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=-1.9869635845535014 stress="-1.785979692283621 0.32126560816884364 -0.2541401696600094 0.32126560816884364 -1.7750428106949314 -0.23994684592115442 -0.2541401696600094 -0.23994684592115442 -1.7582774921009061" free_energy=-1.9869635845535014 pbc="T T F" Ni 0.18584377 0.37541429 0.19581920 -9.17163072 -18.22700468 -25.48522563 Ni 1.64685009 1.55050631 0.17626233 4.14114256 12.54494070 -11.50274215 Ni 1.35402479 0.20996341 1.49207130 17.32460876 -13.00657771 16.67628981 Ni 0.15300231 1.53848316 1.45774659 -12.29412060 18.68864169 20.31167798