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=-2.40908132647 stress="-8.538812699910997 -0.7463115984812912 -1.2717864431054935 -0.7463115984812912 -4.780496147499961 0.44565225700198935 -1.2717864431054935 0.44565225700198935 -8.598496699687104" pbc="F F F" Fe 0.05988540 -0.29754255 0.16431082 -14.08955366 -7.93578447 -13.95116758 Fe 1.31425730 1.48844065 0.03277713 10.54019214 7.97007314 -14.26089990 Fe 1.39971974 0.06776372 1.46097674 14.98080968 -4.21607323 19.26044939 Fe -0.21780693 1.54910390 1.26716069 -11.43144816 4.18178456 8.95161809