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=88.78954499128898 stress="-312.9948498029928 -0.0008408849935790386 -135.9005438454598 -0.0008408849935790386 -336.81476599887424 35.30012041033734 -135.9005438454598 35.30012041033734 -341.58530708553087" pbc="F F F" Fe 0.22086729 -0.01689004 -0.22903346 -4.07814122 -2.65021931 -3.42382540 Fe 1.59933616 0.93572417 0.98055861 -6.49422571 -21.56454254 18.31899592 Fe 2.14715992 2.22516294 0.23402360 -1.59478303 8.76686990 -28.94336113 Fe 2.93229823 3.31172061 1.19084223 5.94507456 21.31582899 7.91709644 Fe 2.29465675 0.14771729 3.20399864 -10.24829649 -3.22714021 -3.93889135 Fe 3.85840215 0.76443239 4.02546443 9.36267512 7.64926978 -0.37767432 Fe -0.04422626 2.79563377 2.93187189 -0.65995209 -1.55227248 -1.60091945 Fe 1.55604684 4.07636534 3.99475015 -21.24393333 53.86387348 -30.72319956 Fe 5.78248547 0.50979054 0.01871475 -2.05826368 -1.36037340 -4.74853086 Fe 6.20935311 1.04524550 2.00114475 -6.22663062 5.69298088 2.22124663 Fe 7.56413860 2.40080582 -0.13579737 -6.94912315 -6.29802966 -5.32018066 Fe 8.67982227 3.56376137 0.86736005 6.77994466 5.99107199 5.93619035 Fe 7.81964364 0.29825864 2.75344230 4.84612520 -7.13663507 0.58210831 Fe 8.94092265 1.58905321 3.94859689 21.09397134 -3.08461568 -16.00511614 Fe 4.13852573 2.20608632 2.20242380 4.94742690 -3.29125864 4.53558181 Fe 5.75858622 3.88988228 3.51999491 4.49426515 -4.95384460 -4.56083849 Fe 0.10340100 5.31298788 0.02164361 -3.31939281 -2.69038158 -2.16765929 Fe 1.63900191 6.14262195 1.24085714 -9.64613714 -17.89747117 29.06278773 Fe 2.21949456 6.99713164 0.09651729 13.01741650 18.22275963 -27.09933921 Fe 3.61643991 8.32327578 1.40123177 -36.93828728 23.82671395 -23.94154182 Fe 2.95366604 4.88968876 2.71888199 -11.99640392 -8.53678530 -9.79069731 Fe 4.18297782 5.79320854 3.39174556 14.98314756 17.58509950 0.84545959 Fe 0.34278350 7.83814538 2.63905551 -2.47919670 -10.59291766 -17.66734023 Fe 0.60366252 8.66349090 4.11824152 3.79519435 9.36299323 18.61507448 Fe 5.26176311 5.27927672 -0.22400553 -1.95377788 -0.94777375 -0.18479118 Fe 6.60365422 6.12475624 1.46651109 -12.12980776 14.60724847 -9.55616977 Fe 6.67119966 8.29253646 -0.21778446 -2.30878616 -0.67321377 -0.56381516 Fe 8.57559210 8.55058575 1.17451505 0.91307483 -0.60343536 1.95593563 Fe 7.58087455 5.09122498 2.35935114 11.06315224 -13.88076374 11.70275304 Fe 8.97462727 6.11272182 3.87984742 1.15214118 0.14051472 1.57597227 Fe 4.66448343 7.68403127 2.11226018 36.80050742 -23.15833924 23.43821182 Fe 5.97555741 8.31914392 3.89352680 -18.22580101 6.54675131 -9.41020132 Fe -0.22954640 0.28866239 4.68786656 -0.95553430 -0.25813057 -2.49028665 Fe 1.11803101 1.09305905 6.30199494 -13.87179863 11.42854832 -7.95175643 Fe 2.00297454 2.99791377 4.62151619 21.94022030 -57.93282841 27.90247659 Fe 3.07353166 3.51894432 6.34725891 2.94904547 -1.59976940 2.15331991 Fe 2.43970136 0.30962604 7.02044147 9.96925352 -8.66611765 10.82306269 Fe 4.08450338 0.75571598 8.58475277 -8.66463267 -24.30991571 17.49485998 Fe -0.00344088 2.96978731 7.51668654 -7.99832737 -5.74848021 -7.56066298 Fe 1.22422232 3.91950201 8.54655608 -7.30352414 -8.21398679 15.85567317 Fe 4.08532250 0.00206044 5.83625574 6.10671893 -3.66171070 3.59501947 Fe 6.48837336 1.00831489 6.43404765 -22.44976503 31.43843451 -15.26076376 Fe 7.84911873 2.01595790 5.07449325 -21.31325478 1.48568631 10.75124083 Fe 8.60556472 3.49425818 6.03735392 3.06844125 8.76241548 5.34911566 Fe 7.20384740 -0.14918067 7.03810700 19.34441528 -32.29869606 16.34099834 Fe 8.75567948 0.58042468 9.03850275 -0.19234802 0.50423104 -0.17300432 Fe 4.60939942 2.00409575 7.77385137 9.65766747 25.34850992 -16.86088091 Fe 5.88981588 3.99050463 8.64455433 0.72939693 -0.43224349 -1.04587997 Fe 0.03346674 4.71662307 5.34902654 -5.97947410 -2.85493715 0.38811832 Fe 1.12753280 6.21395641 6.27609686 3.30055083 3.46685842 1.21798947 Fe 2.82350393 7.21827495 4.80335328 -9.12608114 -12.78857427 -13.27885875 Fe 3.63834321 8.28337470 5.87827378 8.95252472 12.27695287 12.06774268 Fe 2.36102597 4.94186987 7.87644269 16.71916118 16.42421678 -7.10833351 Fe 4.67171808 6.11056424 8.96640764 -1.84445859 -0.56860973 2.27700765 Fe -0.14980647 7.97085593 7.41342367 -6.42680004 -1.37874059 -4.82010387 Fe 1.40009545 8.42893138 8.60183795 6.96765372 1.04680359 4.03890285 Fe 4.60146438 4.74812168 4.92451313 -2.76496297 -3.73256741 12.87350173 Fe 5.89974943 6.22892384 6.12165250 11.86677137 -28.17857972 -38.32438753 Fe 7.34497277 7.80178516 4.71375535 17.99237648 -7.03778798 11.24307555 Fe 8.84947997 8.91585207 6.75724536 -0.81400784 -0.86248205 0.17807062 Fe 7.43376557 5.85345170 7.38498733 3.69795624 -3.78337241 -0.11555583 Fe 8.66153064 6.54291660 8.96495890 2.31195204 1.88942015 3.39403865 Fe 5.39757659 7.11536967 7.13716159 -16.80809230 30.99599191 30.51373937 Fe 5.86157597 9.04079721 8.69789396 0.29577914 -0.23250166 -0.15080042