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=-6.838463380840654 stress="-3.888682710332631 1.3406683536844328 0.6037237645355966 1.3406683536844328 -4.736916004265216 1.442942904433898 0.6037237645355966 1.442942904433898 -5.780305810895287" pbc="F F F" Ni -0.25354363 -0.01806569 -0.07998135 -0.50537601 -0.95525415 -0.70370875 Ni 1.70070203 1.20342959 -0.09914834 1.02614683 1.65888728 -2.96379489 Ni 1.49793547 0.28187239 1.51001192 1.32636483 -2.91728338 2.85126554 Ni -0.01546661 1.60170120 1.37793365 -1.84713565 2.21365026 0.81623810