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=-5.181180528098888 stress="-8.35891498034092 0.1411016564835772 -0.7727146516511896 0.1411016564835772 -7.308407667310533 0.6474030460861342 -0.7727146516511896 0.6474030460861342 -7.841052009027731" pbc="F F F" Ni 0.03369179 0.02598936 -0.27670350 -3.13935728 -2.31949149 -2.53643158 Ni 1.46375436 1.40583543 -0.24440284 2.10731457 3.32560561 -2.35317570 Ni 1.20178472 0.29874826 1.27290972 4.16615977 -3.82369248 3.69827335 Ni -0.11909813 1.36136659 1.55835534 -3.13411707 2.81757837 1.19133393