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=1.7212852984273121 stress="-2.0327338897905722 0.00998546523792472 -0.3791689351778442 0.00998546523792472 -2.804406675891151 0.33209278758357025 -0.3791689351778442 0.33209278758357025 -2.7964513866290464" pbc="F T T" Ni 0.08501927 0.06603388 0.00693356 -14.43756406 -4.26209064 14.57280411 Ni 1.66501753 1.72580078 -0.07133680 22.53040615 -12.10079832 19.19985714 Ni 1.68883157 -0.00044125 1.54313966 14.48558990 11.18918370 -9.93349982 Ni 0.25980354 1.46667242 1.77143892 -22.57843199 5.17370525 -23.83916143