4 Lattice="3.25 0.0 0.0 0.0 3.25 0.0 0.0 0.0 3.25" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=335.77943634667815 pbc="T T T" Fe -0.00925081 -0.00152029 0.00395620 26 -384.83640889 -372.29888321 -382.32996605 Fe 0.80859090 0.79865429 -0.00034286 26 370.65569426 378.83979784 -372.83461950 Fe 0.80257926 -0.00991206 0.80104259 26 382.60086923 -384.40026031 377.80044946 Fe -0.00500850 0.79649784 0.81817119 26 -368.42015460 377.85934567 377.36413609