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=-8.31101205583 stress="-0.511608526635246 -0.05431980662701303 0.09670972362083018 -0.05431980662701303 -0.5860040271080578 -0.05531354820150374 0.09670972362083018 -0.05531354820150374 -0.6356395857187493" pbc="F F F" Cu -0.03624564 -0.09416457 -0.24440284 -0.79569836 -1.30030422 -1.12917276 Cu 1.20178472 1.79874826 -0.22709028 1.20832308 1.07234875 -1.00481662 Cu 1.38090187 -0.13863341 1.55835534 0.81854898 -0.59204617 0.70670951 Cu -0.25354363 1.48193431 1.42001865 -1.23117370 0.82000164 1.42727987