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=-6.677948396438695 stress="-0.43798165928455396 -0.04505162735148024 0.06171117030653021 -0.04505162735148024 -0.6180482814121296 0.014218134388265321 0.06171117030653021 0.014218134388265321 -0.5923325514487656" pbc="F T T" Cu 0.22094491 0.30205975 0.18190327 -4.06263196 -0.29623703 -0.91768131 Cu 1.32183498 1.71219253 -0.07514625 4.34932567 -2.00000407 1.07062542 Cu 1.62990665 -0.21779550 1.78278197 4.45962871 2.41287709 -1.83003234 Cu 0.06210000 1.68215332 1.32702941 -4.74632242 -0.11663599 1.67708823