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=-9.21317823305 stress="-1.0646044602492133 0.0789301934492695 -0.1788889639248714 0.0789301934492695 -2.042615761706089 -0.9281915463062879 -0.1788889639248714 -0.9281915463062879 -1.8650364499821634" pbc="F F F" Ni -0.14459490 0.11115480 0.11044915 -2.01163908 -5.77457092 -6.13977176 Ni 1.70960170 1.31143450 0.04092907 1.59861141 1.30862204 -1.15208423 Ni 1.28829595 -0.16490224 1.64041416 1.72903398 -1.65035439 2.40446960 Ni -0.22187219 1.51878885 1.32834452 -1.31600631 6.11630327 4.88738639