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=236.53595170726044 stress="-22.504838276099278 0.7281054041121595 0.18341228562661963 0.7281054041121595 -22.735827625558628 -0.2680328045813656 0.18341228562661963 -0.2680328045813656 -22.91126088723681" pbc="T T T" Cd -0.14459490 0.11115480 0.11044915 15.16331662 -30.45058877 -8.99071926 Cd 1.70960170 1.31143450 -0.16166483 -42.77031935 22.25461866 5.80489573 Cd 1.16509000 -0.16490224 1.64041416 14.61617053 5.40767676 -11.50028550 Cd -0.22187219 1.47773705 1.32834452 12.99083220 2.78829335 14.68610903