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=-9.118707856852835 stress="-35.971519648895935 -3.5616212598354045 0.3196437146907254 -3.5616212598354045 -35.178646202907196 -1.6572300913704812 0.3196437146907254 -1.6572300913704812 -31.210111271306367" pbc="F F F" Ni 0.01193751 0.25226748 -0.03568003 -13.70361181 -11.48359265 -12.50921744 Ni 1.54396501 1.57236142 0.20379337 15.08582487 14.22930118 -10.57411757 Ni 1.73854596 -0.23077820 1.28229695 7.49093679 -10.60103164 9.12966883 Ni 0.02031036 1.68745344 1.52015752 -8.87314985 7.85532311 13.95366618