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=-4.152701069243231 stress="-1.0340742236680354 0.05868594118994352 -0.12300411016823867 0.05868594118994352 -1.3131923117960822 0.29951427690200816 -0.12300411016823867 0.29951427690200816 -1.3821323447981881" pbc="F T F" Fe 0.07255377 0.14066906 0.01258782 -11.24993254 -2.82412091 -11.26401894 Fe 1.66911338 1.30454100 0.12365747 7.05383226 11.52471322 -16.19134575 Ni 1.45588739 -0.04702487 1.34681875 11.90175161 -14.34382948 21.20171283 Ni 0.04737131 1.29056869 1.74404962 -7.70565133 5.64323717 6.25365187