LAMMPS data file via write_data, version 8 Jul 2013-ICMS, timestep = 100 1280 atoms 5 atom types 128 bonds 1 bond types -1.0320000000000000e+01 1.0320000000000000e+01 xlo xhi -1.7931646038000000e+01 1.7931646038000000e+01 ylo yhi -9.1966146809999998e+00 9.1966146809999998e+00 zlo zhi 2.2533867499999999e-01 -3.3938777480000000e+00 -3.6365652300000001e-01 xy xz yz Masses 1 26.9815 2 28.0855 3 15.9994 4 15.9994 5 1.00797 Pair Coeffs 1 1.3297e-06 4.27132 2 1.8402e-06 3.30196 3 0.155416 3.16552 4 0.155416 3.16552 5 0 0 Bond Coeffs 1 553.935 1 Atoms 1 1 1 1.5750000000000000e+00 2.9181843045640097e+00 1.3940498960847059e+00 9.2340967653878891e-03 0 0 0 2 1 2 2.1000000000000001e+00 3.7073513941069294e+00 8.7577386345739576e+00 2.7737258238835487e+00 0 0 0 3 1 2 2.1000000000000001e+00 3.7295387542643610e+00 2.7514817922552126e+00 2.7754883709415132e+00 0 0 0 4 1 3 -1.0500000000000000e+00 3.5099247198465129e+00 -1.2549820598252026e-01 1.1455245288613796e+00 0 0 0 5 1 3 -1.0500000000000000e+00 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