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=-6.829728681275462 stress="-4.3995992365338985 0.13619221030668802 -0.9513531275519609 0.13619221030668802 -6.1722089476648 -1.2715532727656966 -0.9513531275519609 -1.2715532727656966 -5.4365672315617" pbc="F F F" Ni 0.06197714 0.12968218 0.21980528 -1.56456327 -3.09416904 -2.88828520 Ni 1.78251345 1.54609472 -0.04539058 0.98285070 1.19762972 -1.21868751 Ni 1.57327937 0.19989723 1.62961200 1.65846539 -1.08341349 2.24782667 Ni -0.12574141 1.65720406 1.26564846 -1.07675282 2.97995280 1.85914605