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=-5.923025071888698 stress="-1.4240264453868536 2.0298220953190285 0.8225189562662347 2.0298220953190285 -4.279806817301446 5.4242964193486705 0.8225189562662347 5.4242964193486705 -6.646662192294811" pbc="F F F" Ni -0.25354363 -0.01723967 -0.07998135 0.46793176 0.26970346 0.76571152 Ni 1.55569096 1.20342959 -0.09914834 0.06869994 3.08896388 -4.87999101 Ni 1.49793547 0.28187239 1.51001192 0.94323368 -4.50565053 4.64319052 Ni -0.01546661 1.60170120 1.48836224 -1.47986539 1.14698320 -0.52891103