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=-0.7169546013003634 stress="-1.6300244578323329 -0.17443223079676717 -0.05680901834950296 -0.17443223079676717 -1.9443920533326298 0.2954011192478067 -0.05680901834950296 0.2954011192478067 -2.067473598304398" pbc="F T T" Ni 0.07034430 0.04852473 0.01848935 -14.83227468 3.42031185 3.41537195 Ni 1.41561068 1.63661615 -0.09519967 15.58960432 -14.46173840 13.11474329 Ni 1.37719504 -0.20130994 1.61041876 17.85362076 18.58168131 -12.27521389 Ni 0.08611608 1.53369179 1.52598936 -18.61095040 -7.54025476 -4.25490134