package intel 1 mode double dimension 3 units lj boundary p p p atom_style hybrid atomic ellipsoid pair_style lj/cut/intel 3.0 read_data data.txt pair_coeff * * 0.1 1.0 timestep 0.00001 dump 1 all custom 100000 ovito.trj id type xu yu zu dump_modify 1 sort id thermo_style custom step temp epair thermo 100 #Run fix 1 all nve fix 2 all langevin 1.0 1.0 1000 7231 run 1000000000 write_data *.data