LAMMPS data file via write_data, version 2 Aug 2023, timestep = 5, units = real 8 atoms 2 atom types -2.073920381742466 2.073920381742466 xlo xhi -2.0739203817424654 2.0739203817424654 ylo yhi -2.073920381742466 2.073920381742466 zlo zhi 4.104246780592813e-09 4.104246790026982e-09 4.104246453551725e-09 xy xz yz Atom Type Labels 1 ONI1 2 NIO1 Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 15.9994 2 58.71 Pair Coeffs # lj/cut/coul/long 1 0.4 2.95778 2 0.35 1.66598 Atoms # full 1 1 2 1.1 2.07392037999499 2.073920385841422 2.073920381737176 -1 -1 -1 2 1 1 -1.1 -5.8501687938417035e-09 2.048387237607585e-09 -3.740119325357227e-12 0 0 0 3 1 1 -1.1 2.073920377930001 2.073920383776433 -9.450946780731329e-08 -1 -1 0 4 1 1 -1.1 2.073920377930001 -9.040522153114239e-08 2.0739203817243106 -1 0 -1 5 1 1 -1.1 -9.625165553472925e-08 2.073920385828557 2.0739203817243106 0 -1 -1 6 1 2 1.1 -9.83202839144326e-08 -9.042172699480489e-08 2.07392038174174 0 0 -1 7 1 2 1.1 -9.832028480261101e-08 2.0739203837938627 -9.452597327097578e-08 0 -1 0 8 1 2 1.1 2.073920375895305 -9.247385035493494e-08 -9.452597327097578e-08 -1 0 0 Velocities 1 -4.231540373201048e-11 -4.231540263618953e-11 -4.2315402632826906e-11 2 -2.991784431318558e-11 -2.9917836325002755e-11 -2.991782750428658e-11 3 -1.4520622047983178e-10 -1.452062158685987e-10 1.757695129630253e-10 4 -1.4520621932720497e-10 1.7576951108837364e-10 -1.452062176708483e-10 5 1.757695151973285e-10 -1.4520621670403539e-10 -1.4520621759536143e-10 6 4.375829838357055e-11 4.375829761451787e-11 -5.8061101017435374e-12 7 4.375829874752552e-11 -5.8061086031985004e-12 4.375829744124366e-11 8 -5.806106567424275e-12 4.3758297790561306e-11 4.3758297437485427e-11