#!/bin/sh
$AMSBIN/ams << EOF
Task SinglePoint
System
Atoms
C 0.7332149300 0.0000000000 0.0000000000
C 26.0557850700 3.5850000000 7.1055000000
C 26.0557850700 0.0000000000 0.0000000000
C 0.7332149300 3.5850000000 7.1055000000
C 14.1277149300 3.5850000000 0.0000000000
C 12.6612850700 0.0000000000 7.1055000000
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C 1.4235674600 6.1329312000 0.6983285400
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C 1.4235674600 4.6220688000 7.8038285400
C 14.8180674600 2.5479312000 0.6983285400
C 11.9709325400 1.0370688000 7.8038285400
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C 11.9709325400 6.1329312000 6.4071714600
C 11.9709325400 4.6220688000 13.5126714600
C 14.8180674600 6.1329312000 6.4071714600
C 11.9709325400 2.5479312000 0.6983285400
C 14.8180674600 1.0370688000 7.8038285400
C 0.7174094200 5.0492574000 1.2441730500
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C 0.7174094200 2.1207426000 12.9668269500
C 26.0715905800 1.4642574000 5.8613269500
C 26.0715905800 2.1207426000 12.9668269500
C 0.7174094200 1.4642574000 5.8613269500
C 26.0715905800 5.0492574000 1.2441730500
C 0.7174094200 5.7057426000 8.3496730500
C 14.1119094200 1.4642574000 1.2441730500
C 12.6770905800 2.1207426000 8.3496730500
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C 14.1033369400 0.6405678000 11.7192432600
C 12.6856630600 2.9444322000 4.6137432600
C 12.6856630600 0.6405678000 11.7192432600
C 14.1033369400 2.9444322000 4.6137432600
C 12.6856630600 6.5294322000 2.4917567400
C 14.1033369400 4.2255678000 9.5972567400
C 2.8824964000 6.2057784000 1.0337081400
C 23.9065036000 4.5492216000 8.1392081400
C 2.8824964000 0.9642216000 13.1772918600
C 23.9065036000 2.6207784000 6.0717918600
C 23.9065036000 0.9642216000 13.1772918600
C 2.8824964000 2.6207784000 6.0717918600
C 23.9065036000 6.2057784000 1.0337081400
C 2.8824964000 4.5492216000 8.1392081400
C 16.2769964000 2.6207784000 1.0337081400
C 10.5120036000 0.9642216000 8.1392081400
C 16.2769964000 4.5492216000 13.1772918600
C 10.5120036000 6.2057784000 6.0717918600
C 10.5120036000 4.5492216000 13.1772918600
C 16.2769964000 6.2057784000 6.0717918600
C 10.5120036000 2.6207784000 1.0337081400
C 16.2769964000 0.9642216000 8.1392081400
C 3.8286838800 5.3906211000 0.4094189100
C 22.9603161200 5.3643789000 7.5149189100
C 3.8286838800 1.7793789000 13.8015810900
C 22.9603161200 1.8056211000 6.6960810900
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C 3.8286838800 1.8056211000 6.6960810900
C 22.9603161200 5.3906211000 0.4094189100
C 3.8286838800 5.3643789000 7.5149189100
C 17.2231838800 1.8056211000 0.4094189100
C 9.5658161200 1.7793789000 7.5149189100
C 17.2231838800 5.3643789000 13.8015810900
C 9.5658161200 5.3906211000 6.6960810900
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C 17.2231838800 5.3906211000 6.6960810900
C 9.5658161200 1.8056211000 0.4094189100
C 17.2231838800 1.7793789000 7.5149189100
C 5.1432201100 5.3711187000 0.8496756900
C 21.6457798900 5.3838813000 7.9551756900
C 5.1432201100 1.7988813000 13.3613243100
C 21.6457798900 1.7861187000 6.2558243100
C 21.6457798900 1.7988813000 13.3613243100
C 5.1432201100 1.7861187000 6.2558243100
C 21.6457798900 5.3711187000 0.8496756900
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C 18.5377201100 1.7861187000 0.8496756900
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C 8.2512798900 1.7861187000 0.8496756900
C 18.5377201100 1.7988813000 7.9551756900
C 5.5413046500 6.1740870000 1.9110952800
C 21.2476953500 4.5809130000 9.0165952800
C 5.5413046500 0.9959130000 12.2999047200
C 21.2476953500 2.5890870000 5.1944047200
C 21.2476953500 0.9959130000 12.2999047200
C 5.5413046500 2.5890870000 5.1944047200
C 21.2476953500 6.1740870000 1.9110952800
C 5.5413046500 4.5809130000 9.0165952800
C 18.9358046500 2.5890870000 1.9110952800
C 7.8531953500 0.9959130000 9.0165952800
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C 7.8531953500 6.1740870000 5.1944047200
C 7.8531953500 4.5809130000 12.2999047200
C 18.9358046500 6.1740870000 5.1944047200
C 7.8531953500 2.5890870000 1.9110952800
C 18.9358046500 0.9959130000 9.0165952800
C 4.6127979100 6.9900330000 2.5376582700
C 22.1762020900 3.7649670000 9.6431582700
C 4.6127979100 0.1799670000 11.6733417300
C 22.1762020900 3.4050330000 4.5678417300
C 22.1762020900 0.1799670000 11.6733417300
C 4.6127979100 3.4050330000 4.5678417300
C 22.1762020900 6.9900330000 2.5376582700
C 4.6127979100 3.7649670000 9.6431582700
C 18.0072979100 3.4050330000 2.5376582700
C 8.7817020900 0.1799670000 9.6431582700
C 18.0072979100 3.7649670000 11.6733417300
C 8.7817020900 6.9900330000 4.5678417300
C 8.7817020900 3.7649670000 11.6733417300
C 18.0072979100 6.9900330000 4.5678417300
C 8.7817020900 3.4050330000 2.5376582700
C 18.0072979100 0.1799670000 9.6431582700
C 3.2955827800 7.0006446000 2.1055017600
C 23.4934172200 3.7543554000 9.2110017600
C 3.2955827800 0.1693554000 12.1054982400
C 23.4934172200 3.4156446000 4.9999982400
C 23.4934172200 0.1693554000 12.1054982400
C 3.2955827800 3.4156446000 4.9999982400
C 23.4934172200 7.0006446000 2.1055017600
C 3.2955827800 3.7543554000 9.2110017600
C 16.6900827800 3.4156446000 2.1055017600
C 10.0989172200 0.1693554000 9.2110017600
C 16.6900827800 3.7543554000 12.1054982400
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C 10.0989172200 3.4156446000 2.1055017600
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H 2.3654687000 3.9650100000 1.9284327000
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H 24.4235313000 0.3800100000 5.1770673000
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H 2.3654687000 0.3800100000 5.1770673000
H 24.4235313000 3.9650100000 1.9284327000
H 2.3654687000 6.7899900000 9.0339327000
H 15.7599687000 0.3800100000 1.9284327000
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H 11.0290313000 3.9650100000 5.1770673000
H 11.0290313000 6.7899900000 12.2825673000
H 15.7599687000 3.9650100000 5.1770673000
H 11.0290313000 0.3800100000 1.9284327000
H 15.7599687000 3.2049900000 9.0339327000
H 1.1733582000 2.2298700000 2.9345715000
H 25.6156418000 1.3551300000 10.0400715000
H 1.1733582000 4.9401300000 11.2764285000
H 25.6156418000 5.8148700000 4.1709285000
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H 14.5678582000 5.8148700000 2.9345715000
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H 12.2211418000 5.8148700000 2.9345715000
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H 3.5575792000 4.8254100000 13.8471984000
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H 16.9520792000 1.2404100000 13.8471984000
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H 9.8369208000 5.9295900000 0.3638016000
H 16.9520792000 4.8254100000 7.4693016000
H 9.8369208000 1.2404100000 13.8471984000
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H 5.8051763000 4.7895600000 0.3964869000
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H 19.1996763000 4.7895600000 6.7090131000
H 7.5893237000 1.2045600000 0.3964869000
H 19.1996763000 2.3804400000 7.5019869000
H 6.4641857000 6.1662000000 2.1970206000
H 20.3248143000 4.5888000000 9.3025206000
H 6.4641857000 1.0038000000 12.0139794000
H 20.3248143000 2.5812000000 4.9084794000
H 20.3248143000 1.0038000000 12.0139794000
H 6.4641857000 2.5812000000 4.9084794000
H 20.3248143000 6.1662000000 2.1970206000
H 6.4641857000 4.5888000000 9.3025206000
H 19.8586857000 2.5812000000 2.1970206000
H 6.9303143000 1.0038000000 9.3025206000
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H 6.9303143000 6.1662000000 4.9084794000
H 6.9303143000 4.5888000000 12.0139794000
H 19.8586857000 6.1662000000 4.9084794000
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H 19.8586857000 1.0038000000 9.3025206000
H 4.8889925000 0.3871800000 3.2841621000
H 21.9000075000 3.1978200000 10.3896621000
H 4.8889925000 6.7828200000 10.9268379000
H 21.9000075000 3.9721800000 3.8213379000
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H 4.8889925000 3.9721800000 3.8213379000
H 21.9000075000 0.3871800000 3.2841621000
H 4.8889925000 3.1978200000 10.3896621000
H 18.2834925000 3.9721800000 3.2841621000
H 8.5055075000 6.7828200000 10.3896621000
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H 8.5055075000 0.3871800000 3.8213379000
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H 18.2834925000 0.3871800000 3.8213379000
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H 18.2834925000 6.7828200000 10.3896621000
H 2.6199642000 0.3871800000 2.5636644000
H 24.1690358000 3.1978200000 9.6691644000
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H 24.1690358000 3.9721800000 4.5418356000
H 24.1690358000 6.7828200000 11.6473356000
H 2.6199642000 3.9721800000 4.5418356000
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H 2.6199642000 3.1978200000 9.6691644000
H 16.0144642000 3.9721800000 2.5636644000
H 10.7745358000 6.7828200000 9.6691644000
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H 10.7745358000 0.3871800000 4.5418356000
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H 16.0144642000 6.7828200000 9.6691644000
End
Lattice
26.789 0.0 0.0
0.0 7.17 0.0
0.0 0.0 14.211
End
End
Engine DFTB
Model SCC-DFTB
ResourcesDir DFTB.org/3ob-3-1
Periodic
EffectiveMass
Enabled Yes
KPointCoord 0.0 0.0 0.0
End
BandStructure
Automatic No
DeltaK 0.01
End
BZPath
Path
0.5 0.0 0.0
0.0 0.0 0.0
0.0 0.5 0.0
0.0 0.0 0.0
0.0 0.0 0.5
End
End
End
EndEngine
EOF