Dump file fails to show element information correctly

Dear Lammps users:
I’m using reaxff to simulate MgO bulk in high tempreture. When I used dump dump_traj all custom 1000 md.lammpstrj id type x y z q element command to output the trajectory, somehow all atoms in the trajectory file turned out to be carbon (which are supposed to be Mg or O).

Here is my input file:

# basic settings
units			real
dimension		3
processors		* * *
boundary		f f f
atom_style		full
read_data		MgO.data

# Outer Wall
fix 			xwalls_out all wall/reflect xlo EDGE xhi EDGE
fix 			ywalls_out all wall/reflect ylo EDGE yhi EDGE
fix 			zwalls_out all wall/reflect zlo EDGE zhi EDGE

# potential
pair_style		reaxff NULL
pair_coeff	 	* * MgO.ff Mg O
fix             q all qeq/reax 1 0.0 10.0 1e-6 reaxff

# md parameters
neighbor		    4 bin
neigh_modify		every 5 delay 0 check yes	
fix		 	        BALANCE all balance 1000 1.2 shift xyz 20 1.2 out balance.log

minimize 		    1.0e-4 1.0e-6 100 1000
velocity 		    all create 2300.0 48459 

# outputs
thermo			1000
thermo_style	custom step atoms temp pe press cpu cpuremain
dump			dump_traj all custom 1000 md.lammpstrj id type x y z q  element

reset_timestep         0
timestep		       0.0005     #0.5fs
timer		           sync

fix			       NVT all nvt temp 2300 2300 10
run			       500000

Many thanks in advance for helping me with my problem!

This is documented behavior. You have to use dump_modify to tell LAMMPS which elements to assign to the (numeric) atom types in a dump file.

Hi Axel,
Thank you for your quick and professional reply, and that’s really helpful!