Upload dataset

README.md

@@ -1,6 +1,6 @@
 ---
 dataset_info:
-  config_name: pbe
+- config_name: pbe
   features:
   - name: elements
     sequence: string
@@ -65,6 +65,71 @@ dataset_info:
     num_examples: 686053
   download_size: 5676892496
   dataset_size: 12591726207.479053
+- config_name: pbesol
+  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: energy_corrected
+    dtype: float64
+  - name: forces
+    sequence:
+      sequence: float64
+  - name: functional
+    dtype: string
+  - name: cross_compatibility
+    dtype: bool
+  - name: space_group_it_number
+    dtype: int32
+  - name: id
+    dtype: string
+  - name: relaxation_step
+    dtype: int32
+  - name: relaxation_number
+    dtype: int32
+  splits:
+  - name: train
+    num_bytes: 12381814125.230179
+    num_examples: 6128578
+  - name: test
+    num_bytes: 1244984302.9361734
+    num_examples: 616225
+  download_size: 5791162538
+  dataset_size: 13626798428.166351
 configs:
 - config_name: pbe
   data_files:
@@ -72,4 +137,10 @@ configs:
     path: pbe/train-*
   - split: test
     path: pbe/test-*
+- config_name: pbesol
+  data_files:
+  - split: train
+    path: pbesol/train-*
+  - split: test
+    path: pbesol/test-*
 ---

pbesol/test-00000-of-00003.parquet

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