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=-2.5748233281 stress="-0.022470474598423176 0.25784340604615796 0.2746422778782529 0.25784340604615796 1.0560013736729255 -0.03161190097618311 0.2746422778782529 -0.03161190097618311 0.9613985032432274" pbc="F F F" H -0.13189310 0.12937675 -0.24181915 0.96446459 2.23483444 2.05620361 Cu 1.55610615 1.29640878 0.21456242 -0.02212181 -2.62315640 0.97542119 H 1.54174008 -0.14736324 1.68492541 0.06871349 1.83012363 -1.84490236 Cu -0.16821827 1.38323780 1.26192411 -1.01105627 -1.44180167 -1.18672244