[ase-users] rotate atoms to minimize the surrounding cuboid volume

[GENG SUN]

Dear ASE users,

Is there a method in ase to rotate the atoms object to minimize the
surrounding vacuum space?
Since the molecule is elongated in one principal axis, I hope I can orient
this axis with the diagonal of the box to minimize the total volume.

Thank you very much in advance.

Best,

Geng
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