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=30.570282479781156 stress="-6.385080280168319 -1.6343730506863912 -0.9216147700935063 -1.6343730506863912 -5.360231040030304 1.9318773559612312 -0.9216147700935063 1.9318773559612312 -4.781747743771185" pbc="T T F" Fe 0.06504129 -0.29134056 0.22277084 32.18904922 83.04777334 -53.91440266 Fe 1.68584377 1.68362810 0.19581920 -54.55474327 -42.73915293 -44.97627706 Fe 1.64685009 0.26959405 1.67626233 -27.01285855 -11.66630201 12.88347098 Fe -0.14597521 1.70996341 1.49207130 49.37855260 -28.64231840 86.00720875