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=-5.778262343535953 stress="-1.2933908046859743 0.12482218852443154 -0.11522369301210142 0.12482218852443154 -1.5031526945559444 -0.05547917239859165 -0.11522369301210142 -0.05547917239859165 -1.5123758188697474" free_energy=-5.778262343535953 pbc="T T T" Ni -0.14459490 0.11115480 0.11044915 5.28903078 -7.84105656 -2.25940148 Ni 1.70960170 1.31143450 -0.16166483 -9.94967202 5.04637090 1.95720821 Ni 1.28829595 -0.16490224 1.64041416 -1.45442906 -0.84759834 -3.19747808 Ni -0.22187219 1.39558290 1.32834452 6.11507031 3.64228400 3.49967136