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=-7.9330965333 stress="-2.4843570253406435 0.895360996410926 -0.265399684669153 0.895360996410926 -2.591797746038528 -0.28409911665050414 -0.265399684669153 -0.28409911665050414 -2.4169749051884954" pbc="F F F" Ni -0.17842402 0.01361598 -0.14801295 -2.34365519 -2.55260223 -4.43268953 Ni 1.47567541 1.56329927 -0.06254558 1.46635038 2.18748044 -2.11699306 Ni 1.27846858 -0.00548572 1.34126820 5.34159159 -5.06064833 3.09856923 Ni -0.15859300 1.31668137 1.41986395 -4.46428678 5.42577013 3.45111336