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=4.620211298818743 stress="-3.7234063060726474 -0.05212242130905872 0.32333698369712527 -0.05212242130905872 -4.300267839870027 0.20051945225752454 0.32333698369712527 0.20051945225752454 -1.9224441197268922" pbc="T T F" Ni 0.25551247 -0.14555376 0.06482696 -10.94172904 5.24882911 -18.40131836 Ni 1.34620060 1.51821382 0.15586213 13.43433077 -3.79528681 -17.00284284 Ni 1.40395547 -0.16773400 1.23049600 11.11419257 5.06101657 11.87974068 Ni 0.12036030 1.45631248 1.74843919 -13.60679430 -6.51455887 23.52442053