4 Lattice="2.5568978939492797 0.0 0.0 1.2784489469746398 2.2143385310430053 0.0 0.0 0.0 14.1753958892863" Properties=species:S:1:pos:R:3:tags:I:1:forces:R:3:magmoms:R:1 energy=-12.733443057286635 magmom=0.0 pbc="T T F" Cu 1.27844895 0.73811284 4.99999956 3 0.00000000 0.00000000 -0.08396234 0.00000000 Cu 0.00000000 1.47622569 7.08769794 2 0.00000000 0.00000000 -0.05250696 0.00000000 Cu 0.00000000 0.00000000 9.17539633 1 0.00000000 0.00000000 0.15046669 0.00000000 H 0.00000000 0.00000000 10.68520329 0 0.00000000 0.00000000 -0.01389901 0.00000000