LAMMPS data file via write_data, version 2 Aug 2023, timestep = 59, units = real 4 atoms 1 atom types -2.713442012671969 2.713442012671969 xlo xhi -2.7134420126719685 2.7134420126719685 ylo yhi -2.713442012671969 2.713442012671969 zlo zhi 6.248484916716637e-17 7.64100063837257e-17 -7.604023282671945e-17 xy xz yz Atom Type Labels 1 IYB Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 173.045 Pair Coeffs # lj/cut 1 2.71 3.51192 Atoms # full 1 1 1 0 2.713442002777934 -2.7134420126719685 -2.713442012671969 -1 0 0 2 2 1 0 2.713442002777934 -4.440892098500626e-16 -4.440892098500626e-16 -1 0 0 3 3 1 0 -9.894044694647164e-09 -2.7134420126719685 -4.440892098500626e-16 0 0 0 4 4 1 0 -9.894044694647164e-09 -4.440892098500626e-16 -2.713442012671969 0 0 0 Velocities 1 -4.916429019187072e-19 -2.2506789275318924e-20 -2.7045057258154384e-20 2 -4.913744646258223e-19 2.30059148667768e-20 2.6642401318827024e-20 3 4.915086832722648e-19 -2.402513771319918e-20 2.5165996207960033e-20 4 4.913409099642117e-19 2.4360684329305312e-20 -2.610552673305721e-20