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=-194.79716523530828 stress="0.00019326246977311053 0.00011125655348529963 0.00010463847565804902 0.00011125655348529963 0.0002515322108695093 -1.7210165538303632e-05 0.00010463847565804902 -1.7210165538303632e-05 0.00019962904318757114" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.08328982 1.03561556 0.90119257 Fe 22.70960170 22.31143450 22.33833517 -2.29219965 3.95976525 2.09617057 Fe 23.64028300 20.89839703 21.13492844 1.13789177 -1.57263296 -1.47533738 Fe 25.27812781 22.51878885 22.32834452 -0.46858228 1.10848467 0.90840598 Fe 20.87679405 23.95894820 21.20259391 1.16918148 -0.99944893 1.14294742 Fe 22.56504129 25.20865944 22.36550211 -3.94942977 3.65263497 4.30040121 Fe 23.78802619 24.22277084 21.18584377 4.29892542 -3.59385428 -3.42363322 Fe 25.68362810 25.69581920 22.64685009 -2.45864135 -2.31812311 0.92981303 Fe 21.26959405 21.17626233 23.69529298 0.28035758 0.66163108 0.27823149 Fe 22.55137041 22.49207130 25.65300231 0.90465496 0.74462313 -2.04984394 Fe 24.03848316 20.95774659 23.73520295 -0.35409276 1.10275375 0.75434369 Fe 25.45789336 22.38825682 25.27041603 -1.62479299 1.13892032 -1.19682342 Fe 21.19178619 24.17895518 24.29140871 1.02846872 -1.35993013 -1.32541526 Fe 22.61455359 25.53253581 25.64904689 0.75867194 -1.31699551 -1.03022918 Fe 23.78091226 24.10609294 23.96603997 1.35335350 -1.22655965 0.68276850 Fe 25.30598025 25.32157598 25.51361598 -0.86705638 -1.01688415 -1.49299206