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README.md

@@ -101,6 +101,8 @@ dataset_info:
       sequence: float64
   - name: energy
     dtype: float64
+  - name: energy_corrected
+    dtype: float64
   - name: magnetic_moments
     sequence: float64
   - name: forces
@@ -108,6 +110,8 @@ dataset_info:
       sequence: float64
   - name: total_magnetization
     dtype: float64
+  - name: charges
+    sequence: float64
   - name: dos_ef
     dtype: float64
   - name: functional
@@ -120,10 +124,10 @@ dataset_info:
     dtype: int32
   splits:
   - name: train
-    num_bytes: 658827798
-    num_examples: 448877
-  download_size: 224122327
-  dataset_size: 658827798
+    num_bytes: 383074009
+    num_examples: 281160
+  download_size: 112408712
+  dataset_size: 383074009
 - config_name: compatible_r2scan
   features:
   - name: elements

compatible_pbesol/{train-00000-of-00002.parquet → train-00000-of-00001.parquet}

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:1ff77fc5a7999df32f1fadc9e6d1698fc686681708c193de5a27853d75d6b971
-size 81654482
+oid sha256:44731cb55d25073971ddffb265ccb4d5ef5ae2ba51bbd4ad174487f0f124b2d2
+size 112408712

compatible_pbesol/train-00001-of-00002.parquet

@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
-oid sha256:166520056fa41861f5d38151cf6eef3655ae71af46aca000039bdaec94e359ef
-size 142467845