#LAMMPS in.run units metal atom_style spin atom_modify map array boundary f f f atom_modify map array lattice sc 3.0 region box block 0 2 0 1 0 1 create_box 1 box create_atoms 1 box mass 1 55.845 set atom 1 spin 2.0 1.0 0.0 0.0 set atom 2 spin 2.0 0.0 1.0 0.0 pair_style spin/exchange 3.1 pair_coeff * * exchange 3.1 11.254 0.0 1.0 variable Temperature equal 0.0 variable RUN equal 30000 fix 1 all nve/spin lattice frozen fix 2 all langevin/spin ${Temperature} 0.01 12345 compute out_mag all spin compute out_pe all pe variable magx equal c_out_mag[1] variable magy equal c_out_mag[2] variable magz equal c_out_mag[3] variable magnorm equal c_out_mag[4] variable emag equal c_out_mag[5] thermo_style custom step time v_magx v_magy v_magz v_emag pe etotal thermo 10 compute outsp all property/atom spx spy spz sp fmx fmy fmz dump 1 all custom 10 dump.data type x y z c_outsp[1] c_outsp[2] c_outsp[3] fx fy fz timestep 0.0001 run ${RUN}