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=20.983838971351386 stress="-2.719947020342664 -0.7710376766201189 -0.20211247996680015 -0.7710376766201189 -2.9374529669662923 0.7222041430969668 -0.20211247996680015 0.7222041430969668 -2.5832095027489195" free_energy=20.983838971351386 pbc="T T F" Fe -0.13449789 -0.21197381 0.22277084 21.70146592 29.12349787 -26.16391581 Fe 1.68584377 1.68362810 0.19581920 -27.59812514 -14.92559760 -25.53298351 Fe 1.64685009 0.42259636 1.67626233 -15.04638839 -10.20885619 18.67410632 Fe -0.14597521 1.70996341 1.49207130 20.94304761 -3.98904407 33.02279300