LAMMPS data file via write_data, version 2 Aug 2023, timestep = 4, units = real 4 atoms 1 atom types -2.6445556062824602 2.6445556062824602 xlo xhi -2.6445556062824602 2.6445556062824602 ylo yhi -2.6445556062824602 2.6445556062824602 zlo zhi -1.3021496944645063e-16 -1.5640265751931583e-16 2.3139596351211687e-17 xy xz yz Atom Type Labels 1 IAC Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 227 Pair Coeffs # lj/cut 1 6.51 3.42372 Atoms # full 1 1 1 0 2.6445555963236673 -2.6445556062824602 -2.6445556062824602 -1 0 0 2 2 1 0 2.6445555963236673 -4.440892098500626e-16 -4.440892098500626e-16 -1 0 0 3 3 1 0 -9.958788016461995e-09 -2.6445556062824602 -4.440892098500626e-16 0 0 0 4 4 1 0 -9.958788016461995e-09 -4.440892098500626e-16 -2.6445556062824602 0 0 0 Velocities 1 4.804787013365066e-19 -4.211606589387554e-20 -5.40231589236958e-20 2 4.870269630242273e-19 5.198961671989191e-20 6.353860168866493e-20 3 -4.838039904748022e-19 -5.197682714628307e-20 4.095221469547205e-20 4 -4.83292407530449e-19 4.3075283914537745e-20 -4.883059203851102e-20