#! /bin/sh
$AMSBIN/ams << EOF
Task SinglePoint
Properties
StressTensor True
End
System
Atoms
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Cl 4.99858729 7.77406309 8.27058240
Cl 7.93893730 1.53138691 1.69175208
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Cl 4.34728360 4.30524415 9.37061503
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C 3.47434492 15.34553361 1.52014755
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C -0.08592033 14.82957584 7.48853697
C 1.81037030 5.52412584 12.24795396
C 4.75072031 3.78132416 5.66912365
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H -0.66793224 11.65797166 9.64782399
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H 5.33273222 6.95292834 3.50983664
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End
Lattice
10.54550000 0.00000000 0.00000000
0.00000000 18.61090000 0.00000000
-5.88070002 0.00000000 13.15766063
End
End
Engine DFTB
Model DFTB3
ResourcesDir DFTB.org/3ob-3-1
DispersionCorrection D3-BJ
KSpace Quality=GammaOnly
EndEngine
EOF