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=10.068979828445059 stress="-3.2958600619532548 0.008445171979954752 -0.35197355044385137 0.008445171979954752 -3.2237722008546896 0.1272147922766243 -0.35197355044385137 0.1272147922766243 -2.585509551967185" free_energy=10.068979828445059 pbc="T T T" Fe 2.91333883 2.66081220 2.87241235 -3.98383426 7.94721303 17.87592673 Fe 1.32230844 1.41049160 2.72286420 14.95806363 -12.88976738 27.87542784 Fe 1.43858073 2.75205420 1.65488783 4.39538023 8.31312815 -21.78410543 Fe 0.05988540 1.20245745 1.66431082 -15.36960959 -3.37057380 -23.96724914