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=-7.997697263834173 stress="-5.594607960703666 -0.10380696788229782 -3.104629067291733 -0.10380696788229782 -3.383232142697886 -1.6917173721339869 -3.104629067291733 -1.6917173721339869 -5.079079144004883" pbc="F F F" Fe 0.12990665 -0.21779550 0.28278197 -3.06399301 -1.86716762 -3.49154578 Fe 1.56210000 1.63362859 -0.17297059 0.52094276 0.25996001 -0.47041974 Fe 1.57034430 -0.07428023 1.55473499 3.25942652 0.04587571 2.79645878 Fe -0.08438932 1.63661615 1.40480033 -0.71637627 1.56133190 1.16550674