16 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=-42.11707530222198 stress="0.00013788898099291517 4.483415688702652e-05 5.174915735522239e-05 4.483415688702652e-05 0.00018350274706399608 -7.176892988032123e-06 5.174915735522239e-05 -7.176892988032123e-06 0.00014915857363024225" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 0.88991304 0.68546338 0.60664902 Fe 22.70960170 22.31143450 22.33833517 -1.00821919 2.09084621 0.96876098 Fe 23.78829595 20.83509776 21.14041416 0.26455203 -0.52990662 -0.32699196 Fe 25.27812781 22.51878885 22.32834452 -0.40627733 0.59710671 0.74692570 Fe 20.87679405 23.95894820 21.20259391 0.70721097 -0.83663152 0.76848633 Fe 22.56504129 25.20865944 22.36550211 -1.83568538 1.94427980 2.20415910 Fe 23.78802619 24.22277084 21.18584377 2.09379148 -1.73456262 -1.59207742 Fe 25.68362810 25.69581920 22.64685009 -1.53878999 -1.42004250 0.62388168 Fe 21.26959405 21.17626233 23.70601184 0.16396649 0.54335799 0.29252175 Fe 22.70996341 22.49207130 25.65300231 0.32759916 0.60885895 -1.15556611 Fe 24.03848316 20.95774659 23.91852158 -0.47001716 0.71037385 -0.25524051 Fe 25.45789336 22.38825682 25.27041603 -0.76737594 0.96170998 -0.63710865 Fe 21.19178619 24.17895518 24.29140871 0.58817568 -1.20248143 -1.21247016 Fe 22.61455359 25.53253581 25.64904689 0.66820305 -0.70627891 -0.42997761 Fe 23.78091226 24.10609294 23.96603997 0.89907599 -1.03397221 0.32312331 Fe 25.30598025 25.32157598 25.51361598 -0.57612289 -0.67812106 -0.92507545