Upload dataset

README.md

@@ -0,0 +1,68 @@
+---
+dataset_info:
+  config_name: unique_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: entalpic_fingerprint
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 7680710235
+    num_examples: 5005017
+  download_size: 2956223586
+  dataset_size: 7680710235
+configs:
+- config_name: unique_pbe
+  data_files:
+  - split: train
+    path: unique_pbe/train-*
+---

unique_pbe/train-00000-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:48d7fcd400cbb4038302602212e67dac661b76edc165be5d0f28f11bd57bf65a
+size 184229348

unique_pbe/train-00001-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:3da056974ec9e98caa571c51f0e2662392dddf162c739dca80db6415eb339589
+size 184295764

unique_pbe/train-00002-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9200e9c8b3eebb6ca9bf5b7f230f5d9f07d5432b30968720426528664a114842
+size 185027531

unique_pbe/train-00003-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:3385e567b928916b593cbe3ba9b71ad75919e0f18646653f87f321d3e3849355
+size 184805206

unique_pbe/train-00004-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:ae9efdb9ca28c4b7d919271eaa2e03461b423cd2d8de154b19322de463d01ef0
+size 185523036

unique_pbe/train-00005-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:818fe64da2c7ded628d482b357dbb4127e221eee83c21847d6463371edeaf1e3
+size 184307572

unique_pbe/train-00006-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d3d33c59cd7de11f145de0a3cd77fa032e44d42e459fc217f3f35d5034ac6d13
+size 184194173

unique_pbe/train-00007-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:c658dba39aabbb56be18a48ee50f6f693dd016641756527f9cc56cdc82162035
+size 185008095

unique_pbe/train-00008-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:c6be3ef4687b9dfaa3438063032ef7bdb2ec4d00cf922bb84821a53abbe7eb4c
+size 184123383

unique_pbe/train-00009-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:38ec2214440c10590780ef707a5ab814eb59bd3c3aee151820e346f324106af6
+size 184792392

unique_pbe/train-00010-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:c217bb5ee231ac3340694008c1e7bcdd0db918170c6a8b407f2f9f27f817f971
+size 184755036

unique_pbe/train-00011-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:494f0efea99a5a78b77b65e18ceee8b1a2d91826732352d1772327edd3d4bfb6
+size 184888333

unique_pbe/train-00012-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e10db458d5a67dae7d8023f727e58223215103392f0cfa11b2e70b32f0e15670
+size 185249131

unique_pbe/train-00013-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:4a8b6ebb368d5dc7039fd5e8a6177ea2900f8558fa82b6e1d62eb10ed2468b21
+size 184579367

unique_pbe/train-00014-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:7381af1182031554ef413c248f1d3fead6fd4f2a61a4947be24fc84e9ebb53ce
+size 185425715

unique_pbe/train-00015-of-00016.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d74ce64dd28b1b39c6fc227c38999894b43f97be6214056bbd6affb170897ac5
+size 185019504