Created using cfg2lammps (c) AJB-2009 22 atoms 3 atom types -529.177249 529.177249 xlo xhi -529.177249 529.177249 ylo yhi -529.177249 529.177249 zlo zhi Masses 1 12.011789324618736 2 1.007940 3 0.0005446623093682 Atoms 1 1 6 2 0.173923 -0.000000 -0.000000 0.750495 2 1 6 2 0.173923 0.000000 0.000000 -0.750495 3 2 1 0 0.000000 -1.096376 0.000000 1.167561 4 2 1 0 0.000000 0.548185 0.949487 1.167561 5 2 1 0 0.000000 0.548185 -0.949487 1.167561 6 2 1 0 0.000000 1.096376 -0.000000 -1.167561 7 2 1 0 0.000000 -0.548185 -0.949487 -1.167561 8 2 1 0 0.000000 -0.548185 0.949487 -1.167561 9 3 0 1 0.672944 0.000000 0.000000 -0.000000 10 3 0 -1 0.672944 -0.000000 -0.000000 0.000000 11 3 0 1 0.804498 -0.871444 -0.000000 1.075706 12 3 0 -1 0.804498 -0.871444 0.000000 1.075706 13 3 0 1 0.804498 0.435722 0.754691 1.075706 14 3 0 -1 0.804498 0.435722 0.754691 1.075706 15 3 0 1 0.804498 0.435722 -0.754691 1.075706 16 3 0 -1 0.804498 0.435722 -0.754691 1.075706 17 3 0 1 0.804498 0.871444 0.000000 -1.075706 18 3 0 -1 0.804498 0.871444 -0.000000 -1.075706 19 3 0 1 0.804498 -0.435722 -0.754691 -1.075706 20 3 0 -1 0.804498 -0.435722 -0.754691 -1.075706 21 3 0 1 0.804498 -0.435722 0.754691 -1.075706 22 3 0 -1 0.804498 -0.435722 0.754691 -1.075706