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=-3.043444634222119 stress="-1.5376107863279356 0.5974484597332368 -0.11547787392895674 0.5974484597332368 -1.4901663179835394 -0.01668916047343086 -0.11547787392895674 -0.01668916047343086 -2.6423608451006366" pbc="T T T" Ni 0.24624097 0.14302402 -0.14501107 -17.23812270 -3.20524817 -3.05131572 Ni 1.61042859 1.70947124 -0.14487149 1.10647483 -8.74364087 -1.15110373 Ni 1.27567134 -0.08666117 1.28513563 16.28270026 2.19586765 8.11079504 Ni -0.12758765 1.32230844 1.41049160 -0.15105239 9.75302138 -3.90837560