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=-7.888223412293762 stress="-0.03027875968863603 0.04685663119526809 0.03487084235803396 0.04685663119526809 -0.021301152771603417 0.04162695656224051 0.03487084235803396 0.04162695656224051 0.430411501832218" free_energy=-7.888223412293762 pbc="T T T" Cu 0.04270730 0.13480683 2.73324064 0.63715252 1.56086177 -1.21440363 Cu 1.62324216 1.74667518 0.11478237 -0.94372463 -0.68961369 2.39100221 H 1.21621014 0.01898074 1.66613401 1.04336715 -1.73719735 -0.84463199 H 0.10869014 1.37889363 1.57165922 -0.73679505 0.86594927 -0.33196659