# This paths.dat file was written by Demeter 0.9.26 # Distance fuzz = 0.030 A # The central atom is denoted by this token: @ # Cluster size = 5.00 A, containing 80 atoms # 23 paths were found within 5.000 A # Forward scattering cutoff 20.00 # Angle fuzz = 3.00 degrees # Rmultiplier = 1.00 # Suppressing eta: yes # Ranking criterion = feff -- feff's curved wave amplitude ratio # Post criterion = 3.00 # ---------------------------------------------------------------------- # Abs Z=31 Rmt= 1.031 Rnm= 1.362 # Pot 1 Z=31 Rmt= 1.118 Rnm= 1.357 # Pot 2 Z= 8 Rmt= 0.872 Rnm= 1.092 # Gam_ch=2.129E+00 # Mu=-3.990E+00 kf=2.225E+00 Vint=-2.286E+01 Rs_int= 1.630 # ---------------------------------------------------------------------- # degen Reff scattering path I Rank legs type 0001 4.000 1.858 --- @ O88.1 @ 2 100.00 2 single scattering 0002 12.000 3.375 --- @ O88.1 O259.1 @ 1 13.96 3 other double scattering 0003 6.000 3.415 --- @ Ga50.1 @ 2 35.35 2 single scattering 0004 6.000 3.429 --- @ O40.1 @ 2 33.56 2 single scattering 0005 12.000 3.645 --- @ O88.1 Ga50.1 @ 1 14.53 3 obtuse triangle 0006 4.000 3.716 --- @ O88.1 @ O88.1 @ 0 5.58 4 rattle 0007 12.000 3.716 --- @ O88.1 @ O259.1 @ 0 2.14 4 hinge 0008 6.000 3.875 --- @ O88.1 Ga50.1 O88.1 @ 0 3.29 4 dog-leg 0009 24.000 4.100 --- @ O88.1 O40.1 @ 1 14.26 3 other double scattering 0010 24.000 4.431 --- @ Ga50.1 O72.1 @ 0 6.94 3 other double scattering 0011 12.000 4.433 --- @ O88.1 Ga116.1 @ 0 1.91 3 other double scattering 0012 9.000 4.440 --- @ O414.1 @ 2 24.95 2 single scattering 0013 18.000 4.544 --- @ O88.1 O32.1 @ 2 32.71 3 obtuse triangle 0014 9.000 4.649 --- @ O88.1 O32.1 O88.1 @ 1 13.77 4 dog-leg 0015 12.000 4.663 --- @ O88.1 Ga50.1 O258.1 @ 0 0.59 4 other triple scattering 0016 12.000 4.746 --- @ O259.1 O72.1 @ 0 2.75 3 other double scattering 0017 12.000 4.771 --- @ O88.1 O40.1 O88.1 @ 0 1.87 4 dog-leg 0018 6.000 4.824 --- @ O40.1 O56.1 @ 0 1.51 3 acute triangle 0019 12.000 4.871 --- @ Ga50.1 Ga57.1 @ 0 1.54 3 acute triangle 0020 12.000 4.891 --- @ O88.1 O259.1 O88.1 @ 1 9.04 4 dog-leg 0021 24.000 4.936 --- @ Ga50.1 O16.1 @ 0 4.36 3 other double scattering 0022 6.000 4.946 --- @ O40.1 O72.1 @ 0 1.34 3 acute triangle 0023 24.000 4.968 --- @ O259.1 Ga50.1 @ 0 6.19 3 obtuse triangle