lattice command Al2o3_boundary condition

Dear Lammpsers,

Attached you can find a Al2O3 unit cell at 300 k. the simulation correctly works at 300k without any error or warning.
But actually, when I apply periodic boundary conditions in all three directions simulation runs without error but the temperature reports 0 in all the simulation. why?!

I have attached the initial and last figures as well as the simulation movie.

Please let me know where is the problem?initial atomic configuration OR boundary condition?

dimension 3
units metal
boundary s s s
atom_style atomic
read_data Al2O3-corundum.txt
mass 1 27.0
mass 2 16.0
pair_style eam/alloy
pair_coeff * * AlO.eam.alloy Al O
fix 1 all nvt temp 300.0 300.0 0.1
thermo 100
#dump 2 all atom 500 dump.lammpstrj
dump 2 all image 200 image.*.JPG type type adiam 5.0 axes yes 0.8 0.02 zoom 1.0 view 80 -30
run 10000

Best regards,
Bahman

movie.ico

image.0.jpg

image.10000.jpg

Dear Lammpsers,

Attached you can find a Al2O3 unit cell at 300 k. the simulation correctly
works at 300k without any error or warning.
But actually, when I apply periodic boundary conditions in all three
directions simulation runs without error but the temperature reports 0 in
all the simulation. why?!

most likely you are doing something wrong. you will need to debug your
input carefully, e.g. replace the system with that from a simple fcc
LJ solid and see, if the same happens.

I have attached the initial and last figures as well as the simulation
movie.

please stop attaching huge files like movies. remember that you are
e-mailing those needlessly to multiple thousand's of mailing list
subscribers.

in general, it is not *our* job to tell you what you are doing wrong.
but it is *your* job to prove (to yourself and us) that you did
everything right and thus provide convincing arguments, that LAMMPS is
not working the way it is documented. since you are not even providing
the files to reproduce what you did, who should know what your mistake
is?

axel.

It looks like you have duplicate atoms on the edges from the first picture.