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=0.961383911718 stress="-13.236369124609464 6.068221100312926 -1.9893565029639695 6.068221100312926 -13.928941918636284 -1.1999241138520944 -1.9893565029639695 -1.1999241138520944 -11.431404256742502" pbc="F F F" Fe -0.01433724 -0.18556893 0.04376171 -17.39112745 -6.43077819 -15.91714753 Fe 1.22051529 1.52132027 -0.19277068 7.92855956 5.05250789 -12.36776498 Fe 1.26172667 0.05332204 1.38436473 36.01465464 -28.28120007 15.26177985 Fe 0.23110688 1.49816022 1.51283276 -26.55208675 29.65947038 13.02313266