668654 -11.83464550 -13.21546651 -11.47172813 Fe 1.15266273 4.37883502 8.54655608 -37.20281058 -9.22714419 38.16991298 Fe 4.05376832 0.36365077 5.05381459 25.97100626 -53.10485872 155.81927040 Fe 6.48837336 1.00831489 6.43404765 -29.16303865 48.29050833 -26.06696947 Fe 7.84911873 2.59828304 4.74175561 -22.74084369 3.82575748 -4.98145726 Fe 8.60556472 3.49425818 6.03735392 9.86269065 10.76843183 16.25345502 Fe 7.20384740 -0.14918067 7.03810700 28.97374839 -48.14429513 24.53008293 Fe 8.20121728 0.83744076 8.76555677 0.03393943 0.49711725 0.29825723 Fe 5.08629036 2.00409575 7.88189631 3.17183000 -8.18177897 -15.13195177 Fe 5.68409650 3.76109079 8.31421897 6.14225056 21.55339006 4.63456853 Fe -0.21774671 5.04920581 4.77488701 -12.75680992 -11.87248362 -13.83001024 Fe 0.60743178 6.16439154 6.06253499 10.41096621 12.65186095 15.51061834 Fe 2.82350393 7.21827495 4.80335328 -12.23943862 -16.27793718 -16.39772121 Fe 3.63834321 8.28337470 5.87827378 12.57867002 15.51386141 15.73642931 Fe 2.36102597 4.94186987 7.87644269 49.21573698 23.29693995 -27.67799038 Fe 4.16704070 6.20764080 9.02559676 0.10472835 -0.40428570 -0.20650994 Fe 0.04351831 8.23553491 7.63970276 0.46546738 -0.07123603 -0.07691705 Fe 1.97419286 8.97675809 8.59647343 -0.13358187 -0.30541119 -0.46701761 Fe 4.67212473 4.74812168 5.36805486 5.77083536 7.07395122 -16.44243850 Fe 5.89974943 6.22892384 6.12165250 33.47365199 -37.43245464 -49.36032581 Fe 7.34497277 7.89249483 4.71375535 34.78588653 -0.40853047 22.24016475 Fe 8.72557247 8.55011602 6.91154804 -1.23760695 -0.63758075 0.03315293 Fe 7.61642137 4.97690407 7.58223207 -0.49132370 0.95675829 -0.10587089 Fe 8.93333148 6.38215830 8.97076095 0.01997792 0.60592563 -0.23455546 Fe 5.39757659 7.11536967 7.13716159 -25.05230409 46.97394878 53.76966473 Fe 6.59856987 9.06168698 8.85549530 0.00921314 -1.23542365 -1.37029184