Upload dataset

README.md

@@ -130,6 +130,71 @@ dataset_info:
     num_examples: 616225
   download_size: 5791162538
   dataset_size: 13626798428.166351
+- config_name: 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: 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: 257641456.82228515
+    num_examples: 119165
+  - name: test
+    num_bytes: 102412289.906919
+    num_examples: 47368
+  download_size: 191945417
+  dataset_size: 360053746.7292042
 configs:
 - config_name: pbe
   data_files:
@@ -143,4 +208,10 @@ configs:
     path: pbesol/train-*
   - split: test
     path: pbesol/test-*
+- config_name: scan
+  data_files:
+  - split: train
+    path: scan/train-*
+  - split: test
+    path: scan/test-*
 ---

scan/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+oid sha256:c2e3e7953211cf9ca832757bf5da6da8bad11561da5d58dfec234145c7e51c84
+size 55458397

scan/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:221bb2b3e338d51ed21bfe36624858485b11af30689334dc127603b5b448bad5
+size 136487020