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Tue May 11 17:31:48 CEST 2010


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CELL   14.1600   14.1600   14.1600    90.000    90.000    90.000
C        6    0.0000    0.0490    0.2450
C        6    0.2170    0.0800    0.0940
C        6    0.1840    0.1510    0.0520
RGNR   202

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CELL   7.9900   15.2100    4.4300    90.000    90.000    90.000
Si1     14    0.4165    0.1601    0.0000
Si2     14    0.4263    0.4321    0.5000
Li1      3    0.0000    0.5000    0.0000
Li       3    0.0940    0.1950    0.0000
Li       3    0.7700    0.1550    0.0000
Li       3    0.6550    0.4740    0.0000
Li       3    0.7590    0.4040    0.5000
Li       3    0.9110    0.2450    0.5000
Li       3    0.5940    0.1050    0.5000
RGNR   55

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CELL   8.0800    8.0800    8.0800    90.000    90.000    90.000
Mg      12    0.0000    0.0000    0.0000
Al      13    0.6250    0.6250    0.6250
O        8    0.8630    0.8630    0.8630
RGNR   227

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