16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-10.329543850189818 stress="0.00010806368254973154 1.7100986444130192e-05 1.3414389322925282e-05 1.7100986444130192e-05 6.715195661545914e-05 -3.4193466228982195e-05 1.3414389322925282e-05 -3.4193466228982195e-05 0.00017572293965066225" free_energy=-10.329543850189818 pbc="F F F" Cu 20.95673305 21.25613651 20.95525223 0.39529021 -0.33055608 0.79785647 Cu 22.39016040 22.47640297 22.24114677 -1.76385240 0.29803474 1.46168176 Cu 23.72736499 21.25278033 21.09200417 0.60868554 -0.28489512 -0.19403735 Cu 25.54191847 22.46970286 22.79489863 -0.84324889 0.55106678 -0.38835664 H 20.93381024 23.73677887 21.01683428 0.32821851 -0.26075208 0.29573800 H 22.77093457 25.28902040 22.23155877 0.82290937 -1.17178928 -1.12158757 Cu 23.73816412 23.72960620 20.88477302 0.20450772 0.84904776 1.72075515 H 25.29447587 25.10572545 22.47654980 0.00000000 0.00000000 0.00000000 Cu 20.75979631 20.99454085 24.05114214 1.50337676 0.66335737 -1.63458110 H 22.81551804 22.61655504 25.33307401 0.94520925 1.86451738 -1.38080574 Cu 23.87728820 21.21848858 23.72950407 -0.55674815 -0.11196260 0.23412146 Cu 25.29998375 22.73232047 25.64379487 -0.39253716 -0.35459590 -1.67305108 H 21.03080538 24.26400619 24.10387195 0.00000000 0.00000000 0.00000000 H 22.53255795 25.05402961 25.46847668 0.00000000 0.00000000 0.00000000 H 23.75668972 23.72120780 23.94747051 -1.26855154 -1.45686953 1.85179352 H 25.12835831 25.13900396 25.42120696 0.01674078 -0.25460346 0.03047311