LAMMPS data file via write_data, version 15 Apr 2020, timestep = 0 256 atoms 2 atom types 0.0000000000000000e+00 1.3156409920000000e+01 xlo xhi 0.0000000000000000e+00 1.1393785213199999e+01 ylo yhi 0.0000000000000000e+00 2.1227284000000001e+01 zlo zhi -6.5782049599999999e+00 0.0000000000000000e+00 0.0000000000000000e+00 xy xz yz Masses 1 15.999 2 65.39 Atoms # charge 1 2 6.8034273252950428e-01 -1.6445512396323636e-06 1.8989651516999999e+00 2.9081379000000002e-03 0 0 0 2 2 9.5659483553343871e-01 1.6445528845999999e+00 9.4948115160000002e-01 2.6563186379000001e+00 0 0 0 3 1 -9.7910526666323461e-01 -1.6445512396323636e-06 1.8989651516999999e+00 2.0153289565999999e+00 0 0 0 4 1 -9.9256708887980205e-01 1.6445528845999999e+00 9.4948115160000002e-01 4.6687394566000000e+00 0 0 0 5 2 9.8438865552901722e-01 -1.6445512396323636e-06 1.8989651516999999e+00 5.3097291379000007e+00 0 0 0 6 2 1.0550808239780276e+00 1.6445528845999999e+00 9.4948115160000002e-01 7.9631396379000003e+00 0 0 0 7 1 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