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=-3.219218021193623 stress="-0.45464984113592594 0.080744619697193 -0.05358990896997339 0.080744619697193 -0.6473462113788078 -0.011818052081400816 -0.05358990896997339 -0.011818052081400816 -0.6097393400180448" free_energy=-3.219218021193623 pbc="T F F"
Fe       2.99451428       0.09073906       0.27219963      -2.23156113      -6.67864940      -7.31267048 
Fe       1.43381326       1.63132919       0.25978669       2.06277606       4.83513641      -5.32478610 
Fe       1.22592512       0.18365717       1.70288723       5.00037627      -7.02010693       6.03057601 
Fe       0.08343331       1.29585403       1.44809454      -4.83159120       8.86361992       6.60688056