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=-9.709874582123554 stress="0.00011998056126688534 4.048744372588133e-05 3.330316955496069e-05 4.048744372588133e-05 9.060045897226923e-05 2.9237304558075853e-05 3.330316955496069e-05 2.9237304558075853e-05 0.00019010553390205309" free_energy=-9.709874582123554 pbc="F F F" Cu 21.04411894 21.27093457 20.78902040 -0.46944533 0.19761205 0.06051422 Cu 22.23155877 22.42113482 22.15021617 3.20206641 0.78856411 -0.00163323 H 23.80837883 21.32096841 20.88902711 -0.35369620 0.27582276 0.31886607 Cu 25.40855725 22.25979631 22.49454085 -1.67506827 -0.32440824 1.51517778 Cu 21.12757454 24.04997140 20.96055881 -0.27605905 -0.54891312 0.59280387 H 22.41062519 25.37728820 22.78055862 -0.44015157 -0.37643542 0.99951530 H 23.52582765 24.08749751 21.33687859 -0.33897254 -0.47945019 0.26921352 H 25.36826694 25.49820495 22.68017665 0.00000000 0.00000000 0.00000000 Cu 21.24741067 21.10895215 23.68642410 0.90347655 1.25726115 1.21498332 H 22.69318320 22.03273028 25.14813819 -1.24605785 -0.90376331 -1.19092777 H 24.19291102 20.72817044 23.84268038 0.34704225 0.42679655 -0.38967334 Cu 25.57728919 22.35903305 25.67171396 -0.06425424 -0.03489842 -1.33930695 Cu 21.15809073 23.83635312 23.93585131 0.24604807 -0.28625606 -1.45629898 Cu 22.09828661 25.52826565 25.06698634 0.16507178 0.00806815 -0.59323380 H 24.36330630 24.53793743 24.42744121 2.10295401 1.48285451 2.27266994 H 25.34743904 25.23187827 25.49099699 -2.10295401 -1.48285451 -2.27266994