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 -2.084200000000000e+00 2.084200000000000e+00 xlo xhi -2.084200000000000e+00 2.084200000000000e+00 ylo yhi -2.084200000000000e+00 2.084200000000000e+00 zlo zhi Atom Type Labels 1 ONI1 2 NIO1 Atoms 1 1 2 1.100000000000000e+00 -2.084200010000000e+00 -2.084200000000000e+00 -2.084200000000000e+00 0 0 0 2 1 1 -1.100000000000000e+00 -1.000000000000000e-08 0.000000000000000e+00 0.000000000000000e+00 0 0 0 3 1 1 -1.100000000000000e+00 -2.084200010000000e+00 -2.084200000000000e+00 -9.500000000000000e-08 0 0 0 4 1 1 -1.100000000000000e+00 -2.084200010000000e+00 -9.500000000000000e-08 -2.084200000000000e+00 0 0 0 5 1 1 -1.100000000000000e+00 -1.050000000000000e-07 -2.084200000000000e+00 -2.084200000000000e+00 0 0 0 6 1 2 1.100000000000000e+00 -1.050000000000000e-07 -9.500000000000000e-08 -2.084200000000000e+00 0 0 0 7 1 2 1.100000000000000e+00 -1.050000000000000e-07 -2.084200000000000e+00 -9.500000000000000e-08 0 0 0 8 1 2 1.100000000000000e+00 -2.084200010000000e+00 -9.500000000000000e-08 -9.500000000000000e-08 0 0 0