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=-4.8076000532 stress="-0.1600432067713499 0.09554022194334146 0.13757727395538116 0.09554022194334146 -0.23032008080443925 0.11713363067952923 0.13757727395538116 0.11713363067952923 -0.17689658071602696" pbc="F F F" Cu -0.04210664 -0.11174318 -0.22958397 0.30413230 -0.04395853 -0.03161770 Cu 1.69178619 1.67895518 0.29140871 0.34200745 0.56224381 -0.85870381 Cu 1.61455359 0.03253581 1.64904689 0.17584899 -0.91694792 0.41514411 Cu -0.21908774 1.41207319 1.46603997 -0.82198874 0.39866265 0.47517740