LAMMPS data with labels (Moon-ki Choi/Ilia Nikiforov) 8 atoms 0 bonds 0 angles 0 dihedrals 2 atom types 0 bond types 0 angle types 0 dihedral types -2.407500000000000e+00 2.407500000000000e+00 xlo xhi -2.407500000000000e+00 2.407500000000000e+00 ylo yhi -2.407500000000000e+00 2.407500000000000e+00 zlo zhi Atom Type Labels 1 OCA1 2 CAO1 Atoms 1 1 2 1.230000000000000e+00 -2.407500010000000e+00 -2.407500000000000e+00 -2.407500000000000e+00 0 0 0 2 1 1 -1.230000000000000e+00 -1.000000000000000e-08 0.000000000000000e+00 0.000000000000000e+00 0 0 0 3 1 1 -1.230000000000000e+00 1.900000000000000e-08 -2.407500000000000e+00 -2.407500000000000e+00 0 0 0 4 1 1 -1.230000000000000e+00 -2.407500010000000e+00 2.900000000000000e-08 -2.407500000000000e+00 0 0 0 5 1 1 -1.230000000000000e+00 -2.407500010000000e+00 -2.407500000000000e+00 2.900000000000000e-08 0 0 0 6 1 2 1.230000000000000e+00 -2.407500010000000e+00 2.900000000000000e-08 2.900000000000000e-08 0 0 0 7 1 2 1.230000000000000e+00 1.900000000000000e-08 -2.407500000000000e+00 2.900000000000000e-08 0 0 0 8 1 2 1.230000000000000e+00 1.900000000000000e-08 2.900000000000000e-08 -2.407500000000000e+00 0 0 0