# molSimplify input file generated from CLI input -place_on_slab -unit_cell slab.xyz -cell_vector [[11.973, 0, 0], [0, 11.973000000000001, 0], [0, 0, 27.982]] -target_molecule mno5.xyz -align_method alignpair -num_surface_atoms 4 -surface_atom_type Pd -object_align 2,3,4,5 -align_dist 2.0