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=-4.765536947087281 stress="-0.7326387768684551 -0.022750831912895005 0.1396383050934979 -0.022750831912895005 -1.0680433691723217 0.4938720158691487 0.1396383050934979 0.4938720158691487 -1.0808383827424162" free_energy=-4.765536947087281 pbc="F F T" Ni 0.05835534 0.20070203 2.70342959 -8.22299400 -9.68392040 5.32703695 Ni 1.40085166 1.49793547 0.28187239 7.81045591 11.85855211 -7.47188926 Ni 1.51001192 0.10170120 1.37793365 6.17516582 -10.22464832 4.23018873 Ni 0.00082602 1.74624097 1.64302402 -5.76262773 8.05001660 -2.08533642