units lj
atom_modify map array
lattice bcc 1.0
region simbox block 0 10 0 10 0 10
create_box 2 simbox
create_atoms 1 region simbox
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0
mass 1 58.2 # These are made-up numbers
mass 2 28.3
velocity all create 1200.0 7474848 dist gaussian
fix 1 all nve
fix 2 all dt/reset 1 1E-5 1E-3 0.01 units box
fix 4 all ave/histo 10 5 100 0.5 1.5 50 f_2 file temp.histo ave running
thermo_style custom step dt temp press etotal f_4[1][1]
thermo 100