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=-2.419679090546807 stress="-6.473704270782603 -0.058563512503602366 3.1064909382291446 -0.058563512503602366 -3.360650099427156 0.37059865709711226 3.1064909382291446 0.37059865709711226 -5.624069724343554" pbc="F F F" Ni 0.05791531 -0.26612504 0.08501927 -0.75130468 -0.99846077 -0.81303141 Cu 1.56603388 1.50693356 0.16501753 3.35572781 1.16418040 -3.29116629 Cu 1.72580078 -0.07133680 1.68883157 0.73042113 -0.98875440 1.21447914 Ni -0.00044125 1.54313966 1.44832183 -3.33484426 0.82303477 2.88971856