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  1. README.md +8 -4
  2. compatible_pbesol/{train-00000-of-00037.parquet → train-00000-of-00030.parquet} +2 -2
  3. compatible_pbesol/{train-00001-of-00037.parquet → train-00001-of-00030.parquet} +2 -2
  4. compatible_pbesol/{train-00002-of-00037.parquet → train-00002-of-00030.parquet} +2 -2
  5. compatible_pbesol/{train-00003-of-00037.parquet → train-00003-of-00030.parquet} +2 -2
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  20. compatible_pbesol/train-00011-of-00030.parquet +3 -0
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  29. compatible_pbesol/train-00015-of-00037.parquet +0 -3
  30. compatible_pbesol/train-00016-of-00030.parquet +3 -0
  31. compatible_pbesol/train-00016-of-00037.parquet +0 -3
  32. compatible_pbesol/train-00017-of-00030.parquet +3 -0
  33. compatible_pbesol/train-00017-of-00037.parquet +0 -3
  34. compatible_pbesol/train-00018-of-00030.parquet +3 -0
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  36. compatible_pbesol/train-00019-of-00030.parquet +3 -0
  37. compatible_pbesol/train-00019-of-00037.parquet +0 -3
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README.md CHANGED
@@ -97,6 +97,8 @@ dataset_info:
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  sequence: float64
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  - name: energy
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  dtype: float64
 
 
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  - name: forces
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  sequence:
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  sequence: float64
@@ -104,6 +106,8 @@ dataset_info:
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  dtype: string
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  - name: cross_compatibility
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  dtype: bool
 
 
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  - name: id
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  dtype: string
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  - name: relaxation_step
@@ -112,10 +116,10 @@ dataset_info:
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  dtype: int32
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  splits:
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  - name: train
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- num_bytes: 18416093323
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- download_size: 3623906332
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- dataset_size: 18416093323
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  - config_name: compatible_scan
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  features:
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  - name: elements
 
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  sequence: float64
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  - name: energy
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  dtype: float64
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+ - name: energy_corrected
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  - name: forces
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  sequence:
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  sequence: float64
 
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  dtype: string
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  - name: cross_compatibility
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  - name: id
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  dtype: string
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  - name: relaxation_step
 
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  dtype: int32
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  splits:
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  - name: train
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+ num_bytes: 14654794339
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+ download_size: 6225625403
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+ dataset_size: 14654794339
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  - config_name: compatible_scan
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  features:
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  - name: elements
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