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=-5.012499032684163 stress="-3.8888545444749942 -1.6316865333862955 0.17921541666467622 -1.6316865333862955 -5.543179352950479 -0.7066475919411574 0.17921541666467622 -0.7066475919411574 -4.24393512428434" pbc="F F F" Cu -0.12280496 -0.20130994 0.11041876 -1.87175000 -3.07254451 -1.33912556 Cu 1.26735611 1.33533445 -0.25851365 1.62892324 1.93278586 -1.42151797 Cu 1.58611608 0.03369179 1.52598936 0.89206683 -0.47228938 1.19269872 Cu -0.27670350 1.46375436 1.40583543 -0.64924007 1.61204804 1.56794481