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=54.57270220975983 stress="-6.836991997743409 1.3349298304148602 -0.16879914575311789 1.3349298304148602 -4.864477906928212 -0.005135554221415309 -0.16879914575311789 -0.005135554221415309 -4.191404383915399" pbc="T F F" Au -0.22153142 0.09073906 0.27219963 10.71594047 -50.97433169 -48.27931750 Au 1.43381326 1.63132919 0.25978669 -10.67047917 39.39517421 -38.77745920 Au 1.22592512 0.18365717 1.70288723 17.57735976 -50.97557156 40.49156693 Au 0.08343331 1.29585403 1.44809454 -17.62282106 62.55472905 46.56520977