colabfit/datasets_for_magnetic_MTP_NatSR2024_verification
收藏Hugging Face2025-04-01 更新2025-04-12 收录
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https://hf-mirror.com/datasets/colabfit/datasets_for_magnetic_MTP_NatSR2024_verification
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资源简介：
用于Fe-Al系统磁性多组份机器学习势函数训练的验证数据集，包含了不同磁矩扰动水平的配置。数据集包含336个独特的分子配置，共3696个原子，包括Al和Fe元素，属性包括能量、原子力和柯西应力。
The verification dataset for training a magnetic multi-component machine-learning potential for Fe-Al systems, containing configurations with different levels of magnetic moment perturbation. The dataset includes 336 unique molecular configurations, 3696 atoms, comprising Al and Fe elements, and properties such as energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
