LAMMPS data file via write_data, version 10 Aug 2015, timestep = 38500 2457 atoms 2 atom types 1638 bonds 1 bond types 819 angles 1 angle types -1.4582042315383489e+01 1.4582042315383489e+01 xlo xhi -1.4582042315383489e+01 1.4582042315383489e+01 ylo yhi -1.4582042315383489e+01 1.4582042315383489e+01 zlo zhi Masses 1 15.9994 2 1.00794 Pair Coeffs # lj/cut/coul/long 1 0.15535 3.166 2 0 0 Bond Coeffs # harmonic 1 1000 1 Angle Coeffs # harmonic 1 100 109.47 Atoms # full 1858 620 1 -8.4760000000000002e-01 -8.7631200508051315e+00 -1.1890761651155714e+01 -1.1861318363412666e+01 0 0 0 1549 517 1 -8.4760000000000002e-01 -9.6787908773843441e+00 -1.1761992472657047e+01 -9.3350164723897180e+00 0 0 0 1551 517 2 4.2380000000000001e-01 -9.3682570917613734e+00 -1.1490760560314667e+01 -1.0245973731537038e+01 0 0 0 1550 517 2 4.2380000000000001e-01 -8.8912531624765627e+00 -1.1839361616248084e+01 -8.7237558414706839e+00 0 0 0 1860 620 2 4.2380000000000001e-01 -9.2792399048804182e+00 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