%BLOCK LATTICE_CART 0 2.02475 2.02475 2.02475 0 2.02475 2.02475 2.02475 0 %ENDBLOCK LATTICE_CART %BLOCK POSITIONS_ABS Al 0 0 0 %ENDBLOCK POSITIONS_ABS %block species_pot Al Al_00.usp %endblock species_pot kpoint_mp_grid 12 12 12 symmetry_generate