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=-3.312763337096742 stress="-0.9639867514503409 0.11636547547154048 0.12224600413993934 0.11636547547154048 -0.8540345183628127 0.035609856969605565 0.12224600413993934 0.035609856969605565 -0.9143587276972954" pbc="T F F" Ni -0.16773400 0.12036030 0.24843919 7.52817774 -10.33155406 -7.84993130 Ni 1.64432661 1.26023492 0.24849743 -5.40154090 10.47084446 -9.58415293 Ni 1.75911890 0.19019325 1.69877714 -4.32014751 -7.85830682 11.37034122 Ni 0.10881314 1.63250256 1.60031152 2.19351066 7.71901642 6.06374300