Dear lammps users
when i tried to find the equilibrium lattice parameter of Al at 300K by writing box dimensions i got the following output why is my lattice parameter not decreasing to 4.05A (it is its original lattice parameter at this temperature)
Input
bulk Al lattice
units metal
atom_style atomic
lattice bcc 5
region box block 0 15 0 15 0 15
boundary p p p
create_box 1 box
create_atoms 1 box
pair_style eam/fs
pair_coeff * * Al_mm.eam.fs Al
thermo_style custom step lx ly lz
fix 1 all nvt 300 300 100
timestep 0.0005
thermo 1000
run 10000
output:
Step Lx Ly Lz
0 75 75 75
1000 75 75 75
2000 75 75 75
3000 75 75 75
4000 75 75 75
5000 75 75 75
6000 75 75 75
7000 75 75 75
8000 75 75 75
9000 75 75 75
10000 75 75 75