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=-3.6818055320085348 stress="-1.640552905477563 0.22974317547840725 -0.2969182625396898 0.22974317547840725 -1.665805059325564 -0.11391491064918628 -0.2969182625396898 -0.11391491064918628 -1.329366626001062" free_energy=-3.6818055320085348 pbc="T T F" Ni 0.18584377 0.18362810 0.19581920 -8.74354048 -3.87433586 -17.98571047 Ni 1.64685009 1.68811563 0.17626233 2.78125436 1.22524301 -9.88911475 Ni 1.35402479 0.20996341 1.49207130 15.94228308 -7.08813204 15.25129297 Ni 0.15300231 1.53848316 1.45774659 -9.97999696 9.73722489 12.62353225