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=-9.398759231938165 stress="-0.6008435743034197 0.041015518692217916 0.0474184963422058 0.041015518692217916 -0.589617935313953 0.021892734500970682 0.0474184963422058 0.021892734500970682 -0.5662251974698979" free_energy=-9.398759231938165 pbc="T T F" Ni 2.95894820 0.20259391 0.06504129 -2.06160955 -2.60347348 -4.79782912 Ni 1.20865944 1.36550211 0.22277084 3.18546365 3.28371358 -5.13297328 Ni 1.53986855 0.18362810 1.69581920 1.43356949 -0.66602564 4.95913883 Ni 0.14685009 1.76166535 1.67626233 -2.55742359 -0.01421446 4.97166357