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=-3.846844720818431 stress="-0.3414903035412933 0.23174515551691052 0.0974312060477819 0.23174515551691052 -0.8679640258174098 -0.02118922847941172 0.0974312060477819 -0.02118922847941172 -0.6802165480018729" pbc="T T F" Ni -0.29134056 0.01850442 0.22277084 3.30775240 -3.19443054 -6.48710661 Ni 1.68584377 1.68362810 0.19581920 -1.80146766 2.69404175 -6.74409532 Ni 1.64685009 0.30807721 1.67626233 -4.16560531 0.05198010 7.54494783 Ni -0.14597521 1.66771000 1.49207130 2.65932057 0.44840869 5.68625409