#! /bin/sh
$AMSBIN/ams << eor
Task SinglePoint
System
Atoms
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End
Lattice
43.42236000 0.0 0.0
0.0 37.60486000 0.0
7.18482000 4.14816000 20.66544000
End
End
Engine DFTB
Model SCC-DFTB
ResourcesDir DFTB.org/matsci-0-3
EndEngine
eor