LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 16 117 atoms 8 atom types 116 bonds 10 bond types 219 angles 19 angle types 311 dihedrals 25 dihedral types 11 impropers 3 improper types -2.5859999660000001e+00 1.2220000267000000e+01 xlo xhi 2.5989999770000001e+00 2.2969999312999999e+01 ylo yhi -2.3459999560000000e+00 3.6015998840000002e+01 zlo zhi Masses 1 12.0112 2 14.0067 3 12.0112 4 15.9994 5 1.00797 6 1.00797 7 15.9994 8 14.0067 Pair Coeffs # lj/cut/coul/cut 1 0.039 3.87541 2 0.167 3.50123 3 0.148 3.61705 4 0.228 2.85978 5 0.038 2.44997 6 0 0 7 0.228 2.85978 8 0.167 3.50123 Bond Coeffs # harmonic 1 322.716 1.526 2 340.618 1.105 3 356.599 1.47 4 377.575 1.46 5 388 1.32 6 483.451 1.026 7 615.322 1.23 8 283.092 1.52 9 540 1.25 10 457.459 1.026 Angle Coeffs # harmonic 1 44.4 110 2 50 109.5 3 39.5 106.4 4 57.3 109.5 5 46.6 110.5 6 50 109.5 7 51.5 109.5 8 111 118 9 35 122 10 37.5 115 11 68 120 12 53.5 114.1 13 68 120 14 46.6 110.5 15 45 109.5 16 68 120 17 145 123 18 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