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=-5.46678085474 stress="-2.0582274114480557 -0.578118640577135 0.6724583420583355 -0.578118640577135 -1.9211762041654583 -0.19693233217942016 0.6724583420583355 -0.19693233217942016 -1.5702030887240301" pbc="F F F" Cu -0.16903503 -0.11798803 -0.06699407 -3.59777037 -5.69547607 -1.32021624 Cu 1.22002482 1.27696427 -0.08338442 6.55267889 4.26702723 -4.24680485 Cu 1.46512192 0.22586561 1.79391194 0.92728629 -1.54165058 1.65658504 Cu -0.27385471 1.52103145 1.27761356 -3.88219481 2.97009942 3.91043605