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=19.6953620255 stress="-15.715209213252193 1.4583435263035611 -1.0070906648792444 1.4583435263035611 -32.63261118908594 -17.852608321828004 -1.0070906648792444 -17.852608321828004 -27.26225182493053" pbc="F F F" Fe 0.13102478 0.09995250 0.26120756 -16.76234347 -85.17041816 -76.39241988 Fe 1.51193751 1.63197526 -0.03568003 18.58835400 7.91812746 -16.20609442 Fe 1.54396501 0.07236142 1.70379337 26.68584467 -19.02611011 12.47700333 Fe 0.23854596 1.26922180 1.28229695 -28.51185520 96.27840080 80.12151096