Altered code generation prompt

app.py

@@ -44,8 +44,8 @@ Generate a complete and runnable Python script using ASE to perform this task.
 The script MUST:
 1.  Include all necessary import statements (e.g., `import ase`, `from ase.build import molecule`, `from ase.calculators.emt import EMT`, `from ase.optimize import BFGS`, etc.). Do not assume any modules are pre-imported.
 2.  Define the atomic structure.
-3.  Set up an appropriate ASE calculator. If the user doesn't specify, you can use `ase.calculators.emt.EMT()` for simplicity, but acknowledge if a more advanced calculator would be better for real research.
-4.  Perform the simulation as requested (e.g., geometry optimization, molecular dynamics, single point energy calculation).
+3.  Set up an appropriate ASE calculator. 
+4.  Perform the simulation as requested (e.g., geometry optimization, molecular dynamics, single point energy calculation). If non is specified perform an appropriate simulation. 
 5.  Ensure the final ASE `Atoms` object, representing the result of the simulation (e.g., optimized structure), is assigned to a variable named `atoms_object`. This is crucial for visualization.
 6.  Optionally, print any relevant information or results from the simulation to standard output (e.g., final energy, bond lengths, status messages).