units metal dimension 3 boundary p p f atom_style atomic read_data dd pair_style sw pair_coeff * * GaNAl.sw Ga N Al mass 1 26.9 mass 2 14.01 mass 3 69.72 region r_bottom block INF INF INF INF INF 3.11135 units box group g_bottom region r_bottom region r_middle block INF INF INF INF 4.97 28.0012 units box group g_middle region r_middle region r_deposition block INF INF INF INF 28.0012 50.1 units box group g_deposition region r_deposition region depo block 0.0 45.5 0.0 79.92 28.0012 40.1 fix nve_deposition g_deposition nve fix fix_bottom g_bottom setforce 0.0 0.0 0.0 fix nvt_middle g_middle nvt temp 1000 1000 0.1 fix muro all wall/reflect zhi 60 thermo 500 thermo_modify lost ignore dump depoGaN all atom 2000 dump.depoGaN timestep 0.001 run 60000 group Al type 1 group N type 2 group Ga type 3 minimize 1.0e-4 1.0e-6 1000 10000 fix 6 all deposit 800 2 25 67546 region depo vz -18.73 -18.73 units box fix 7 all deposit 300 1 20 69546 region depo vz -13.74 -13.74 units box #fix 8 all deposit 5000 3 500 70546 region depo vz -8.43 -8.43 units box run 20000 dump dumpfinal all atom 1000 dump.final minimize 1.0e-4 1.0e-6 1000 10000