Created by AJB 15 atoms 3 atom types -500.0 500.0 xlo xhi -500.0 500.0 ylo yhi -500.0 500.0 zlo zhi Masses 1 12.01070 # C nuclei mass 2 1.000794 # H nuclei mass 3 1.000000 # electron mass Atoms #id|type|q|spin|eradius|x|y|z| 1 1 6.0 0 0.0 0.0 0.0 0.0 2 2 1.0 0 0.0 1.0 1.0 1.0 3 2 1.0 0 0.0 -1.0 -1.0 1.0 4 2 1.0 0 0.0 1.0 -1.0 -1.0 5 2 1.0 0 0.0 -1.0 1.0 -1.0 6 3 0.0 -1 0.5 0.0 0.0 0.0 7 3 0.0 -1 1.0 1.0 1.0 1.0 8 3 0.0 -1 1.0 -1.0 -1.0 1.0 9 3 0.0 -1 1.0 1.0 -1.0 -1.0 10 3 0.0 -1 1.0 -1.0 1.0 -1.0 11 3 0.0 1 0.5 0.0 0.0 0.0 12 3 0.0 1 1.0 1.0 1.0 1.0 13 3 0.0 1 1.0 -1.0 -1.0 1.0 14 3 0.0 1 1.0 1.0 -1.0 -1.0 15 3 0.0 1 1.0 -1.0 1.0 -1.0