32 Lattice="48.92319649022222 0.0 0.0 0.0 48.92319649022222 0.0 0.0 0.0 48.92319649022222" Properties=species:S:1:pos:R:3:forces:R:3 energy=-77.7613163824569 stress="0.0001692655781646084 -0.0001785328725524805 -6.208020361159375e-05 -0.0001785328725524805 0.00013797725596065858 2.1218151569889265e-05 -6.208020361159375e-05 2.1218151569889265e-05 4.137527259145343e-05" pbc="F F F" Fe 24.48768296 24.47100851 24.47208809 -0.06848398 1.59642215 0.78293997 Fe 26.34978308 26.04597276 24.56464614 -4.38294212 2.26275850 -1.94227938 Fe 26.17209475 24.42241085 26.08120422 0.39437309 1.42382651 1.97661857 C 24.35238240 26.24833135 26.26961800 2.41072650 -4.63568631 -0.19364515 Fe 28.15948697 24.35168733 24.56941220 -0.87484106 -1.37101305 0.07983798 C 29.50185334 26.28485231 24.29193889 1.59783372 0.88090180 -2.76958570 C 29.88217132 24.69421185 25.86452828 0.72991616 -2.27642023 -0.60674865 C 28.11021679 26.02009832 26.11155343 -3.06696679 -0.09452316 4.38998403 C 24.26320167 27.92687036 24.26376804 2.32428767 -3.36143911 -0.61474365 C 26.31104776 29.74112331 24.57305503 -0.67584171 1.59799283 -1.69746365 C 26.31379935 27.82278485 26.12469852 -1.49858565 -1.70896932 1.12145198 C 24.39337029 29.45438608 26.51987453 -1.26913813 1.50926536 0.25608631 C 27.75023483 27.75667659 24.64252473 -1.04351186 1.17711352 -0.14874020 Fe 29.82404285 29.67712755 24.42229510 -0.47992720 -0.80767011 2.35912119 C 29.52297901 27.70672027 25.98860274 -0.23632826 5.48083166 2.02430387 Fe 27.82801573 29.62848039 26.41168257 1.68214656 -1.13979610 -0.56628589 Fe 24.22123435 24.39274892 28.08189498 1.20559530 1.78995011 -0.83688697 Fe 26.33222122 26.01232571 28.07717007 -2.54960210 2.30032601 -5.02480704 C 26.24057226 24.52657947 29.92503191 -1.20292959 -2.70107332 1.48796332 Fe 24.58409407 26.25850358 29.83830769 -0.11346967 1.54983772 -1.51183763 C 27.95202257 24.48742602 28.11482728 -0.57981126 -1.44516995 -1.49707476 C 29.87512157 26.20307643 27.71630621 0.30284830 0.06719031 2.53512990 Fe 29.84819962 24.38169040 29.66788727 -0.86581534 1.62376495 -1.05453525 Fe 27.84988063 26.23652983 29.65384600 3.38199128 2.30663549 2.51048048 C 24.62860379 28.00316902 27.98529667 1.27649091 -2.71745151 3.85923807 C 26.35036191 29.67359942 27.97431469 2.65474267 1.83914959 -0.29940248 Fe 26.33401812 28.01840928 29.82519345 -0.16326183 0.69161547 -1.00404230 Fe 24.84434112 29.73237217 29.73095521 -1.02568274 -0.41827443 0.00237799 Fe 27.80032486 27.82671250 27.92336262 5.59400480 -2.83383724 -1.35086819 Fe 29.70277171 29.90300907 27.54349038 -0.12993261 -0.93219939 -0.90494748 C 29.62818554 28.07618609 29.68284868 -9.73722702 6.83384823 0.53617549 Fe 28.35983800 29.53328604 29.83891437 6.40934196 -8.48790699 -1.89781479