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=-4.339214627712113 stress="-0.5716647719306726 0.0017893444971919309 0.032031869029649974 0.0017893444971919309 -0.669188407582371 0.006128757432662542 0.032031869029649974 0.006128757432662542 -0.5542933228858237" pbc="F T F" Ni 0.15720406 -0.23435154 0.29768454 -7.37452275 1.19468566 -5.31207070 Ni 1.48273691 1.36065667 0.17089611 5.09124645 -1.49146769 -6.60853021 Ni 1.47011124 -0.29779682 1.21755886 6.99333024 1.57106880 5.49904954 Ni 0.26235339 1.34838096 1.71005355 -4.71005393 -1.27428676 6.42155137