Name: datasets_for_magnetic_MTP_NatSR2024_verification Extended ID: datasets_for_magnetic_MTP_NatSR2024_verification__Kotykhov-Gubaev-Hodapp-Tantardini-Shapeev-Novikov__DS_wu6xd9i8cf7i_0 Description: This is the verification dataset (see companion training dataset: datasets_for_magnetic_MTP_NatSR2024_training) used in training a magnetic multi-component machine-learning potential for Fe-Al systems. The configurations from the verification set include different levels of magnetic moment perturbation than configurations from the training set. For this reason, the authors refer to this dataset as a "verification set", rather than a "validation set". Authors: Alexey S. Kotykhov Konstantin Gubaev Max Hodapp Christian Tantardini Alexander V. Shapeev Ivan S. Novikov DOI: 10.60732/acd42be9 Calculated Property Types: atomic_forces cauchy_stress energy Elements: Al (28.27%) Fe (71.73%) Methods: DFT-PBE Software: ABINIT Number of Configurations: 210 Number of Atoms: 3,360 Publication Link: https://doi.org/10.1038/s41598-023-46951-x Data Source Link: https://gitlab.com/ivannovikov/datasets_for_magnetic_MTP