4000 Lattice="33.08017512380022 0.0 0.0 0.0 33.08017512380022 0.0 0.0 0.0 33.08017512380022" Properties=species:S:1:pos:R:3:forces:R:3 energy=-15101.63701354237 stress="-898.432076866521 8.312094802680122 10.260352102089314 8.312094802680122 -884.1665911524628 26.099656027465926 10.260352102089314 26.099656027465926 -901.1996036970309" pbc="F F F" Fe 0.01608579 -0.00387003 -0.01194061 0.24343472 0.42486668 0.23781185 Fe 1.68150118 1.65046041 0.01931841 -0.94307746 0.36635625 -0.61107769 Fe 1.62353191 -0.00512136 1.66317841 0.66322629 -0.12789911 0.54414237 Fe 0.01538474 1.66258165 1.65751622 -0.42953352 -0.24814099 0.38691377 Fe 3.28490450 0.02492012 -0.02240971 0.26800685 -0.46715779 0.08732509 Fe 4.94251513 1.68456443 -0.01337296 0.57699357 -0.28926044 -0.08989913 Fe 4.93719684 -0.00566634 1.64324387 0.48540909 0.08014909 -0.22094826 Fe 3.29284716 1.66780958 1.63453959 0.41064996 0.01452300 1.13291208 Fe 6.62526844 0.00296582 -0.01347960 -0.46301862 0.14884862 0.16064777 Fe 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