##Lennard-Jones particle with periodic boundary condition in a box
#Serial mode:
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units lj
atom_style atomic

dimension 3
boundary p p p
region box block 0 30 0 30 0 30 units box
create_box 1 box

lattice sc 0.1
create_atoms 1 box
mass 1 1.0
velocity all create 1 176217 dist gaussian

pair_style lj/cut 2.5
pair_coeff 1 1 1 1

dump    DUMPXYZ   all     xyz 1 out.xyz

timestep 0.005
fix 1 all nve

thermo_style custom step temp pe ke etotal
thermo 100

run 5000