LAMMPS data file via write_data, version 7 Feb 2024, timestep = 0, units = lj 1 atoms 1 atom types 1.0745699318262956 0 0 avec 0.5372849659131478 0.9306048590997147 0 bvec 0 0 1.0745699318262956 cvec 0 0 -0.5372849659131478 abc origin Masses 1 1 Atoms # atomic 1 1 0 0 0 0 0 0 Velocities 1 0 0 0