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=-19.43567514781772 stress="-0.7751659020071165 0.05517910237824892 0.08744147493880318 0.05517910237824892 -2.504275583604663 -0.5540624660646553 0.08744147493880318 -0.5540624660646553 -0.9942382235958918" free_energy=-19.43567514781772 pbc="F T F" Ni 0.08611608 0.03369179 0.02598936 -3.74985522 -5.26220205 -6.68480553 Ni 1.22329650 1.46375436 0.29874826 5.36982228 -6.71149949 -15.82678404 Ni 1.27290972 -0.11909813 1.36136659 12.16746776 5.33096660 13.38921312 Ni 0.05835534 1.24645637 1.48193431 -13.78743482 6.64273494 9.12237645