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=88.78954499128872 stress="-0.0009125214279970597 -2.451559746552321e-09 -0.0003962114980917183 -2.451559746552321e-09 -0.0009819672478101223 0.0001029158029455849 -0.0003962114980917183 0.0001029158029455849 -0.0009958755308616017" free_energy=88.78954499128872 pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -4.07814122 -2.65021931 -3.42382540 Fe 36.59933616 35.93572417 35.98055861 -6.49422571 -21.56454254 18.31899592 Fe 37.14715992 37.22516294 35.23402360 -1.59478303 8.76686990 -28.94336113 Fe 37.93229823 38.31172061 36.19084223 5.94507456 21.31582899 7.91709644 Fe 37.29465675 35.14771729 38.20399864 -10.24829649 -3.22714021 -3.93889135 Fe 38.85840215 35.76443239 39.02546443 9.36267512 7.64926978 -0.37767432 Fe 34.95577374 37.79563377 37.93187189 -0.65995209 -1.55227248 -1.60091945 Fe 36.55604684 39.07636534 38.99475015 -21.24393333 53.86387348 -30.72319956 Fe 40.78248547 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14.98314756 17.58509950 0.84545959 Fe 35.34278350 42.83814538 37.63905551 -2.47919670 -10.59291766 -17.66734023 Fe 35.60366252 43.66349090 39.11824152 3.79519435 9.36299323 18.61507448 Fe 40.26176311 40.27927672 34.77599447 -1.95377788 -0.94777375 -0.18479118 Fe 41.60365422 41.12475624 36.46651109 -12.12980776 14.60724847 -9.55616977 Fe 41.67119966 43.29253646 34.78221554 -2.30878616 -0.67321377 -0.56381516 Fe 43.57559210 43.55058575 36.17451505 0.91307483 -0.60343536 1.95593563 Fe 42.58087455 40.09122498 37.35935114 11.06315224 -13.88076374 11.70275304 Fe 43.97462727 41.11272182 38.87984742 1.15214118 0.14051472 1.57597227 Fe 39.66448343 42.68403127 37.11226018 36.80050742 -23.15833924 23.43821182 Fe 40.97555741 43.31914392 38.89352680 -18.22580101 6.54675131 -9.41020132 Fe 34.77045360 35.28866239 39.68786656 -0.95553430 -0.25813057 -2.49028665 Fe 36.11803101 36.09305905 41.30199494 -13.87179863 11.42854832 -7.95175643 Fe 37.00297454 37.99791377 39.62151619 21.94022030 -57.93282841 27.90247659 Fe 38.07353166 38.51894432 41.34725891 2.94904547 -1.59976940 2.15331991 Fe 37.43970136 35.30962604 42.02044147 9.96925352 -8.66611765 10.82306269 Fe 39.08450338 35.75571598 43.58475277 -8.66463267 -24.30991571 17.49485998 Fe 34.99655912 37.96978731 42.51668654 -7.99832737 -5.74848021 -7.56066298 Fe 36.22422232 38.91950201 43.54655608 -7.30352414 -8.21398679 15.85567317 Fe 39.08532250 35.00206044 40.83625574 6.10671893 -3.66171070 3.59501947 Fe 41.48837336 36.00831489 41.43404765 -22.44976503 31.43843451 -15.26076376 Fe 42.84911873 37.01595790 40.07449325 -21.31325478 1.48568631 10.75124083 Fe 43.60556472 38.49425818 41.03735392 3.06844125 8.76241548 5.34911566 Fe 42.20384740 34.85081933 42.03810700 19.34441528 -32.29869606 16.34099834 Fe 43.75567948 35.58042468 44.03850275 -0.19234802 0.50423104 -0.17300432 Fe 39.60939942 37.00409575 42.77385137 9.65766747 25.34850992 -16.86088091 Fe 40.88981588 38.99050463 43.64455433 0.72939693 -0.43224349 -1.04587997 Fe 35.03346674 39.71662307 40.34902654 -5.97947410 -2.85493715 0.38811832 Fe 36.12753280 41.21395641 41.27609686 3.30055083 3.46685842 1.21798947 Fe 37.82350393 42.21827495 39.80335328 -9.12608114 -12.78857427 -13.27885875 Fe 38.63834321 43.28337470 40.87827378 8.95252472 12.27695287 12.06774268 Fe 37.36102597 39.94186987 42.87644269 16.71916118 16.42421678 -7.10833351 Fe 39.67171808 41.11056424 43.96640764 -1.84445859 -0.56860973 2.27700765 Fe 34.85019353 42.97085593 42.41342367 -6.42680004 -1.37874059 -4.82010387 Fe 36.40009545 43.42893138 43.60183795 6.96765372 1.04680359 4.03890285 Fe 39.60146438 39.74812168 39.92451313 -2.76496297 -3.73256741 12.87350173 Fe 40.89974943 41.22892384 41.12165250 11.86677137 -28.17857972 -38.32438753 Fe 42.34497277 42.80178516 39.71375535 17.99237648 -7.03778798 11.24307555 Fe 43.84947997 43.91585207 41.75724536 -0.81400784 -0.86248205 0.17807062 Fe 42.43376557 40.85345170 42.38498733 3.69795624 -3.78337241 -0.11555583 Fe 43.66153064 41.54291660 43.96495890 2.31195204 1.88942015 3.39403865 Fe 40.39757659 42.11536967 42.13716159 -16.80809230 30.99599191 30.51373937 Fe 40.86157597 44.04079721 43.69789396 0.29577914 -0.23250166 -0.15080042