### DEFINE SIMULATION BOX GEOMETRY ###
variable density equal 0.8
variable temperature equal 1.2
variable timestep equal 0.002

lattice sc ${density}
region box block 0 15 0 15 0 15
create_box 1 box
create_atoms 1 box

### DEFINE PHYSICAL PROPERTIES OF ATOMS ###
mass 1 1.0
pair_style lj/cut 3.2
pair_coeff 1 1 1.0 1.0
neighbor 2.0 bin

### ASSIGN ATOMIC VELOCITIES ###
velocity all create ${temperature} 12345 dist gaussian rot yes mom yes

### SPECIFY ENSEMBLE ###
timestep ${timestep}

### THERMODYNAMIC OUTPUT CONTROL ###
thermo_style custom step time etotal temp press
thermo 100

### BRING SYSTEM TO REQUIRED STATE ###
variable tdamp equal ${timestep}*100
fix nvt all nvt temp ${temperature} ${temperature} ${tdamp}
run 10000
reset_timestep 0

### RECORD TRAJECTORY ###
dump traj all custom 100 output-1 id x y z
run 30000