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=-6.838463379392291 stress="-3.888682609255709 1.3406683979287346 0.6037237186355671 1.3406683979287346 -4.736915789919733 1.442942809919752 0.6037237186355671 1.442942809919752 -5.780305741083144" pbc="F F F" Ni -0.25354363 -0.01806569 -0.07998135 -0.50537597 -0.95525408 -0.70370878 Ni 1.70070203 1.20342959 -0.09914834 1.02614677 1.65888716 -2.96379482 Ni 1.49793547 0.28187239 1.51001192 1.32636484 -2.91728326 2.85126548 Ni -0.01546661 1.60170120 1.37793365 -1.84713563 2.21365019 0.81623811