YBCO-ACE: potential, dataset, and input files
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资源简介：
ACE potential for YBa2Cu3O7 (YBCO), training data and input files. output_potential.yaml: ACE potential in yaml format collected.pckl.gzip: dataset used for the training train_pred.pckl.gzip: training dataset with predictions from the potential test_pred.pckl.gzip: test dataset with predictions from the potential INCAR: INCAR file used for the DFT calculations input.yaml: input file for the training of the ACE potential
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Zenodo创建时间：
2025-10-02
