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=-3.92778799764 stress="-5.6504304227955755 2.1392765276536188 0.4180327396101309 2.1392765276536188 -4.470667867678041 0.08374229744237938 0.4180327396101309 0.08374229744237938 -3.58762107920291" pbc="F F F" Fe 0.03369179 0.02598936 -0.27670350 -4.42617653 -3.19083179 -3.86681422 Fe 1.46375436 1.40583543 -0.24440284 3.25456788 5.43644804 -4.83655155 Fe 1.20178472 0.29874826 1.27290972 13.77656057 -12.64415829 4.97318473 Fe -0.11909813 1.36136659 1.55835534 -12.60495192 10.39854203 3.73018105