Upload dataset

README.md

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+---
+dataset_info:
+  config_name: compatible_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: 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: 9025855882
+    num_examples: 5721264
+  download_size: 3188685549
+  dataset_size: 9025855882
+configs:
+- config_name: compatible_pbe
+  data_files:
+  - split: train
+    path: compatible_pbe/train-*
+---

compatible_pbe/train-00000-of-00019.parquet

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