32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=46.98079765962386 stress="-0.0079885228613156 0.00043157836201184 -0.0011189241365652856 0.00043157836201184 -0.007481532415802537 -0.0005597903010155582 -0.0011189241365652856 -0.0005597903010155582 -0.0080478029279776" pbc="F F F" Fe 20.88909689 21.11115480 21.11044915 -13.21983080 -11.91660159 -24.16774842 Fe 22.70960170 22.31143450 20.86432452 -11.69224356 16.86609463 -5.49075919 Fe 22.01159245 20.83509776 22.60416852 26.24982187 -21.78076663 -5.23728869 Fe 21.07687608 22.51878885 22.32834452 -12.93178802 19.69029064 8.49246785 Fe 23.87679405 20.95894820 20.97550362 3.10645818 -26.81327239 1.35398342 Fe 25.44594316 22.07002603 20.92385746 13.24438456 13.42607544 -11.83784330 Fe 25.28802619 21.22277084 22.68584377 7.97309159 -53.78964812 -48.12507206 Fe 24.18362810 22.69581920 22.64685009 -31.19450111 -19.29744767 -8.99904311 Fe 21.26959405 24.17626233 20.85402479 -19.26859280 -14.70375049 -29.18162280 Fe 22.70996341 25.49207130 21.15300231 -10.88990368 33.88390643 -34.17040082 Fe 22.53848316 23.95774659 22.16497794 -6.53038754 -26.57405691 28.70467568 Fe 20.95789336 25.38825682 22.27041603 -10.48747138 19.13295342 7.30267606 Fe 24.19178619 24.17895518 21.29140871 -12.61325249 -28.05636986 -71.31415328 Fe 25.61455359 25.53253581 21.14904689 10.69397257 16.20565867 -8.80459070 Fe 25.28091226 24.10609294 22.46603997 64.56399748 -13.89973877 17.52963838 Fe 23.80598025 25.32157598 22.51361598 10.77391018 48.98475091 28.50637960 Fe 20.85198705 20.97567541 24.06329927 -26.17499424 -6.06373015 1.15652235 Fe 22.41938873 22.27846858 23.91453293 11.77842473 15.71549389 1.97286192 Fe 22.34126820 20.84140700 25.31668137 20.07186282 -18.73632183 10.59883251 Fe 21.12056598 22.24396547 25.59073906 -12.27269305 18.05466447 10.26922260 Fe 24.27219963 20.93381326 24.13132919 -33.52764306 -13.25422107 4.75550961 Fe 25.75978669 22.22592512 23.78504734 32.99156481 43.75335407 42.35332728 Fe 25.38708675 21.10373889 25.58343331 12.28019416 -0.01348410 18.25641542 Fe 23.79378950 22.72996693 25.70547830 -2.21801138 -4.84392358 1.64041919 Fe 21.23171545 24.18190327 23.82183498 -12.99002744 -13.88852130 2.59275141 Fe 22.71219253 25.42485375 24.12990665 -13.12427056 29.79313227 -17.52917618 Fe 22.28220450 24.28278197 25.56210000 23.03600378 -59.63749702 13.21846891 Fe 21.13362859 25.32702941 25.67204550 -44.82542986 40.68293473 7.52628696 Fe 24.04852473 24.05473499 23.91561068 -16.70979897 -14.19803079 13.00698966 Fe 25.63661615 25.40480033 23.75512869 9.07666754 19.98521841 8.15750641 Fe 25.29869006 24.11041876 25.26735611 29.02338104 -11.78867755 14.69827410 Fe 23.83533445 25.24148635 25.58611608 15.80710464 23.08153186 22.76448923