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=-5.18118052574872 stress="-8.35891502661643 0.14110104756385056 -0.7727144230894689 0.14110104756385056 -7.308408096590639 0.6474035509678826 -0.7727144230894689 0.6474035509678826 -7.841052208702015" pbc="F F F" Ni 0.03369179 0.02598936 -0.27670350 -3.13935744 -2.31949170 -2.53643138 Ni 1.46375436 1.40583543 -0.24440284 2.10731492 3.32560611 -2.35317604 Ni 1.20178472 0.29874826 1.27290972 4.16615941 -3.82369261 3.69827356 Ni -0.11909813 1.36136659 1.55835534 -3.13411690 2.81757819 1.19133386