16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-42.117075302222 stress="10.215918823803083 3.3216730154459952 3.83399157013367 3.3216730154459952 13.595351524477326 -0.5317216476973323 3.83399157013367 -0.5317216476973323 11.050860403117397" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 0.88991304 0.68546338 0.60664902 Fe 1.70960170 1.31143450 1.33833517 -1.00821919 2.09084621 0.96876098 Fe 2.78829595 -0.16490224 0.14041416 0.26455203 -0.52990662 -0.32699196 Fe 4.27812781 1.51878885 1.32834452 -0.40627733 0.59710671 0.74692570 Fe -0.12320595 2.95894820 0.20259391 0.70721097 -0.83663152 0.76848633 Fe 1.56504129 4.20865944 1.36550211 -1.83568538 1.94427980 2.20415910 Fe 2.78802619 3.22277084 0.18584377 2.09379148 -1.73456262 -1.59207742 Fe 4.68362810 4.69581920 1.64685009 -1.53878999 -1.42004250 0.62388168 Fe 0.26959405 0.17626233 2.70601184 0.16396649 0.54335799 0.29252175 Fe 1.70996341 1.49207130 4.65300231 0.32759916 0.60885895 -1.15556611 Fe 3.03848316 -0.04225341 2.91852158 -0.47001716 0.71037385 -0.25524051 Fe 4.45789336 1.38825682 4.27041603 -0.76737594 0.96170998 -0.63710865 Fe 0.19178619 3.17895518 3.29140871 0.58817568 -1.20248143 -1.21247016 Fe 1.61455359 4.53253581 4.64904689 0.66820305 -0.70627891 -0.42997761 Fe 2.78091226 3.10609294 2.96603997 0.89907599 -1.03397221 0.32312331 Fe 4.30598025 4.32157598 4.51361598 -0.57612289 -0.67812106 -0.92507545