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=-2.57474587548 stress="0.5543211827838709 -0.10456402800458615 0.0782155786995902 -0.10456402800458615 0.9993407271708737 0.1218582379351128 0.0782155786995902 0.1218582379351128 0.21889650542698222" pbc="F F F" Cu -0.15999292 -0.10098809 -0.08187355 0.67636498 1.87899362 0.64853040 H 1.20122014 1.73212867 -0.23475904 -0.72420972 -0.89775627 0.06078868 Cu 1.26067717 0.17871475 1.69104769 -1.39562423 1.44958436 -0.29739762 H -0.03149010 1.45283623 1.28353165 1.44346897 -2.43082170 -0.41192146