1 1.80 3.10 0.254 -0.129 -0.016 -0.828 !the order is change with respect to JCTC paper as here i & j are changed
2 0.58 14.49 0.05 2.27 2.24 1.88 0.528 0.490
4 1.60 3.07 0.398 -0.114 0.070 -1.000
5 0.50 14.55 0.02 2.27 2.24 1.88 0.514 0.515
7 1.20 3.50 0.233 -0.004 -0.337 0.395
8 0.42 14.58 0.20 2.34 1.67 1.40 0.975 0.123
10 0.92 3.54 0.115 -0.274 -0.526 -0.007
11 0.40 14.57 0.78 2.32 1.98 1.66 0.790 0.423