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=21.456246973360123 stress="-5.223561944167477 0.10052597716388062 -0.9017781085312558 0.10052597716388062 -4.679555645799343 -0.03785360931623855 -0.9017781085312558 -0.03785360931623855 -5.293561706177221" pbc="T T T" Fe 0.20947124 -0.14487149 0.05280714 -47.02907406 -9.75157014 -19.19251836 Fe 1.41333883 1.34655491 -0.12758765 23.85791458 7.99767058 4.87516243 Fe 1.32230844 -0.08950840 1.22286420 37.67257673 -12.90744131 34.20222169 Fe -0.06141927 1.25205420 1.65488783 -14.50141726 14.66134088 -19.88486576