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=-5.511125805496804 stress="-1.2914127145968788 0.4386537774256415 0.3030238853703611 0.4386537774256415 -1.2418099009454453 0.08072261011107823 0.3030238853703611 0.08072261011107823 -0.9968087732005317" pbc="T F F" Ni -0.26612504 0.08501927 0.06603388 6.76400085 -7.12569295 -9.39417981 Ni 1.50693356 1.66501753 0.22580078 -2.41759578 12.14198046 -8.93026252 Ni 1.39533562 0.18883157 1.49955875 1.66606266 -16.81892869 10.36250203 Ni 0.04313966 1.44832183 1.75980354 -6.01246772 11.80264118 7.96194030