Dear all, I have created a script to create an FCC (Ni) system using LAMMPS such that 111 direction is along x direction to calculate surface Energy. On visualizing the structures in OVITO, I’m not convinced that it is FCC.
The atoms in boundaries are not FCC and some atoms are missing. I am guessing that it is due to PBC and missing atoms at bottom appears on top. But my guide told me that’s not how it works.
I want to confirm if the way I wrote the script is wrong. and how else can I write the script, to get pure FCC.
I have attached dump file (dump_bulk.dat) and script (input.txt).
Thanks in advance.
PS: Please add Common neighbor analysis modifier to check the type of structures.
dump_bulk.dat (993.6 KB)
input.txt (3.5 KB)