4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=5.052827557902026 stress="-3.1555677862928575 -0.8258422463982107 0.46668118421450244 -0.8258422463982107 -2.9260031716806116 0.17320833018488865 0.46668118421450244 0.17320833018488865 -2.3415183261836474" pbc="T T F" Fe -0.04105180 0.20259391 0.06504129 -24.74276970 -26.99673717 -11.28904405 Fe 1.20865944 1.36550211 0.22277084 36.24649240 33.09189890 -30.73089418 Fe 1.53986855 0.18362810 1.69581920 11.12167560 -3.86270135 18.65105019 Fe 0.14685009 1.76166535 1.67626233 -22.62539830 -2.23246038 23.36888804