Hi everyone. I’m new here.
I’m currently trying to convert the structure column obtained from matminer to .xyz file, and I don’t know if there’s a function available. df["structure] looks like below.
And I want to write a file containing texts as follows:
number_of_atoms atom1 x1 y1 z1 atom2 x2 y2 z2 atom3 x3 y3 z3 . . . and so on
Is there a way to do that?
Your help would be greatly appreciated.