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=-9.896935492358274 stress="-0.7271273973351587 -0.1581755108180637 0.25086858848538074 -0.1581755108180637 -1.2269409021770252 0.11122024253761162 0.25086858848538074 0.11122024253761162 -1.0554565378635141" free_energy=-9.896935492358274 pbc="F T T" Ni 0.22094491 0.30205975 0.18190327 -6.24791169 -2.00988668 -1.54041637 Ni 1.32183498 1.71219253 -0.07514625 8.26623938 -4.29355399 2.00227490 Ni 1.62990665 -0.21779550 1.78278197 6.51331453 6.37753333 -5.77309727 Ni 0.06210000 1.68215332 1.32702941 -8.53164222 -0.07409266 5.31123874