Hi Birsen, welcome to the community.
I am not a docker user, but I am using openmc from WSL Windows and compiling it from the source. I think there are some tutorials on YouTube, one from Copenhagen Atomics that give a glimpse into how to use Docker on WSL and do neutronic calculations from it.
If you have successfully set the openmc environment, you can check your openmc version by using this command from the Linux terminal.
openmc --version
Next, you need to check the nuclear data library has been set on your system, try
echo $OPENMC_CROSS_SECTIONS
It will show you the default path for openmc nuclear data library that exists on your system, similar to the path for your xsdir file.
If you have none of it, you might want to check whether the docker you use already has a nuclear data library or not. This is the official nuclear data library for openmc https://openmc.org/official-data-libraries/
you can also add the nuclear data path to your .profile file from your $HOME if needed
export OPENMC_CROSS_SECTIONS=/path to your nuclear data/cross_sections.xml
Also, if you check the source code of openmc from git
you can see that there is an examples folder with various examples. If you check those Python scripts, try the jezebel, I think you will understand the workflow. You can run this script with python3 filename.py
it will generate the material.xml, geometry.xml, settings.xml, and other xml files that are needed by openmc to run. You can start openmc by typing openmc (enter),
it will read the xml files, or if the python script has the openmc.run() line input, it will automatically run openmc after the xml file generated.
If you want a more interactive workflow, you can use the jupyter notebook to check each part of the input Python script. This git repo has many useful example notebooks for you to try. I think it will be easier for you to understand because you have a background in MCNP.
Regarding how you use jupyter notebook from Docker in WSL, I think you can search it on the net. Or maybe other docker users in our forum will catch you later.