Upload dataset

README.md

@@ -124,6 +124,68 @@ dataset_info:
     num_examples: 448877
   download_size: 224122327
   dataset_size: 658827798
+- config_name: compatible_scan
+  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: 293353105
+    num_examples: 189350
+  download_size: 112523608
+  dataset_size: 293353105
 configs:
 - config_name: compatible_pbe
   data_files:
@@ -133,4 +195,8 @@ configs:
   data_files:
   - split: train
     path: compatible_pbesol/train-*
+- config_name: compatible_scan
+  data_files:
+  - split: train
+    path: compatible_scan/train-*
 ---

compatible_scan/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d55f66c85f0c38192fb3abd2c9b4b13deaf6c6695c187dd8da8c8884d63bdbb2
+size 112523608