mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-30 15:53:42 +02:00
392 lines
12 KiB
Plaintext
392 lines
12 KiB
Plaintext
HYDROGEN
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S 3
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1 0.135775E+04 0.662272E-03
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2 0.543100E+02 0.301414E-01
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3 0.434480E+01 0.500000E+00
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S 1
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1 0.660491E+00 1.0000000
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S 1
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1 0.136687E+00 1.0000000
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S 1
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1 0.271740E-01 1.0000000
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HELIUM
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S 3
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1 0.412812E+04 0.691643E-03
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2 0.165125E+03 0.312799E-01
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3 0.132100E+02 0.500000E+00
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S 1
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1 0.194344E+01 1.0000000
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S 1
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1 0.354434E+00 1.0000000
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S 1
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1 0.623700E-01 1.0000000
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BORON
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S 4
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1 0.949153E+05 0.901807E-04
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2 0.379661E+04 0.406466E-02
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3 0.303729E+03 0.701586E-01
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4 0.458945E+02 0.500000E+00
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S 1
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1 0.102055E+02 1.0000000
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S 1
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1 0.263484E+01 1.0000000
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S 1
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1 0.193796E+00 1.0000000
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S 1
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1 0.456000E-01 1.0000000
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P 2
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1 0.181374E+02 0.437380E-01
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2 0.279036E+01 0.500000E+00
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P 1
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1 0.541947E+00 1.0000000
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P 1
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1 0.118759E+00 1.0000000
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P 1
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1 0.249400E-01 1.0000000
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CARBON
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S 4
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1 0.139534E+06 0.896135E-04
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2 0.558136E+04 0.404014E-02
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3 0.446509E+03 0.697444E-01
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4 0.674620E+02 0.500000E+00
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S 1
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1 0.150674E+02 1.0000000
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S 1
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1 0.393876E+01 1.0000000
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S 1
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1 0.299915E+00 1.0000000
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S 1
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1 0.697480E-01 1.0000000
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P 2
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1 0.283900E+02 0.422609E-01
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2 0.436769E+01 0.500000E+00
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P 1
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1 0.869817E+00 1.0000000
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P 1
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1 0.188934E+00 1.0000000
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P 1
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1 0.393610E-01 1.0000000
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NITROGEN
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S 4
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1 0.192453E+06 0.892391E-04
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2 0.769812E+04 0.402406E-02
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3 0.615850E+03 0.694692E-01
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4 0.930439E+02 0.500000E+00
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S 1
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1 0.208479E+02 1.0000000
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S 1
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1 0.549589E+01 1.0000000
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S 1
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1 0.426240E+00 1.0000000
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S 1
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1 0.979860E-01 1.0000000
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P 2
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1 0.407418E+02 0.413737E-01
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2 0.626797E+01 0.500000E+00
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P 1
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1 0.126901E+01 1.0000000
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P 1
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1 0.273903E+00 1.0000000
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P 1
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1 0.567090E-01 1.0000000
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OXYGEN
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S 4
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1 0.253789E+06 0.889624E-04
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2 0.101516E+05 0.401221E-02
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3 0.812125E+03 0.692649E-01
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4 0.122693E+03 0.500000E+00
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S 1
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1 0.275608E+02 1.0000000
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S 1
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1 0.731726E+01 1.0000000
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S 1
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1 0.579240E+00 1.0000000
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S 1
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1 0.131650E+00 1.0000000
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P 2
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1 0.534157E+02 0.410447E-01
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2 0.821779E+01 0.500000E+00
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P 1
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1 0.167544E+01 1.0000000
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P 1
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1 0.350672E+00 1.0000000
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P 1
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1 0.704160E-01 1.0000000
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FLUORINE
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S 4
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1 0.323467E+06 0.887559E-04
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2 0.129387E+05 0.400340E-02
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3 0.103509E+04 0.691120E-01
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4 0.156377E+03 0.500000E+00
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S 1
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1 0.351961E+02 1.0000000
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S 1
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1 0.939211E+01 1.0000000
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S 1
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1 0.753418E+00 1.0000000
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S 1
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1 0.169310E+00 1.0000000
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P 2
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1 0.688964E+02 0.406446E-01
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2 0.105994E+02 0.500000E+00
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P 1
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1 0.217334E+01 1.0000000
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P 1
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1 0.448707E+00 1.0000000
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P 1
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1 0.890290E-01 1.0000000
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NEON
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S 4
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1 0.401394E+06 0.886012E-04
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2 0.160557E+05 0.399682E-02
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3 0.128446E+04 0.689966E-01
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4 0.194051E+03 0.500000E+00
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S 1
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1 0.437457E+02 1.0000000
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S 1
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1 0.117195E+02 1.0000000
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S 1
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1 0.947459E+00 1.0000000
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S 1
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1 0.210500E+00 1.0000000
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P 2
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1 0.867619E+02 0.402987E-01
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2 0.133480E+02 0.500000E+00
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P 1
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1 0.275089E+01 1.0000000
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P 1
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1 0.564341E+00 1.0000000
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P 1
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1 0.111200E+00 1.0000000
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ALUMINUM
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S 6
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1 0.205847E+07 0.107743E-04
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2 0.823389E+05 0.480939E-03
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3 0.658711E+04 0.854161E-02
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4 0.990919E+03 0.645919E-01
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5 0.225287E+03 0.279183E+00
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6 0.628659E+02 0.500000E+00
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S 6
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1 0.823389E+05 0.225910E-05
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2 0.658711E+04 -0.765230E-05
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3 0.990919E+03 0.137207E-02
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4 0.225287E+03 0.132223E-01
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5 0.628659E+02 0.181722E+00
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6 0.194320E+02 0.500000E+00
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S 1
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1 0.362074E+01 1.0000000
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S 1
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1 0.122881E+01 1.0000000
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S 1
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1 0.120680E+00 1.0000000
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S 1
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1 0.289800E-01 1.0000000
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P 4
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1 0.470372E+03 0.200190E-02
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2 0.723649E+02 0.334877E-01
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3 0.165426E+02 0.200927E+00
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4 0.482391E+01 0.500000E+00
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P 1
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1 0.143358E+01 1.0000000
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P 1
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1 0.276885E+00 1.0000000
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P 1
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1 0.698563E-01 1.0000000
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P 1
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1 0.167800E-01 1.0000000
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SILICON
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S 6
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1 0.241969E+07 0.106115E-04
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2 0.967877E+05 0.473830E-03
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3 0.774301E+04 0.841185E-02
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4 0.116473E+04 0.637158E-01
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5 0.264821E+03 0.275783E+00
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6 0.739675E+02 0.500000E+00
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S 6
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1 0.967877E+05 0.211590E-05
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2 0.774301E+04 -0.656670E-05
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3 0.116473E+04 0.131430E-02
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4 0.264821E+03 0.130302E-01
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5 0.739675E+02 0.177575E+00
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6 0.229125E+02 0.500000E+00
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S 1
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1 0.437414E+01 1.0000000
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S 1
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1 0.153907E+01 1.0000000
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S 1
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1 0.167749E+00 1.0000000
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S 1
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1 0.427300E-01 1.0000000
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P 4
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1 0.624520E+03 0.175676E-02
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2 0.960800E+02 0.300305E-01
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3 0.221500E+02 0.187537E+00
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4 0.656300E+01 0.500000E+00
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P 1
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1 0.202500E+01 1.0000000
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P 1
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1 0.477800E+00 1.0000000
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P 1
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1 0.128240E+00 1.0000000
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P 1
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1 0.326660E-01 1.0000000
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PHOSPHORUS
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S 6
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1 0.280963E+07 0.104905E-04
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2 0.112385E+06 0.468505E-03
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3 0.899080E+04 0.831582E-02
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4 0.135236E+04 0.630556E-01
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5 0.307498E+03 0.273367E+00
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6 0.859408E+02 0.500000E+00
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S 6
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1 0.112385E+06 -0.202240E-05
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2 0.899080E+04 0.589970E-05
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3 0.135236E+04 -0.127411E-02
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4 0.307498E+03 -0.128669E-01
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5 0.859408E+02 -0.174671E+00
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6 0.266714E+02 -0.500000E+00
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S 1
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1 0.518810E+01 1.0000000
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S 1
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1 0.187780E+01 1.0000000
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S 1
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1 0.220100E+00 1.0000000
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S 1
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1 0.560690E-01 1.0000000
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P 4
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1 0.725670E+03 0.175004E-02
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2 0.111642E+03 0.300354E-01
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3 0.257839E+02 0.188374E+00
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4 0.767250E+01 0.500000E+00
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P 1
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1 0.239958E+01 1.0000000
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P 1
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1 0.549434E+00 1.0000000
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P 1
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1 0.147479E+00 1.0000000
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P 1
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1 0.375690E-01 1.0000000
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SULFUR
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S 6
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1 0.322806E+07 0.104069E-04
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2 0.129122E+06 0.464806E-03
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3 0.103298E+05 0.824996E-02
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4 0.155372E+04 0.625968E-01
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5 0.353302E+03 0.271808E+00
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6 0.988050E+02 0.500000E+00
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S 6
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1 0.129122E+06 0.196660E-05
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2 0.103298E+05 -0.568000E-05
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3 0.155372E+04 0.124804E-02
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4 0.353302E+03 0.127159E-01
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5 0.988050E+02 0.172666E+00
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6 0.307160E+02 0.500000E+00
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S 1
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1 0.606325E+01 1.0000000
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S 1
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1 0.224749E+01 1.0000000
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S 1
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1 0.278535E+00 1.0000000
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S 1
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1 0.707490E-01 1.0000000
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P 4
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1 0.843459E+03 0.172554E-02
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2 0.129763E+03 0.297469E-01
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3 0.300246E+02 0.188043E+00
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4 0.897333E+01 0.500000E+00
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P 1
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1 0.284402E+01 1.0000000
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P 1
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1 0.633607E+00 1.0000000
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P 1
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1 0.169552E+00 1.0000000
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P 1
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1 0.430670E-01 1.0000000
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CHLORINE
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S 6
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1 0.367469E+07 0.103491E-04
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2 0.146988E+06 0.462223E-03
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3 0.117590E+05 0.820493E-02
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4 0.176863E+04 0.622773E-01
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5 0.402188E+03 0.270847E+00
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6 0.112540E+03 0.500000E+00
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S 6
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1 0.146988E+06 0.193780E-05
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2 0.117590E+05 -0.571310E-05
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3 0.176863E+04 0.123196E-02
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4 0.402188E+03 0.125818E-01
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5 0.112540E+03 0.171338E+00
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6 0.350390E+02 0.500000E+00
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S 1
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1 0.699558E+01 1.0000000
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S 1
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1 0.264547E+01 1.0000000
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S 1
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1 0.341568E+00 1.0000000
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S 1
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1 0.865770E-01 1.0000000
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P 4
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1 0.979321E+03 0.169008E-02
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2 0.150665E+03 0.292766E-01
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3 0.349330E+02 0.186847E+00
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4 0.104915E+02 0.500000E+00
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P 1
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1 0.337258E+01 1.0000000
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P 1
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1 0.759889E+00 1.0000000
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P 1
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1 0.202894E+00 1.0000000
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P 1
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1 0.514270E-01 1.0000000
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ARGON
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S 6
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1 0.414912E+07 0.103145E-04
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2 0.165965E+06 0.460572E-03
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3 0.132772E+05 0.817725E-02
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4 0.199692E+04 0.620730E-01
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5 0.454119E+03 0.270380E+00
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6 0.127136E+03 0.500000E+00
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S 6
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1 0.165965E+06 0.196830E-05
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2 0.132772E+05 -0.528390E-05
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3 0.199692E+04 0.122908E-02
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4 0.454119E+03 0.124839E-01
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5 0.127136E+03 0.170609E+00
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6 0.396371E+02 0.500000E+00
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S 1
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1 0.798167E+01 1.0000000
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S 1
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1 0.307062E+01 1.0000000
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S 1
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1 0.409083E+00 1.0000000
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S 1
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1 0.103900E+00 1.0000000
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P 4
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1 0.112602E+04 0.165962E-02
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2 0.173234E+03 0.288673E-01
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3 0.402385E+02 0.185835E+00
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4 0.121389E+02 0.500000E+00
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P 1
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1 0.395271E+01 1.0000000
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P 1
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1 0.906259E+00 1.0000000
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P 1
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1 0.242517E+00 1.0000000
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P 1
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1 0.616000E-01 1.0000000
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