32 Lattice="3.7004854773547775 0.0 0.0 0.0 3.7004854773547775 0.0 0.0 0.0 3.7004854773547775" Properties=species:S:1:pos:R:3:forces:R:3 energy=2548.9099645414703 stress="-104.15066970889218 -0.1131229750349485 0.335150585583179 -0.1131229750349485 -104.17983268659401 -0.250691043220798 0.335150585583179 -0.250691043220798 -104.2615169006236" free_energy=2548.9099645414703 pbc="F F F" Fe 0.01245574 0.01251530 0.00506802 -175.73445219 -152.82778701 -172.92425474 Fe 0.96067934 0.89102974 0.03575853 -51.82214737 59.06258833 -323.54922225 Fe 0.89068291 0.01916490 0.92285957 17.24287379 -351.19563198 4.31572919 Fe 0.02755808 0.90748132 0.95897602 -343.40752925 26.03764050 -28.65761362 Fe 1.82088461 0.00434238 0.00793334 65.45009253 -252.15344944 -228.30633467 Fe 2.77535530 0.97340731 0.01638699 252.05321348 -57.68598123 -225.03967113 Fe 2.77213099 0.02771718 0.96838660 242.83505606 -244.36806615 -40.98616712 Fe 1.85902500 0.89634298 0.93011881 13.27867725 34.33230395 -8.56520662 Fe 0.02738138 1.87375339 0.03607123 -257.35408384 -60.88488548 -254.05593456 Fe 0.88032520 2.76511302 0.01603106 70.81870822 233.86506611 -266.08502260 Fe 0.89659967 1.86614193 0.94012384 68.87494519 -29.42431730 -49.76818636 Fe 0.03676833 2.78553505 0.90390147 -283.10840403 270.79021699 19.23195006 Fe 1.88254007 1.81393340 0.01200400 -40.78165458 75.18905283 -282.35642647 Fe 2.78119090 2.78621705 0.03621617 151.69349795 144.91319603 -153.18259101 Fe 2.76140405 1.85588471 0.97451881 277.38397713 35.36624535 -43.23200952 Fe 1.84350914 2.81031625 0.92475259 1.64529366 271.99213712 -14.99708157 Fe 0.03425972 0.00321173 1.86413724 -242.48074238 -230.66156879 47.88565674 Fe 0.94871586 0.93365721 1.83284729 -48.53929717 -2.12896614 38.17185424 Fe 0.96062956 0.03225555 2.76537919 -45.47760686 -238.48249763 250.69793242 Fe 0.01208658 0.97881943 2.79488386 -232.80225390 -50.60162170 209.17771024 Fe 1.83070530 0.02554045 1.83523453 52.14370040 -333.02273134 25.15485272 Fe 2.80657336 0.97661801 1.82936882 294.47454646 -48.63095368 53.24656916 Fe 2.79077638 0.03486767 2.81010459 150.06416565 -147.04309016 127.85296675 Fe 1.85842591 0.90100786 2.75413388 27.55738355 30.12599502 310.89009071 Fe 0.02417220 1.88958073 1.85305949 -351.41649465 -24.44890245 7.48170750 Fe 0.90673274 2.74677294 1.82442967 30.22508495 346.90668703 60.90031508 Fe 0.90289297 1.84863523 2.76958809 38.53406495 25.24892836 323.33846903 Fe 0.00207687 2.77736993 2.79813945 -148.94380753 164.15445486 155.51181088 Fe 1.82046217 1.84121519 1.87700703 57.36400675 55.53573054 2.95439425 Fe 2.80821483 2.79657823 1.81551405 197.10602121 208.23799786 47.28120927 Fe 2.79139232 1.83617723 2.79454004 201.36546332 34.19378831 211.80518724 Fe 1.85979375 2.79310169 2.78324068 11.75770125 207.60842131 195.80731675