JARVIS to ESSE converter

[timurbazhirov]

Per https://github.com/Exabyte-io/esse/issues/282#issue-2024460390 for more info

[timurbazhirov]

Implemented the ability to parse material structure using JARVIS DB Entry data in https://github.com/Exabyte-io/express/pull/139.

Successful tests run: https://github.com/Exabyte-io/express/actions/runs/7649919161/job/20845144224?pr=139

The usage pattern is:

import json
from express import ExPrESS

with open("./JVASP-677.json") as f:
    jarvis_db_entry = f.read()

kwargs = {
    "structure_string": jarvis_db_entry,
    "structure_format": "jarvis-db-entry"
}

express_ = ExPrESS("structure", **kwargs)
print json.dumps(express_.property("material"), indent=4)

The format for the db entries is taken from https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571 assuming it is format of the array element.

[timurbazhirov]

Done:

• resolved the problem with pymatgen, numpy version(s) for ESSE, Express toolchain
• Added a quick example for the property extraction in https://github.com/Exabyte-io/api-examples/pull/95

[knc6]

• OPTIMADE JARVIS-DFT API: https://jarvis.nist.gov/optimade/jarvisdft/
• OPTIMADE paper: https://arxiv.org/abs/2402.00572

[knc6]

• https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/Making_2D_heterostructures.ipynb