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=-9.16240977331 stress="-0.7440485087560837 -0.3243066668955009 0.033740161482316906 -0.3243066668955009 -1.095071992670113 -0.14166060232924305 0.033740161482316906 -0.14166060232924305 -0.8274626364555873" pbc="F F F" Ni -0.12280496 -0.20130994 0.11041876 -2.01382868 -3.36946999 -1.45796741 Ni 1.26735611 1.33533445 -0.25851365 1.74698875 2.11419668 -1.52703511 Ni 1.58611608 0.03369179 1.52598936 0.93138015 -0.50945081 1.28583006 Ni -0.27670350 1.46375436 1.40583543 -0.66454022 1.76472412 1.69917246