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=-5.650577801250753 stress="0.21986873744803037 0.019540593406642052 0.05999103852321549 0.019540593406642052 -0.11581321615238138 -0.051602592643748335 0.05999103852321549 -0.051602592643748335 0.12216244317745517" free_energy=-5.650577801250753 pbc="F T T" H 0.29417082 0.28084104 0.01855009 2.04927523 0.56538032 -0.43037714 Cu 1.45887194 1.53691384 2.70677130 -3.02319593 1.88336104 2.15653345 Cu 1.57736569 0.22577322 1.64977756 -1.49626461 -2.16495251 -3.01782750 H 0.09364432 1.66157524 1.53273964 2.47018531 -0.28378885 1.29167120