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:Z:I:1:forces:R:3 energy=-7.134390496842288 pbc="T F F" Fe -0.16500444 -0.12758765 -0.17769156 26 1.12500666 -6.12432850 -2.27760417 Fe 1.41049160 1.22286420 -0.06141927 26 -3.57307561 6.74193513 -9.02804983 Fe 1.28483134 0.15488783 1.55988540 26 -0.95184480 -6.13923396 6.43434163 Fe -0.29754255 1.66431082 1.31425730 26 3.39991375 5.52162733 4.87131237