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=-6.28299335578 stress="-3.2489939731427246 -0.346463436733178 0.7286052203183586 -0.346463436733178 -4.163929438931296 1.1659218445219277 0.7286052203183586 1.1659218445219277 -4.491747014849928" pbc="F F F" Fe 0.15586213 -0.09604453 -0.16773400 -6.09298448 -6.30578290 -1.62492520 Fe 1.23049600 1.62036030 -0.04368752 7.19606070 11.91535768 -12.88361958 Fe 1.74843919 0.14432661 1.26023492 5.92483946 -7.01599560 5.86485915 Fe 0.24849743 1.61343760 1.69019325 -7.02791568 1.40642082 8.64368563