LAMMPS data with labels (Moon-ki Choi/Ilia Nikiforov) 10 atoms 4 bonds 0 angles 0 dihedrals 3 atom types 1 bond types 0 angle types 0 dihedral types -2.726000000000000e+00 2.726000000000000e+00 xlo xhi -1.574000000000000e+00 1.574000000000000e+00 ylo yhi -2.385000000000000e+00 2.385000000000000e+00 zlo zhi Atom Type Labels 1 IHOP 2 OMG2 3 MGO2 Bond Type Labels 1 OMG2-IHOP Atoms 1 1 3 1.350000000000000e+00 -2.726000010000000e+00 -1.574000000000000e+00 -2.385000000000000e+00 0 0 0 2 1 2 -1.020000000000000e+00 -9.090000100000000e-01 -1.574000000000000e+00 -3.426000000000000e+00 0 0 0 3 1 1 3.450000000000000e-01 -9.090000100000000e-01 -1.574000000000000e+00 -4.395000000000000e+00 0 0 0 4 1 2 -1.020000000000000e+00 -1.817000010000000e+00 0.000000000000000e+00 -1.344000000000000e+00 0 0 0 5 1 1 3.450000000000000e-01 -1.817000010000000e+00 0.000000000000000e+00 -3.750000000000000e-01 0 0 0 6 1 2 -1.020000000000000e+00 9.089999900000000e-01 -1.574000000000000e+00 -1.344000000000000e+00 0 0 0 7 1 1 3.450000000000000e-01 9.089999900000000e-01 -1.574000000000000e+00 -3.750000000000000e-01 0 0 0 8 1 3 1.350000000000000e+00 -1.000000000000000e-08 0.000000000000000e+00 -2.385000000000000e+00 0 0 0 9 1 2 -1.020000000000000e+00 1.816999990000000e+00 0.000000000000000e+00 -3.426000000000000e+00 0 0 0 10 1 1 3.450000000000000e-01 1.816999990000000e+00 0.000000000000000e+00 -4.395000000000000e+00 0 0 0 Bonds 1 1 2 3 2 1 4 5 3 1 6 7 4 1 9 10