--- dataset_info: features: - name: numbers sequence: int64 - name: positions sequence: sequence: float32 - name: forces sequence: sequence: float32 - name: cell dtype: array2_d: shape: - 3 - 3 dtype: float32 - name: pbc sequence: bool - name: energy dtype: float32 - name: stress dtype: array2_d: shape: - 3 - 3 dtype: float32 - name: e_per_atom_relaxed dtype: float32 - name: mp_id dtype: string - name: energy_per_atom dtype: float32 - name: ef_per_atom_relaxed dtype: float32 - name: corrected_total_energy dtype: float32 - name: ef_per_atom dtype: float32 - name: task_id dtype: string - name: calc_id dtype: int64 - name: ionic_step dtype: int64 - name: filename dtype: string - name: extxyz_id dtype: int64 - name: num_atoms dtype: int64 - name: corrected_total_energy_relaxed dtype: float64 - name: energy_referenced dtype: float64 - name: corrected_total_energy_referenced dtype: float64 - name: corrected_total_energy_relaxed_referenced dtype: float64 - name: composition sequence: int64 splits: - name: train num_bytes: 3837553760 num_examples: 1559916 - name: val num_bytes: 25188392 num_examples: 10206 - name: test num_bytes: 25133402 num_examples: 10273 download_size: 1748143154 dataset_size: 3887875554 configs: - config_name: default data_files: - split: train path: data/train-* - split: val path: data/val-* - split: test path: data/test-* ---