[CP2K-user] [CP2K:20227] Conversion output file.xyz to cif file with periodic conditions

[K.AK]

Dear cp2k experts,

I simulated the optimization of MOF structure with periodic condition 
boundary.

MOF has a big cell, so I convert conventional cell to primitive cell of MOF.

The optimization by cp2k was successful, but I cannot convert xyz foutput 
file to cif file with periodic conditions. I would like to utilize this 
optimizaed structure to simulated MC method.

How should I convert xyz file to cif file? I would like to know the 
recommended software or python script.

xyz file was attached below.

Best regards, 
K.AK.

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