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=-6.5791923324214485 stress="-0.5638819110206977 -0.0755101914351759 0.12820303358339713 -0.0755101914351759 -0.5520305197751593 0.053708542852954476 0.12820303358339713 0.053708542852954476 -0.48300698370789796" free_energy=-6.5791923324214485 pbc="F T T" Fe 0.22094491 0.30205975 0.18190327 -5.12984992 -0.72298623 -1.12348292 Fe 1.32183498 1.71219253 2.92485375 5.63910751 -4.02013803 2.39726415 Fe 1.62990665 2.78220450 1.78278197 5.69960760 4.60383716 -4.02022799 Fe 0.06210000 1.68215332 1.32702941 -6.20886520 0.13928710 2.74644677