Is it possible to add an indidual atom to a lattice


I am looking to add a few individual H atoms to a lattice of iron. I create my simulation box with my lattice paramater, add Fe atoms to this box, and then I am just adding a single atom of hydrogen at a specific coordinate. However the values with stress strain are not making sense. I am using a reaxff forcefield for Fe/H. Is the error in my code or is just not possible?

------------------------ INITIALIZATION ----------------------------

units metal
dimension 3
boundary p p p
atom_style full
variable latparam equal 2.85

----------------------- ATOM DEFINITION ----------------------------

lattice bcc {latparam} region whole block 0 10 0 10 0 10 create_box 2 whole lattice bcc {latparam} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 2 region whole
create_atoms 1 single 0 0 1.1

mass 1 1.01
mass 2 55.85

------------------------ FORCE FIELDS ------------------------------

#pair_style eam/alloy
#pair_coeff * * Al99.eam.alloy Al

pair_style reax/c NULL checkqeq no
pair_coeff * * ffield.reax.Fe_O_C_H H Fe

One immediate error in your input script is that ReaxFF uses real units.