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=-8.80603090086 stress="2.027589884670673 -0.006011366184062095 0.040189708397012545 -0.006011366184062095 0.96683800681545 -0.6182975762994917 0.040189708397012545 -0.6182975762994917 0.9593268432697393" pbc="F F F"
Fe       0.18883157      -0.01341636      -0.00828149       3.27620020       0.61102294       0.51797803 
C       1.44832183       1.75980354      -0.03332758      -3.51609453      -2.40494759       2.41254993 
C       1.77143892      -0.09704662       1.60338854      -3.50971281       1.93755710      -2.00800621 
Fe       0.24759167       1.57881305       1.42518197       3.74960714      -0.14363244      -0.92252176