Update to 69,117 materials with r2SCAN, forces, energy, Bader charges (86.2% coverage)

README.md

@@ -12,7 +12,7 @@ dataset_info:
   - name: bawl_hasher
     dtype: string
   - name: elements
-    sequence: string
+    list: string
   - name: nsites
     dtype: int64
   - name: chemical_formula_anonymous
@@ -24,41 +24,41 @@ dataset_info:
   - name: nelements
     dtype: int64
   - name: dimension_types
-    sequence: int64
+    list: int64
   - name: nperiodic_dimensions
     dtype: int64
   - name: lattice_vectors
-    sequence:
-      sequence: float64
+    list:
+      list: float64
   - name: cartesian_site_positions
-    sequence:
-      sequence: float64
+    list:
+      list: float64
   - name: species_at_sites
-    sequence: string
+    list: string
   - name: compressed_charge_density
-    sequence:
-      sequence:
-        sequence: float64
+    list:
+      list:
+        list: float64
   - name: compressed_aeccar0_density
-    sequence:
-      sequence:
-        sequence: float64
+    list:
+      list:
+        list: float64
   - name: compressed_aeccar1_density
-    sequence:
-      sequence:
-        sequence: float64
+    list:
+      list:
+        list: float64
   - name: compressed_aeccar2_density
-    sequence:
-      sequence:
-        sequence: float64
+    list:
+      list:
+        list: float64
   - name: bader_charges
-    sequence: float64
+    list: float64
   - name: bader_atomic_volume
-    sequence: float64
+    list: float64
   splits:
   - name: train
-    num_bytes: 281498864
-    num_examples: 16
-  download_size: 111133544
-  dataset_size: 281498864
+    num_bytes: 17496189623
+    num_examples: 69117
+  download_size: 9385266248
+  dataset_size: 17496189623
 ---

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