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=1.2660373409704864 stress="-42.81608325766564 10.801426670305327 -11.65267636624019 10.801426670305327 -40.26462659680476 -6.813481841925359 -11.65267636624019 -6.813481841925359 -42.95102803310592" pbc="F F F" Fe 0.18584377 0.18362810 0.19581920 -16.49974901 -12.34320024 -25.78738133 Fe 1.64685009 1.76959405 0.17626233 7.85994203 6.39311861 -7.59112037 Fe 1.35402479 0.20996341 1.49207130 26.32457155 -16.60785245 19.84937862 Fe 0.15300231 1.53848316 1.45774659 -17.68476457 22.55793408 13.52912308