select cast（base64（ase_en crypt）

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select cast（base64（ase_encrypt（count（86，product_no）

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File "frag-smart2.py", line 289, in <module> ase.io.write("01_1/optimized_POSCAR", box.get_ase_atoms()) AttributeError: 'Mushybox' object has no attribute 'get_ase_atoms'

很抱歉，我的上一个回答有误。`Mushybox`对象没有`get_ase_atoms()`方法。您可以使用`to_atoms()`方法将其转换为`Atoms`对象，然后将其写入文件中：

ase.io.write("01_1/optimized_POSCAR", box.to_atoms())

这将输出ASE优化后的结构到名为“optimized_POSCAR”的文件中。如果需要输出其他格式的文件，可以将`optimized_POSCAR`替换为所需格式的文件名，如`optimized.xyz`或`optimized.cif`。