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=-11.020740844946015 stress="-25.061202845538336 9.109283049763034 -0.4757243815480763 9.109283049763034 -19.08977744173663 -3.4050747681488662 -0.4757243815480763 -3.4050747681488662 -10.573272930071552" pbc="F F F" Zr -0.00957146 -0.14312801 -0.02335587 -6.19947214 -3.26319199 -4.87091050 Zr 1.74122900 1.52201293 -0.13033448 2.49682689 3.48742791 -1.67378859 Ni 1.42534241 -0.01433724 1.31443107 14.83249101 -11.00414489 2.21278764 Ni 0.04376171 1.22051529 1.69273990 -11.12984576 10.77990898 4.33191146