Hi Sneh,
This simulation seems the most suited for Maxwell 3D if you can access it, which should allow you to directly plot mutual and self inductance.
For the difference between the two formulas you've tried -- they are extracting the same quantity, but one will be where short circuits are applied to every port besides port 1 (y-parameters) and one where open circuits are applied to every other port (z-parameters). I would expect them to be roughly the same here, and if you remove Port 2 they should be exactly the same. Note that you can also multiply by 1e9 to get a number in the nano-henries.
You are navigating away from the AIS Discovery experience