Add MISPR readme file

README.md

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+---
+configs:
+- config_name: default
+  data_files: "main/*.parquet"
+license: cc-by-4.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: MISPR
+---
+### Cite this dataset  
+Atwi, R., Bliss, M., Makeev, M., and Rajput, N. N. _MISPR_. ColabFit, 2023. https://doi.org/10.60732/2b830270
+  ### View on the ColabFit Exchange  
+https://materials.colabfit.org/id/DS_rsao7xrpu9ig_0  
+# Dataset  Name  
+MISPR  
+### Description  
+Example dataset for MISPR (Materials Informatics for Structure-Property Relationships) materials science simulation software, with DFT-calculated configuration properties for three different MISPR workflows: nuclear magnetic resonance (NMR) chemical shifts, electrostatic partial charges (ESP) and bond dissociation energies (BDE).  
+<br>Additional details stored in dataset columns prepended with "dataset_".  
+### Dataset authors  
+Rasha Atwi, Matthew Bliss, Maxim Makeev, Nav Nidhi Rajput  
+### Publication  
+https://github.com/rashatwi/mispr-dataset  
+### Original data link 
+https://doi.org/10.1038/s41598-022-20009-w  
+### License  
+CC-BY-4.0  
+### Number of unique molecular configurations  
+503  
+### Number of atoms  
+8996  
+### Elements included  
+C, F, H, O, Si, N, S, Cl, P  
+### Properties included  
+energy, atomic forces, cauchy stress