LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 60 8 atoms 2 atom types 7 bonds 2 bond types 12 angles 2 angle types 9 dihedrals 1 dihedral types -5.0000000000000000e+00 5.0000000000000000e+00 xlo xhi -5.0000000000000000e+00 5.0000000000000000e+00 ylo yhi -5.0000000000000000e+00 5.0000000000000000e+00 zlo zhi Masses 1 12.0112 2 1.00797 Pair Coeffs # lj/cut/coul/cut 1 0.066 3.5 2 0.0300003 2.5 Bond Coeffs # harmonic 1 268 1.529 2 340 1.09 Angle Coeffs # harmonic 1 37.5 110.7 2 33 107.8 Dihedral Coeffs # opls 1 0 0 0.318 0 Atoms # full 1 1 1 -1.7999999999999999e-01 4.4520961794662339e+00 -4.8331316055118139e+00 4.9921953697666774e+00 0 1 -1 2 1 1 -1.7999999999999999e-01 -4.0208267456132498e+00 -4.9408970766661060e+00 -4.9962668603193716e+00 1 1 0 3 1 2 5.9999999999999998e-02 4.1241637410618237e+00 -3.9187715229527775e+00 4.4953501727331462e+00 0 1 -1 4 1 2 5.9999999999999998e-02 3.9927847754165149e+00 4.3246628372301563e+00 4.4708516600772406e+00 0 0 -1 5 1 2 5.9999999999999998e-02 4.0591846610420355e+00 -4.8176278098672096e+00 -3.9904372631272924e+00 0 1 0 6 1 2 5.9999999999999998e-02 -3.5762405194770461e+00 -4.0716394256255244e+00 -4.5137080084717223e+00 1 1 0 7 1 2 5.9999999999999998e-02 -3.6936651570105905e+00 4.1740778258698201e+00 -4.4511582014826949e+00 1 0 0 8 1 2 5.9999999999999998e-02 -3.6211369348857190e+00 4.9967667775234554e+00 3.9920131308240276e+00 1 0 -1 Velocities 1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 3 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 4 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 5 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 6 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 7 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 8 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 Bonds 1 1 1 2 2 2 1 3 3 2 1 4 4 2 1 5 5 2 2 6 6 2 2 7 7 2 2 8 Angles 1 1 2 1 3 2 1 2 1 4 3 1 2 1 5 4 2 3 1 4 5 2 3 1 5 6 2 4 1 5 7 1 1 2 6 8 1 1 2 7 9 1 1 2 8 10 2 6 2 7 11 2 6 2 8 12 2 7 2 8 Dihedrals 1 1 3 1 2 6 2 1 3 1 2 7 3 1 3 1 2 8 4 1 4 1 2 6 5 1 4 1 2 7 6 1 4 1 2 8 7 1 5 1 2 6 8 1 5 1 2 7 9 1 5 1 2 8