# Plot of max approximated forces versus the Bond Order, created on Thu Sep 15 16:01:58 2011 # Order Frag.No. Type No Pos0 Pos1 Pos2 Total0 Total1 Total2 1 7 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 4.189300e-03 -2.973736e-03 0.000000e+00 2 6 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -1.069336e-03 -6.432617e-03 0.000000e+00 3 5 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 3.676690e-05 1.179070e-02 0.000000e+00 4 4 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -4.320000e-08 -1.333015e-02 0.000000e+00