32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30.9869548381 stress="0.02194079915404289 0.025276609425449098 0.026092762768850676 0.025276609425449098 0.024254983744619443 0.009542120832044263 0.026092762768850676 0.009542120832044263 0.18298060403127234" pbc="F F F" Cu -0.09604453 -0.16773400 -0.26950400 0.60871511 0.74108421 0.81762350 H 1.62036030 1.45631248 0.24843919 0.68006748 -0.75168701 1.58481354 H 1.73552306 -0.02520266 2.02763375 -3.05875108 1.03574238 -1.24195652 Cu 0.25911890 1.69019325 1.69877714 -3.08184735 -2.06904579 -5.28251464 Cu 3.10881314 0.13250256 0.10031152 -2.37821273 0.98978278 2.36748344 Cu 4.55442580 1.35431870 -0.21988289 1.76195747 -0.44445370 0.90690137 H 4.63572127 0.05791531 1.23387496 -1.20323908 1.01742796 -2.63417163 H 3.08501927 1.56603388 1.50693356 1.38722470 -1.14024857 0.68927776 H 0.16501753 3.22580078 -0.07133680 1.91638383 1.85218359 2.32933375 H 1.54146832 4.49955875 0.04313966 -1.05606594 -1.77413138 2.18212373 Cu 1.44832183 3.25980354 1.46667242 3.12727971 -1.96089214 -1.28876536 Cu 0.27143892 4.40295338 1.60338854 -1.50477139 1.28005829 0.36540299 Cu 3.24759167 3.11018303 -0.07481803 -2.52574864 -2.75071511 -0.12506167 Cu 4.24663523 4.48702489 -0.05142115 2.73145743 2.63528176 -1.24812206 H 4.68843096 3.17061300 1.79169807 0.03054722 2.31209920 2.52130214 Cu 2.96863002 4.63123179 1.53851086 -0.18856365 0.49701567 1.87949069 H 0.14982991 -0.25204613 2.66107630 0.40555124 2.18712780 0.10145897 Cu 1.17071629 1.39476746 2.87993804 -0.62892972 -3.25642593 2.80959697 Cu 1.78095696 -0.17535412 4.76008946 -1.11188193 -2.70951295 1.06315194 H -0.12324026 1.32230465 4.54653124 2.20959370 1.51320007 -0.67094424 Cu 2.75346517 -0.26736581 2.77715687 5.16037344 -0.51814208 -0.30898734 H 4.24014891 1.19459270 2.82743118 -2.47290529 -0.54791416 -0.71781004 Cu 4.41809381 -0.24528898 4.57099949 -0.20616056 0.43095762 -0.06869581 Cu 2.72956938 1.33885520 4.53926819 4.36821783 2.74704881 0.15599069 H 0.23010044 3.09566688 3.25122272 0.67096449 0.94884719 -0.19743366 H 1.62033173 4.51829656 3.21182891 1.63555172 0.07971268 1.12591712 Cu 1.29301824 2.63143176 4.57255377 -2.84778776 0.15150108 0.25148620 Cu -0.07058124 4.21380795 4.66911338 -0.15468726 -0.13554608 -1.45194595 H 2.80454100 3.12365747 2.95588739 -0.91341878 0.82069012 -2.00529307 H 4.68510380 4.34681875 2.86894099 -0.03617462 -2.37109174 -2.19009568 H 4.30031837 2.79306500 4.71255952 -0.93290141 -1.01441020 -0.02755673 H 2.86810690 4.58221297 4.25818085 -2.39183819 0.20445566 -1.69200040