Upload dataset

README.md

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+---
+dataset_info:
+  config_name: pbe
+  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: 11466065501.772831
+    num_examples: 6988188
+  - name: test
+    num_bytes: 1125660705.7062225
+    num_examples: 686053
+  download_size: 5676892496
+  dataset_size: 12591726207.479053
+configs:
+- config_name: pbe
+  data_files:
+  - split: train
+    path: pbe/train-*
+  - split: test
+    path: pbe/test-*
+---

pbe/test-00000-of-00003.parquet

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