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Update input.yaml
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docs/Machine_Learning_Force_Fields/Dataset_Preparation.rst

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@@ -194,7 +194,7 @@ Output Files and Visualization
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- **Generated Structures:**
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The script outputs a `dataset_2000.xyz` file containing:
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The script outputs a `training_dataset.xyz` file containing:
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- 1200 PCA-sampled structures
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- 600 surface-PCA structures
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- 200 randomized structures

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