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=-5.29365565556324 stress="-10.361536220385364 0.06646745598666759 -2.5014212680339116 0.06646745598666759 -10.254786792294398 -2.87093135883804 -2.5014212680339116 -2.87093135883804 -13.155034823884888" pbc="F F F" Cu 0.24624097 0.14302402 -0.14501107 -4.21318007 -4.72712556 -7.77081159 Cu 1.61042859 1.70947124 0.01001633 2.69646869 3.31054800 -0.95419145 Cu 1.55280714 -0.08666117 1.34655491 4.31448444 -2.41200393 4.20423423 Cu -0.12758765 1.32230844 1.41049160 -2.79777306 3.82858148 4.52076880