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=-1.7052182370793278 stress="-1.607229013963439 0.2068770768306167 -0.34344526007815895 0.2068770768306167 -1.6301369082595911 -0.1282314623372766 -0.34344526007815895 -0.1282314623372766 -1.375146645264793" pbc="T T F" Fe 0.18584377 0.18362810 0.19581920 -8.91529999 -3.56309767 -19.17662385 Fe 1.64685009 1.68811563 0.17626233 1.95189153 0.64345884 -9.64917110 Fe 1.35402479 0.20996341 1.49207130 15.26244863 -6.10460113 16.43689998 Fe 0.15300231 1.53848316 1.45774659 -8.29904016 9.02423995 12.38889498