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=33.69680764386321 stress="-5.14306985851116 -0.14416219744122236 0.12887476992447458 -0.14416219744122236 -3.9765510177329983 -0.298374625048234 0.12887476992447458 -0.298374625048234 -5.947607956028896" pbc="T F T" Pd 0.03848316 0.19178619 0.17895518 18.77901579 -39.33596785 -20.34765162 Pd 1.79140871 1.61455359 0.03253581 -26.99555199 35.65693126 -4.90814458 Pd 1.64904689 0.10609294 1.46603997 -27.16435437 -43.17527947 11.10215225 Pd -0.19401975 1.32157598 1.51361598 35.38089057 46.85431606 14.15364395