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=3.592897999211572 stress="-1.2733146437098322 -0.2780759256543423 0.3841520103613507 -0.2780759256543423 -2.1035441060597617 0.3860107059620894 0.3841520103613507 0.3860107059620894 -1.8975441123221637" pbc="F T T" Cu 0.22094491 0.23171545 0.18190327 -11.90233915 -0.16758661 -4.23805585 Cu 1.32183498 1.71219253 -0.07514625 11.88230344 -13.62994701 9.58145458 Cu 1.62990665 -0.21779550 1.78278197 13.58685915 15.75754968 -13.88500558 Cu 0.06210000 1.70397289 1.32702941 -13.56682344 -1.96001606 8.54160685