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=2.112848404358682 stress="-1.9697489589275479 -0.6152296275832785 -0.1488543403845252 -0.6152296275832785 -2.031780072193543 0.546804296820306 -0.1488543403845252 0.546804296820306 -1.6821249953183173" free_energy=2.112848404358682 pbc="T T F" Fe -0.13449789 -0.21197381 0.22277084 16.59790811 22.66068876 -17.96221578 Fe 1.68584377 1.68362810 0.19581920 -20.85472609 -11.88825214 -15.83135202 Fe 1.64685009 0.42259636 1.67626233 -10.56610850 -7.65871264 11.38223914 Fe -0.14597521 1.70996341 1.49207130 14.82292649 -3.11372398 22.41132866