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=-6.444356087301584 stress="0.8605939389783577 -2.539273333919139 -0.8285724280068217 -2.539273333919139 2.321151348531536 -0.471440584247911 -0.8285724280068217 -0.471440584247911 1.9706543617832128" pbc="F F F" Ni 0.16431082 -0.18574270 -0.01155935 -0.91382144 -0.16263452 0.20619401 Ni 1.53277713 1.39971974 -0.12633864 0.15288241 0.18383338 1.00194609 Ni 1.46097674 -0.21780693 1.71813893 -0.45317869 1.34565051 -0.60358977 Ni -0.23283931 1.69410236 1.33096497 1.21411771 -1.36684936 -0.60455033