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=-7.72914133058 stress="0.03081783493241054 0.028802237088283163 0.16538479812982423 0.028802237088283163 -0.0915678862909244 0.24065424542974664 0.16538479812982423 0.24065424542974664 -0.08914815728434818" pbc="F F F" Fe -0.04210664 -0.11174318 -0.22958397 0.44832499 0.40081812 0.43307882 Fe 1.69178619 1.67895518 0.29140871 0.20234614 0.61763332 -1.04136581 Fe 1.61455359 0.03253581 1.64904689 -0.36228530 -0.78340593 0.46306690 Fe -0.21908774 1.60609294 1.46603997 -0.28838583 -0.23504551 0.14522009