LAMMPS data file via write_data, version 2 Aug 2023, timestep = 3, units = real 4 atoms 1 atom types -1.9141068816069198 1.9141068816069198 xlo xhi -1.9141068816069198 1.9141068816069198 ylo yhi -1.9141068816069198 1.9141068816069198 zlo zhi 7.962980936223191e-17 3.732641407692339e-17 1.2778925870093565e-16 xy xz yz Atom Type Labels 1 IIR Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 192.217 Pair Coeffs # lj/cut 1 9.2 2.48115 Atoms # full 1 1 1 0 1.914106871635005 -1.9141068816069198 -1.9141068816069198 -1 0 0 2 2 1 0 1.914106871635005 -3.1086244689504383e-15 -3.1086244689504383e-15 -1 0 0 3 3 1 0 -9.97190752194399e-09 -1.9141068816069198 -3.1086244689504383e-15 0 0 0 4 4 1 0 -9.97190752194399e-09 -3.1086244689504383e-15 -1.9141068816069198 0 0 0 Velocities 1 2.357180621699741e-18 -9.94503542490246e-19 -9.778892132159116e-19 2 2.4074465197224544e-18 9.743397883254856e-19 9.436939027821907e-19 3 -2.383521885567413e-18 -9.424855879258756e-19 9.67437289708785e-19 4 -2.383521885567413e-18 9.685851888222844e-19 -9.55293725402817e-19