POSCAR

This file contains a crystal structure. The format follows the VASP POSCAR. But some features are missing. The first line is for comment. This works for nothing. The second line gives ratio which scales isotropically. The third, fourth and fifth lines are cell axes, $ \mathbf{a_1}$, $ \mathbf{a_2}$, $ \mathbf{a_3}$, respectively. The values in the sixth line give distinguishable numbers of atoms. The seventh line must start with the character ``D'' and does nothing. The lines below the eighth line give the atomic positions which are described in reduced coordinates. The order must be followed by the sixth line.
example
	NaCl unitcell
	   1.0
	  5.6903014761756712  0.0000000000000000  0.0000000000000000
	  0.0000000000000000  5.6903014761756712  0.0000000000000000
	  0.0000000000000000  0.0000000000000000  5.6903014761756712
	   4   4
	Direct
	  0.0000000000000000  0.0000000000000000  0.0000000000000000
	  0.0000000000000000  0.5000000000000000  0.5000000000000000
	  0.5000000000000000  0.0000000000000000  0.5000000000000000
	  0.5000000000000000  0.5000000000000000  0.0000000000000000
	  0.5000000000000000  0.5000000000000000  0.5000000000000000
	  0.5000000000000000  0.0000000000000000  0.0000000000000000
	  0.0000000000000000  0.5000000000000000  0.0000000000000000
	  0.0000000000000000  0.0000000000000000  0.5000000000000000


togo 2009-02-12
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