LAMMPS data with labels (Moon-ki Choi/Ilia Nikiforov) 4 atoms 0 bonds 0 angles 0 dihedrals 1 atom types 0 bond types 0 angle types 0 dihedral types -2.542000000000000e+00 2.542000000000000e+00 xlo xhi -2.542000000000000e+00 2.542000000000000e+00 ylo yhi -2.542000000000000e+00 2.542000000000000e+00 zlo zhi Atom Type Labels 1 ITH Atoms 1 1 1 0.000000000000000e+00 -2.542000010000000e+00 -2.542000000000000e+00 -2.542000000000000e+00 0 0 0 2 2 1 0.000000000000000e+00 -2.542000010000000e+00 0.000000000000000e+00 0.000000000000000e+00 0 0 0 3 3 1 0.000000000000000e+00 -1.000000000000000e-08 -2.542000000000000e+00 0.000000000000000e+00 0 0 0 4 4 1 0.000000000000000e+00 -1.000000000000000e-08 0.000000000000000e+00 -2.542000000000000e+00 0 0 0