Upload dataset

README.md

@@ -291,6 +291,8 @@ dataset_info:
       sequence: float64
   - name: energy
     dtype: float64
+  - name: energy_corrected
+    dtype: float64
   - name: magnetic_moments
     sequence: float64
   - name: forces
@@ -298,6 +300,8 @@ dataset_info:
       sequence: float64
   - name: total_magnetization
     dtype: float64
+  - name: charges
+    sequence: float64
   - name: dos_ef
     dtype: float64
   - name: functional
@@ -310,10 +314,10 @@ dataset_info:
     dtype: int32
   splits:
   - name: train
-    num_bytes: 1033417391
-    num_examples: 643184
-  download_size: 184671290
-  dataset_size: 1033417391
+    num_bytes: 1350988476
+    num_examples: 1066602
+  download_size: 322606574
+  dataset_size: 1350988476
 configs:
 - config_name: compatible_pbe
   data_files:

non_compatible/train-00000-of-00003.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:6b944f3dca41ccb7d6587f48c3a75e4b1c6005c6e0d867b3b40ff7fd8b07c334
-size 91327554
+oid sha256:b847b985fae6aba0fd284bc38243d3cef01a127e863a358330859dd2efeca87e
+size 90364035

non_compatible/train-00001-of-00003.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:730064e14d507c298d0bc3c5eff00be112d23f90f54da64fb1816fed134d2948
-size 41100461
+oid sha256:7cfafddc89495f70500bdf0f64b4768e782e69021e977a3b75848d12b829fd5c
+size 94322677

non_compatible/train-00002-of-00003.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:de503e1777301386d13ffe3232d183dcef673593212d84e169cea94b321cd290
-size 52243275
+oid sha256:08fb07af82e1e859b384b43c2d43043344971ff94c9b12a0e67ea31a606f9830
+size 137919862