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=-3.09919777311 stress="-0.014070663105803429 -0.20123604483417099 0.5929383362994359 -0.20123604483417099 1.8276027848548932 -0.3360376644070659 0.5929383362994359 -0.3360376644070659 0.28637676927707184" pbc="F F F" H 0.29169807 0.22871948 -0.05369362 0.77116020 1.62585990 0.92890335 Cu 1.41527060 1.47213456 0.03256099 0.82000470 -2.27080439 -0.38425918 H 1.32929456 -0.21252151 1.39476746 -1.00529521 2.59503454 -1.37269677 Cu -0.00112254 1.51052635 1.16350107 -0.58586969 -1.95009006 0.82805259