LAMMPS data file via write_data, version 24 Jan 2020, timestep = 15 499 atoms 2 atom types 0.0000000000000000e+00 2.0223250000000000e+01 xlo xhi 0.0000000000000000e+00 2.0223250000000000e+01 ylo yhi 0.0000000000000000e+00 2.0223250000000000e+01 zlo zhi Masses 1 55.847 2 26.982 Atoms # atomic 1 2 2.0222708923556180e+01 2.4613727507017510e-06 5.4820081660927509e-04 -1 0 0 2 2 2.0223274549686208e+00 2.0228709886451770e+00 5.4819154256094188e-04 0 0 0 3 2 2.0223274583662025e+00 2.4527327250474456e-06 2.0227233248995335e+00 0 0 0 4 2 2.0222256836825562e+01 2.0233230690111217e+00 2.0228282519719967e+00 -1 0 0 5 2 4.0451960383096255e+00 2.4534425195172071e-06 5.4819747091823545e-04 0 0 0 6 2 6.0679254499707573e+00 2.0232790279190143e+00 9.5046339745461764e-04 0 0 0 7 2 6.0680916846037096e+00 2.4411426238937146e-06 2.0227597842008556e+00 0 0 0 8 2 4.0456480952283833e+00 2.0233230525776613e+00 2.0228282402009099e+00 0 0 0 9 2 8.0897348215779914e+00 2.4396665884802550e-06 1.1167049637480987e-03 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