LAMMPS data file via write_data, version 7 Feb 2024, timestep = 0, units = lj 2 atoms 1 atom types 0.9999999999999998 -1 0 avec 0.9999999999999999 0.9999999999999999 0 bvec 0.9999999999999999 0.9999999999999999 1 cvec 0 0 0 abc origin Masses 1 1 Atoms # atomic 1 1 0.2 -1.3877787807814457e-17 0.1 0 0 0 2 1 0.8 -1.1102230246251565e-16 0.3 0 0 0 Velocities 1 0 0 0 2 0 0 0