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Make extended XYZ the default output format for .xyz files

username-removed-131198 requested to merge jameskermode/ase:extxyz into master

This MR changes the default writer so that ase.io.write('filename.xyz', atoms) outputs in extended XYZ format, which includes the unit cell, periodic boundary conditions, and other entries in atoms.info in the comment line and entries in atoms.arrays as wadditional columns in the .xyz file.

Here's an example for an 8-atom cubic Si system

8
Lattice="5.44 0.0 0.0 0.0 5.44 0.0 0.0 0.0 5.44" Properties=species:S:1:pos:R:3 Time=0.0
Si        0.00000000      0.00000000      0.00000000
Si        1.36000000      1.36000000      1.36000000
Si        2.72000000      2.72000000      0.00000000
Si        4.08000000      4.08000000      1.36000000
Si        2.72000000      0.00000000      2.72000000
Si        4.08000000      1.36000000      4.08000000
Si        0.00000000      2.72000000      2.72000000
Si        1.36000000      4.08000000      4.08000000

See commit log entry for more details.

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