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README.md

@@ -124,6 +124,68 @@ dataset_info:
     num_examples: 448877
   download_size: 224122327
   dataset_size: 658827798
+- config_name: compatible_r2scan
+  features:
+  - name: elements
+    sequence: string
+  - name: nsites
+    dtype: int32
+  - name: chemical_formula_anonymous
+    dtype: string
+  - name: chemical_formula_reduced
+    dtype: string
+  - name: chemical_formula_descriptive
+    dtype: string
+  - name: nelements
+    dtype: int8
+  - name: dimension_types
+    sequence: int8
+  - name: nperiodic_dimensions
+    dtype: int8
+  - name: lattice_vectors
+    sequence:
+      sequence: float64
+  - name: immutable_id
+    dtype: string
+  - name: cartesian_site_positions
+    sequence:
+      sequence: float64
+  - name: species
+    dtype: string
+  - name: species_at_sites
+    sequence: string
+  - name: last_modified
+    dtype: string
+  - name: elements_ratios
+    sequence: float64
+  - name: stress_tensor
+    sequence:
+      sequence: float64
+  - name: energy
+    dtype: float64
+  - name: magnetic_moments
+    sequence: float64
+  - name: forces
+    sequence:
+      sequence: float64
+  - name: total_magnetization
+    dtype: float64
+  - name: dos_ef
+    dtype: float64
+  - name: functional
+    dtype: string
+  - name: cross_compatibility
+    dtype: bool
+  - name: bawl_fingerprint
+    dtype: string
+  - name: space_group_it_number
+    dtype: int32
+  splits:
+  - name: train
+    num_bytes: 97371930
+    num_examples: 47950
+  download_size: 47254191
+  dataset_size: 97371930
 - config_name: compatible_scan
   features:
   - name: elements
@@ -195,6 +257,10 @@ configs:
   data_files:
   - split: train
     path: compatible_pbesol/train-*
+- config_name: compatible_r2scan
+  data_files:
+  - split: train
+    path: compatible_r2scan/train-*
 - config_name: compatible_scan
   data_files:
   - split: train

compatible_r2scan/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:3f726d13cd6c1950d614d39eacb4bc83be502b41743ee2ccee5c9c2aacbe8dfa
+size 47254191