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 -1.945000000000000e+00 1.945000000000000e+00 xlo xhi -1.945000000000000e+00 1.945000000000000e+00 ylo yhi -1.945000000000000e+00 1.945000000000000e+00 zlo zhi Atom Type Labels 1 Pd Atoms 1 1 1 0.000000000000000e+00 -1.945000010000000e+00 -1.945000000000000e+00 -1.945000000000000e+00 0 0 0 2 2 1 0.000000000000000e+00 -1.945000010000000e+00 0.000000000000000e+00 0.000000000000000e+00 0 0 0 3 3 1 0.000000000000000e+00 -1.000000000000000e-08 -1.945000000000000e+00 0.000000000000000e+00 0 0 0 4 4 1 0.000000000000000e+00 -1.000000000000000e-08 0.000000000000000e+00 -1.945000000000000e+00 0 0 0