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=-2.80686341342 stress="1.5706816132652979 -0.05514502368554247 -0.09857688171834594 -0.05514502368554247 0.8541507059757972 -0.13203239375567438 -0.09857688171834594 -0.13203239375567438 0.7108099339927068" pbc="F F F" Cu 0.17379638 -0.09588942 -0.04257843 1.91816009 1.03675152 0.44439083 H 1.37252202 1.53320948 -0.05942796 -2.16575172 -1.34804749 1.34288433 H 1.70040666 0.05646809 1.53502127 -2.38770644 1.19997046 -0.80002344 Cu 0.16980798 1.46427615 1.52184289 2.63529807 -0.88867449 -0.98725171