16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-8.64198556442 stress="0.0852147008034105 -0.029209462181360345 -0.0307528135281513 -0.029209462181360345 0.13952684737109322 0.01298109631655539 -0.0307528135281513 0.01298109631655539 0.11657626567552196" pbc="F F F" Cu -0.16903503 -0.11798803 -0.06699407 1.72702611 1.98259139 0.87307781 H 0.98431742 1.27696427 1.41661558 -1.17426413 1.20295711 -0.68842340 Cu 2.96512192 0.35554779 0.51371722 -2.91345753 -0.90499309 -0.69918530 Cu 4.22614529 1.52103145 1.27761356 -0.04660254 3.57192601 2.47581252 Cu 0.18220204 2.89362841 0.23573857 1.36777788 -2.34790449 1.47904540 H 1.82701826 4.27538150 1.20296332 0.82005387 -1.01330172 -1.67374249 Cu 2.84887301 3.40627097 -0.21015034 -1.43168577 0.01694568 2.49282171 Cu 4.48735431 4.42299150 1.40698366 -0.19085697 -1.21924680 -0.23964779 H 0.13568052 -0.09846742 3.33092202 0.00000000 0.00000000 0.00000000 H 1.72956449 1.63546615 4.66914158 0.00000000 0.00000000 0.00000000 Cu 3.01791594 -0.15060402 3.04396501 0.32084206 0.45564793 -0.88153120 H 4.55509833 1.56445004 4.70865719 0.00000000 0.00000000 0.00000000 Cu 0.03157519 2.63067792 3.02031036 0.50476988 -0.59210482 -1.67811357 H 1.89750699 4.46984442 4.67565450 0.00000000 0.00000000 0.00000000 H 3.27711528 2.87871118 2.75213077 1.01639712 -1.15251722 -1.46011369 H 4.38835572 4.20867205 4.49303281 0.00000000 0.00000000 0.00000000