Upload folder using huggingface_hub

README.md

@@ -0,0 +1,19 @@
+---
+configs:
+- config_name: default
+license: cc-by-4.0
+tags:
+- generative modeling
+- materials discovery
+- DFT
+pretty_name: carbon_NXL
+---
+### Description  
+The included file of duplicate carbon structures is provided without splits for use in training of minimal “overfitting” testing cases  
+  
+carbon_NXL has been cultivated from carbon-24 (Pickard 2020, doi: 10.24435/materialscloud:2020.0026/v1).  
+  
+carbon_NXL.xyz: 353 carbon structures of duplicates which have different numbers of atoms per unit cell (N=6—16), different cell shapes L, and different translations X of the fractional coordinates.
+
+### License  
+CC-BY-4.0  

carbon_NXL.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:5d7ec5fa01ad3f33ff5ec3fd8c64495d2c7162b0bb132c25ff2783a447a11967
+size 195010