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=10.11444502596657 stress="-2.5070084872161855 0.09222245662662107 -0.04706737561961271 0.09222245662662107 -2.1463065790289 0.5322442492679605 -0.04706737561961271 0.5322442492679605 -2.0474473641239905" pbc="T F F" Cu 0.08343331 0.22094491 0.23171545 -14.55421820 -15.59864166 -19.99502161 Cu 1.50893269 1.32183498 0.21219253 10.07893788 33.26635684 -27.41766508 Cu 1.42485375 0.12990665 1.28220450 13.67682227 -31.43627371 33.35759507 Cu 0.28278197 1.56210000 1.63362859 -9.20154195 13.76855853 14.05509162