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=4.991810649151232 stress="-42.091888461599666 -7.950605533875586 5.551608249725762 -7.950605533875586 -51.97475905815696 3.4829342257780844 5.551608249725762 3.4829342257780844 -59.9575513459895" pbc="F F F" Ni 0.11018303 0.20613893 0.00672469 -13.47953332 -25.45785812 -18.34247094 Ni 1.36378463 1.44857885 0.18843096 20.53906765 31.13415654 -27.14660745 Fe 1.67061300 0.29169807 1.46863002 8.80770697 -18.56365646 20.83969277 Fe -0.05369362 1.36081551 1.40329508 -15.86724130 12.88735803 24.64938562