Update README.md

[UPDATE] Details got an update

README.md

@@ -116,17 +116,14 @@ Evaluating SchNet, PAINN, GemNet, DimeNet++, EquiFormerV2, MACE, NequIP, eSCN, a
 
 ## Data Format
 
-Data is stored in **extended XYZ format** (ASE-readable) with the following per-frame fields:
+Data is stored in **ASE trajectory format** (`.traj`), readable natively with the Atomic Simulation Environment. Each frame contains:
 
 | Field | Description |
 |---|---|
 | `positions` | Atomic coordinates (Å) |
 | `numbers` | Atomic numbers |
-| `energy` | Total PBE energy (eV) |
+| `energy` | Total PBE/def2-TZVP+D3BJ energy (eV) |
 | `forces` | Per-atom force vectors (eV/Å) |
-| `molecule_id` | Source molecule identifier |
-| `snapshot_id` | Snapshot index within trajectory |
-| `split` | `train` / `val` / `id_test` / `ood_test` |
 
 Pre-computed split files for all four tasks are included so that reproducing the evaluation protocol does not require re-running any upstream generation stages.
 
@@ -147,11 +144,11 @@ snapshot_download(
 
 ```python
 # Using ASE to read individual trajectory files
-from ase.io import read
+from ase.io.trajectory import Trajectory
 
-frames = read("path/to/molecule.xyz", index=":")
-energies = [f.get_potential_energy() for f in frames]
-forces   = [f.get_forces() for f in frames]
+traj = Trajectory("path/to/molecule.traj")
+energies = [atoms.get_potential_energy() for atoms in traj]
+forces   = [atoms.get_forces() for atoms in traj]
 ```
 
 ---
@@ -185,7 +182,7 @@ The four task templates are defined over abstract fragment sets and reusable wit
 
 ## Citation
 
-If you use GMD-26 in your research, please cite (This will be updated uppon acceptance):
+If you use GMD-26 in your research, please cite:
 
 ```bibtex
 @inproceedings{nourollah2026gmd26,
@@ -197,6 +194,8 @@ If you use GMD-26 in your research, please cite (This will be updated uppon acce
 }
 ```
 
+> **Note:** The paper is currently under review. If accepted, the citation will be updated with the final publication details.
+
 ---
 
 ## Licence