mirror of
https://github.com/pfloos/quack
synced 2024-06-01 02:45:32 +02:00
1444 lines
49 KiB
Plaintext
1444 lines
49 KiB
Plaintext
HYDROGEN
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S 3
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1 0.122518E+02 0.233371E-01
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2 0.186871E+01 0.159150E+00
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3 0.418208E+00 0.500000E+00
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S 1
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1 0.106100E+00 1.0000000
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S 1
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1 0.265250E-01 1.0000000
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P 1
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1 0.100000E+01 1.0000000
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P 1
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1 0.795750E-01 1.0000000
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HELIUM
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S 3
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1 0.368654E+02 0.273556E-01
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2 0.558021E+01 0.174855E+00
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3 0.119170E+01 0.500000E+00
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S 1
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1 0.268925E+00 1.0000000
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S 1
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1 0.672310E-01 1.0000000
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P 1
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1 0.145000E+01 1.0000000
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P 1
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1 0.201690E+00 1.0000000
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LITHIUM
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S 5
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1 0.266550E+03 0.692856E-02
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2 0.401783E+02 0.510275E-01
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3 0.911212E+01 0.213471E+00
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4 0.245522E+01 0.500000E+00
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5 0.694841E+00 0.458402E+00
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S 2
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1 0.770103E+00 -0.703100E-01
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2 0.778623E-01 0.500000E+00
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S 1
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1 0.284580E-01 1.0000000
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S 1
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1 0.969260E-02 1.0000000
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P 2
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1 0.114709E+01 0.106358E+00
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2 0.213473E+00 0.500000E+00
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P 1
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1 0.477473E-01 1.0000000
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P 1
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1 0.119370E-01 1.0000000
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BERYLLIUM
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S 5
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1 0.513214E+03 0.644549E-02
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2 0.773054E+02 0.477643E-01
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3 0.175526E+02 0.205052E+00
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4 0.479646E+01 0.500000E+00
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5 0.139666E+01 0.472486E+00
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S 2
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1 0.196613E+01 -0.693660E-01
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2 0.176151E+00 0.500000E+00
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S 1
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1 0.577841E-01 1.0000000
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S 1
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1 0.177880E-01 1.0000000
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P 2
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1 0.179454E+01 0.111210E+00
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2 0.341727E+00 0.500000E+00
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P 1
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1 0.758163E-01 1.0000000
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P 1
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1 0.189540E-01 1.0000000
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BORON
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S 5
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1 0.838694E+03 0.619052E-02
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2 0.126282E+03 0.460299E-01
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3 0.286810E+02 0.200656E+00
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4 0.788757E+01 0.500000E+00
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5 0.233465E+01 0.477076E+00
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S 2
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1 0.345968E+01 -0.703405E-01
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2 0.317058E+00 0.500000E+00
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S 1
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1 0.993303E-01 1.0000000
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S 1
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1 0.292840E-01 1.0000000
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P 3
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1 0.584610E+01 0.419175E-01
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2 0.120682E+01 0.217800E+00
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3 0.327997E+00 0.500000E+00
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P 1
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1 0.864963E-01 1.0000000
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P 1
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1 0.216670E-01 1.0000000
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D 1
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1 0.700000E+00 1.0000000
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D 1
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1 0.650020E-01 1.0000000
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CARBON
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S 5
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1 0.124320E+04 0.603366E-02
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2 0.187145E+03 0.449576E-01
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3 0.425126E+02 0.197901E+00
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4 0.117393E+02 0.500000E+00
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5 0.350548E+01 0.480364E+00
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S 2
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1 0.539089E+01 -0.703980E-01
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2 0.493341E+00 0.500000E+00
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S 1
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1 0.149741E+00 1.0000000
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S 1
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1 0.428490E-01 1.0000000
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P 3
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1 0.918056E+01 0.431701E-01
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2 0.193658E+01 0.224999E+00
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3 0.526296E+00 0.500000E+00
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P 1
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1 0.136319E+00 1.0000000
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P 1
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1 0.340800E-01 1.0000000
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D 1
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1 0.800000E+00 1.0000000
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D 1
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1 0.102240E+00 1.0000000
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NITROGEN
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S 5
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1 0.172632E+04 0.593077E-02
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2 0.259827E+03 0.442539E-01
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3 0.590335E+02 0.196096E+00
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4 0.163509E+02 0.500000E+00
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5 0.491084E+01 0.482987E+00
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S 2
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1 0.775894E+01 -0.703356E-01
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2 0.705573E+00 0.500000E+00
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S 1
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1 0.209286E+00 1.0000000
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S 1
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1 0.586020E-01 1.0000000
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P 3
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1 0.131844E+02 0.440747E-01
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2 0.281860E+01 0.230478E+00
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3 0.765571E+00 0.500000E+00
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P 1
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1 0.195949E+00 1.0000000
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P 1
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1 0.489870E-01 1.0000000
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D 1
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1 0.900000E+00 1.0000000
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D 1
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1 0.146960E+00 1.0000000
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OXYGEN
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S 5
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1 0.228864E+04 0.585468E-02
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2 0.344416E+03 0.437333E-01
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3 0.782538E+02 0.194796E+00
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4 0.217195E+02 0.500000E+00
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5 0.655907E+01 0.484614E+00
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S 2
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1 0.104656E+02 -0.713343E-01
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2 0.964351E+00 0.500000E+00
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S 1
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1 0.285127E+00 1.0000000
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S 1
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1 0.795960E-01 1.0000000
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P 3
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1 0.170590E+02 0.474439E-01
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2 0.368999E+01 0.242689E+00
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3 0.992996E+00 0.500000E+00
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P 1
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1 0.244924E+00 1.0000000
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P 1
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1 0.612310E-01 1.0000000
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D 1
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1 0.100000E+01 1.0000000
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D 1
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1 0.183690E+00 1.0000000
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FLUORINE
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S 5
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1 0.293155E+04 0.579504E-02
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2 0.441125E+03 0.433238E-01
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3 0.100232E+03 0.193739E+00
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4 0.278655E+02 0.500000E+00
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5 0.844470E+01 0.486420E+00
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S 2
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1 0.136123E+02 -0.719785E-01
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2 0.126122E+01 0.500000E+00
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S 1
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1 0.370800E+00 1.0000000
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S 1
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1 0.102960E+00 1.0000000
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P 3
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1 0.219305E+02 0.488771E-01
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2 0.478552E+01 0.247830E+00
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3 0.128378E+01 0.500000E+00
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P 1
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1 0.311558E+00 1.0000000
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P 1
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1 0.778890E-01 1.0000000
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D 1
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1 0.110000E+01 1.0000000
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D 1
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1 0.233670E+00 1.0000000
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NEON
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S 5
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1 0.365269E+04 0.575083E-02
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2 0.549598E+03 0.430203E-01
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3 0.124889E+03 0.192958E+00
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4 0.347693E+02 0.500000E+00
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5 0.105643E+02 0.487878E+00
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S 2
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1 0.172034E+02 -0.722200E-01
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2 0.159348E+01 0.500000E+00
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S 1
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1 0.464939E+00 1.0000000
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S 1
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1 0.128180E+00 1.0000000
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P 3
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1 0.275577E+02 0.496379E-01
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2 0.605034E+01 0.250893E+00
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3 0.162110E+01 0.500000E+00
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P 1
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1 0.390181E+00 1.0000000
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P 1
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|
1 0.975450E-01 1.0000000
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D 1
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1 0.120000E+01 1.0000000
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D 1
|
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1 0.292640E+00 1.0000000
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|
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SODIUM
|
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S 7
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1 0.219036E+05 0.796012E-03
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2 0.328624E+04 0.614434E-02
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3 0.748016E+03 0.313507E-01
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4 0.211598E+03 0.119245E+00
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5 0.684819E+02 0.324337E+00
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6 0.242414E+02 0.500000E+00
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7 0.890835E+01 0.277280E+00
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S 3
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1 0.209903E+02 -0.780809E-01
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2 0.200831E+01 0.527383E+00
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3 0.637279E+00 0.500000E+00
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S 1
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1 0.587726E-01 1.0000000
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S 1
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1 0.233057E-01 1.0000000
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S 1
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1 0.856260E-02 1.0000000
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P 6
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1 0.135738E+03 0.702531E-02
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2 0.316045E+02 0.516381E-01
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3 0.968275E+01 0.197591E+00
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4 0.336969E+01 0.421145E+00
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5 0.117061E+01 0.500000E+00
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6 0.376739E+00 0.262788E+00
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P 1
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1 0.750000E-01 1.0000000
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P 1
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1 0.187500E-01 1.0000000
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MAGNESIUM
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S 7
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1 0.264576E+05 0.783649E-03
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2 0.396929E+04 0.604998E-02
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3 0.903446E+03 0.308916E-01
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4 0.255556E+03 0.117807E+00
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5 0.827415E+02 0.322294E+00
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6 0.293478E+02 0.500000E+00
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7 0.108238E+02 0.282422E+00
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S 3
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1 0.251406E+02 -0.786240E-01
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2 0.249250E+01 0.518640E+00
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3 0.844000E+00 0.500000E+00
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S 1
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1 0.999808E-01 1.0000000
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S 1
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1 0.359920E-01 1.0000000
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S 1
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1 0.120870E-01 1.0000000
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P 6
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1 0.177774E+03 0.633379E-02
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2 0.414783E+02 0.474014E-01
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3 0.128188E+02 0.185640E+00
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4 0.451684E+01 0.411458E+00
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5 0.161289E+01 0.500000E+00
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6 0.545656E+00 0.249166E+00
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P 1
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1 0.135000E+00 1.0000000
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P 1
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1 0.337500E-01 1.0000000
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ALUMINUM
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S 7
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1 0.314930E+05 0.772081E-03
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2 0.472479E+04 0.596117E-02
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3 0.107541E+04 0.304560E-01
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4 0.304198E+03 0.116420E+00
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5 0.985259E+02 0.320188E+00
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6 0.350079E+02 0.500000E+00
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7 0.129514E+02 0.287575E+00
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S 3
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1 0.297115E+02 -0.804805E-01
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2 0.302938E+01 0.521165E+00
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3 0.107954E+01 0.500000E+00
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S 1
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1 0.155890E+00 1.0000000
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S 1
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1 0.558575E-01 1.0000000
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S 1
|
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1 0.186760E-01 1.0000000
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P 6
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1 0.249234E+03 0.493890E-02
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2 0.582857E+02 0.379957E-01
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3 0.182788E+02 0.154524E+00
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4 0.657003E+01 0.372030E+00
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5 0.243373E+01 0.500000E+00
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6 0.876458E+00 0.291025E+00
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P 2
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1 0.394856E+00 0.166656E+00
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2 0.143539E+00 0.500000E+00
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P 1
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1 0.462621E-01 1.0000000
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P 1
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1 0.140070E-01 1.0000000
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D 1
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1 0.400000E+00 1.0000000
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D 1
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1 0.420220E-01 1.0000000
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SILICON
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S 7
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1 0.369680E+05 0.762336E-03
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2 0.554596E+04 0.588668E-02
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3 0.126231E+04 0.300904E-01
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4 0.357070E+03 0.115247E+00
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5 0.115686E+03 0.318407E+00
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6 0.411630E+02 0.500000E+00
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7 0.152701E+02 0.291844E+00
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S 3
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1 0.347095E+02 -0.827476E-01
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2 0.361290E+01 0.530946E+00
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3 0.133671E+01 0.500000E+00
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S 1
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1 0.218570E+00 1.0000000
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S 1
|
|
1 0.775716E-01 1.0000000
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|
S 1
|
|
1 0.257060E-01 1.0000000
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|
P 6
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1 0.310339E+03 0.454351E-02
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2 0.727046E+02 0.353002E-01
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3 0.229262E+02 0.146120E+00
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4 0.829551E+01 0.362053E+00
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5 0.311573E+01 0.500000E+00
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6 0.114622E+01 0.289049E+00
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P 2
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1 0.527980E+00 0.201725E+00
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2 0.190994E+00 0.500000E+00
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|
P 1
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|
1 0.633721E-01 1.0000000
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|
P 1
|
|
1 0.197180E-01 1.0000000
|
|
D 1
|
|
1 0.450000E+00 1.0000000
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|
D 1
|
|
1 0.591550E-01 1.0000000
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|
|
PHOSPHORUS
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S 7
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|
1 0.429302E+05 0.752902E-03
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2 0.644049E+04 0.581420E-02
|
|
3 0.146589E+04 0.297346E-01
|
|
4 0.414647E+03 0.114096E+00
|
|
5 0.134362E+03 0.316618E+00
|
|
6 0.478575E+02 0.500000E+00
|
|
7 0.177916E+02 0.295798E+00
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S 3
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|
1 0.401278E+02 -0.851533E-01
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|
2 0.424466E+01 0.544223E+00
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|
3 0.161562E+01 0.500000E+00
|
|
S 1
|
|
1 0.288820E+00 1.0000000
|
|
S 1
|
|
1 0.101289E+00 1.0000000
|
|
S 1
|
|
1 0.331930E-01 1.0000000
|
|
P 6
|
|
1 0.378945E+03 0.422246E-02
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|
2 0.889132E+02 0.330712E-01
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|
3 0.281600E+02 0.139057E+00
|
|
4 0.102445E+02 0.353164E+00
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5 0.389172E+01 0.500000E+00
|
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6 0.145411E+01 0.289954E+00
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P 2
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1 0.690320E+00 0.221541E+00
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|
2 0.251733E+00 0.500000E+00
|
|
P 1
|
|
1 0.843311E-01 1.0000000
|
|
P 1
|
|
1 0.264770E-01 1.0000000
|
|
D 1
|
|
1 0.500000E+00 1.0000000
|
|
D 1
|
|
1 0.794310E-01 1.0000000
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|
|
|
SULFUR
|
|
S 7
|
|
1 0.492994E+05 0.745680E-03
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|
2 0.739584E+04 0.575893E-02
|
|
3 0.168330E+04 0.294637E-01
|
|
4 0.476144E+03 0.113223E+00
|
|
5 0.154329E+03 0.315267E+00
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6 0.550288E+02 0.500000E+00
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|
7 0.205029E+02 0.299093E+00
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S 3
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|
1 0.459596E+02 -0.874744E-01
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|
2 0.492740E+01 0.558303E+00
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|
3 0.191799E+01 0.500000E+00
|
|
S 1
|
|
1 0.368498E+00 1.0000000
|
|
S 1
|
|
1 0.129165E+00 1.0000000
|
|
S 1
|
|
1 0.423090E-01 1.0000000
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|
P 6
|
|
1 0.451662E+03 0.400554E-02
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|
2 0.106098E+03 0.315665E-01
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3 0.336996E+02 0.134441E+00
|
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4 0.123054E+02 0.347659E+00
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5 0.471412E+01 0.500000E+00
|
|
6 0.178105E+01 0.287922E+00
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|
P 2
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|
1 0.872235E+00 0.243521E+00
|
|
2 0.310278E+00 0.500000E+00
|
|
P 1
|
|
1 0.100194E+00 1.0000000
|
|
P 1
|
|
1 0.303920E-01 1.0000000
|
|
D 1
|
|
1 0.550000E+00 1.0000000
|
|
D 1
|
|
1 0.911750E-01 1.0000000
|
|
|
|
CHLORINE
|
|
S 7
|
|
1 0.561295E+05 0.739040E-03
|
|
2 0.842032E+04 0.570820E-02
|
|
3 0.191646E+04 0.292141E-01
|
|
4 0.542099E+03 0.112411E+00
|
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5 0.175740E+03 0.313999E+00
|
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6 0.627191E+02 0.500000E+00
|
|
7 0.234123E+02 0.302077E+00
|
|
S 3
|
|
1 0.522067E+02 -0.897496E-01
|
|
2 0.566022E+01 0.573007E+00
|
|
3 0.224230E+01 0.500000E+00
|
|
S 1
|
|
1 0.456488E+00 1.0000000
|
|
S 1
|
|
1 0.159693E+00 1.0000000
|
|
S 1
|
|
1 0.522120E-01 1.0000000
|
|
P 6
|
|
1 0.533333E+03 0.379695E-02
|
|
2 0.125415E+03 0.300914E-01
|
|
3 0.399394E+02 0.129733E+00
|
|
4 0.146334E+02 0.341517E+00
|
|
5 0.564837E+01 0.500000E+00
|
|
6 0.215360E+01 0.289333E+00
|
|
P 2
|
|
1 0.108810E+01 0.252417E+00
|
|
2 0.387168E+00 0.500000E+00
|
|
P 1
|
|
1 0.123929E+00 1.0000000
|
|
P 1
|
|
1 0.372820E-01 1.0000000
|
|
D 1
|
|
1 0.600000E+00 1.0000000
|
|
D 1
|
|
1 0.111850E+00 1.0000000
|
|
|
|
ARGON
|
|
S 7
|
|
1 0.634098E+05 0.733121E-03
|
|
2 0.951233E+04 0.566292E-02
|
|
3 0.216496E+04 0.289917E-01
|
|
4 0.612389E+03 0.111687E+00
|
|
5 0.198562E+03 0.312856E+00
|
|
6 0.709178E+02 0.500000E+00
|
|
7 0.265171E+02 0.304730E+00
|
|
S 3
|
|
1 0.588706E+02 -0.919772E-01
|
|
2 0.644247E+01 0.588195E+00
|
|
3 0.258785E+01 0.500000E+00
|
|
S 1
|
|
1 0.552744E+00 1.0000000
|
|
S 1
|
|
1 0.192488E+00 1.0000000
|
|
S 1
|
|
1 0.626670E-01 1.0000000
|
|
P 6
|
|
1 0.621842E+03 0.362367E-02
|
|
2 0.146357E+03 0.288584E-01
|
|
3 0.467050E+02 0.125773E+00
|
|
4 0.171619E+02 0.336195E+00
|
|
5 0.666792E+01 0.500000E+00
|
|
6 0.256045E+01 0.291186E+00
|
|
P 2
|
|
1 0.131958E+01 0.259971E+00
|
|
2 0.470543E+00 0.500000E+00
|
|
P 1
|
|
1 0.150307E+00 1.0000000
|
|
P 1
|
|
1 0.451300E-01 1.0000000
|
|
D 1
|
|
1 0.650000E+00 1.0000000
|
|
D 1
|
|
1 0.135390E+00 1.0000000
|
|
|
|
POTASSIUM
|
|
S 6
|
|
1 0.316106E+05 0.192562E-02
|
|
2 0.474706E+04 0.147484E-01
|
|
3 0.108035E+04 0.728859E-01
|
|
4 0.304885E+03 0.250460E+00
|
|
5 0.987814E+02 0.500000E+00
|
|
6 0.337028E+02 0.375726E+00
|
|
S 4
|
|
1 0.654776E+02 -0.841271E-01
|
|
2 0.748464E+01 0.500000E+00
|
|
3 0.320503E+01 0.464317E+00
|
|
4 0.102359E+01 0.509269E-01
|
|
S 2
|
|
1 0.647373E+00 0.500000E+00
|
|
2 0.230414E+00 0.195200E+00
|
|
S 1
|
|
1 0.377435E-01 1.0000000
|
|
S 1
|
|
1 0.142198E-01 1.0000000
|
|
S 1
|
|
1 0.498190E-02 1.0000000
|
|
P 6
|
|
1 0.678654E+03 0.380540E-02
|
|
2 0.159791E+03 0.302753E-01
|
|
3 0.509469E+02 0.131796E+00
|
|
4 0.187202E+02 0.347859E+00
|
|
5 0.729148E+01 0.500000E+00
|
|
6 0.279182E+01 0.266938E+00
|
|
P 3
|
|
1 0.159167E+01 0.268322E+00
|
|
2 0.593741E+00 0.500000E+00
|
|
3 0.206071E+00 0.263890E+00
|
|
P 1
|
|
1 0.496000E-01 1.0000000
|
|
P 1
|
|
1 0.124000E-01 1.0000000
|
|
D 3
|
|
1 0.665202E+01 0.762917E-01
|
|
2 0.161238E+01 0.295364E+00
|
|
3 0.429003E+00 0.500000E+00
|
|
D 1
|
|
1 0.973407E-01 1.0000000
|
|
D 1
|
|
1 0.243350E-01 1.0000000
|
|
|
|
CALCIUM
|
|
S 6
|
|
1 0.352761E+05 0.191287E-02
|
|
2 0.529742E+04 0.146530E-01
|
|
3 0.120560E+04 0.724657E-01
|
|
4 0.340268E+03 0.249552E+00
|
|
5 0.110326E+03 0.500000E+00
|
|
6 0.376890E+02 0.378890E+00
|
|
S 4
|
|
1 0.729140E+02 -0.831772E-01
|
|
2 0.838675E+01 0.500000E+00
|
|
3 0.362879E+01 0.456467E+00
|
|
4 0.113050E+01 0.508069E-01
|
|
S 2
|
|
1 0.777792E+00 0.500000E+00
|
|
2 0.300306E+00 0.198722E+00
|
|
S 1
|
|
1 0.612191E-01 1.0000000
|
|
S 1
|
|
1 0.232795E-01 1.0000000
|
|
S 1
|
|
1 0.822670E-02 1.0000000
|
|
P 6
|
|
1 0.777741E+03 0.365637E-02
|
|
2 0.183241E+03 0.292122E-01
|
|
3 0.585250E+02 0.128332E+00
|
|
4 0.215602E+02 0.343242E+00
|
|
5 0.844731E+01 0.500000E+00
|
|
6 0.326211E+01 0.270477E+00
|
|
P 3
|
|
1 0.189530E+01 0.273762E+00
|
|
2 0.733370E+00 0.500000E+00
|
|
3 0.269575E+00 0.242372E+00
|
|
P 1
|
|
1 0.668000E-01 1.0000000
|
|
P 1
|
|
1 0.167000E-01 1.0000000
|
|
D 3
|
|
1 0.830114E+01 0.737252E-01
|
|
2 0.204947E+01 0.292487E+00
|
|
3 0.561615E+00 0.500000E+00
|
|
D 1
|
|
1 0.132559E+00 1.0000000
|
|
D 1
|
|
1 0.331400E-01 1.0000000
|
|
|
|
SCANDIUM
|
|
S 6
|
|
1 0.391008E+05 0.190352E-02
|
|
2 0.587169E+04 0.145831E-01
|
|
3 0.133627E+04 0.721609E-01
|
|
4 0.377180E+03 0.248917E+00
|
|
5 0.122366E+03 0.500000E+00
|
|
6 0.418515E+02 0.380997E+00
|
|
S 4
|
|
1 0.808214E+02 -0.828031E-01
|
|
2 0.935010E+01 0.500000E+00
|
|
3 0.407874E+01 0.445369E+00
|
|
4 0.129222E+01 0.502650E-01
|
|
S 2
|
|
1 0.906171E+00 0.500000E+00
|
|
2 0.350730E+00 0.202297E+00
|
|
S 1
|
|
1 0.713833E-01 1.0000000
|
|
S 1
|
|
1 0.269153E-01 1.0000000
|
|
S 1
|
|
1 0.943680E-02 1.0000000
|
|
P 6
|
|
1 0.879476E+03 0.356025E-02
|
|
2 0.207316E+03 0.285377E-01
|
|
3 0.662978E+02 0.126274E+00
|
|
4 0.244732E+02 0.340912E+00
|
|
5 0.963232E+01 0.500000E+00
|
|
6 0.374292E+01 0.270831E+00
|
|
P 3
|
|
1 0.220326E+01 0.279092E+00
|
|
2 0.857807E+00 0.500000E+00
|
|
3 0.317049E+00 0.238161E+00
|
|
P 1
|
|
1 0.780000E-01 1.0000000
|
|
P 1
|
|
1 0.195000E-01 1.0000000
|
|
D 5
|
|
1 0.294888E+02 0.152859E-01
|
|
2 0.824425E+01 0.891619E-01
|
|
3 0.272868E+01 0.271144E+00
|
|
4 0.967352E+00 0.449546E+00
|
|
5 0.321267E+00 0.500000E+00
|
|
D 1
|
|
1 0.970742E-01 1.0000000
|
|
D 1
|
|
1 0.276600E-01 1.0000000
|
|
F 1
|
|
1 0.931000E+00 1.0000000
|
|
F 1
|
|
1 0.780000E-01 1.0000000
|
|
|
|
TITANIUM
|
|
S 6
|
|
1 0.431197E+05 0.189519E-02
|
|
2 0.647516E+04 0.145208E-01
|
|
3 0.147359E+04 0.718879E-01
|
|
4 0.415975E+03 0.248351E+00
|
|
5 0.135023E+03 0.500000E+00
|
|
6 0.462318E+02 0.382870E+00
|
|
S 4
|
|
1 0.891483E+02 -0.824262E-01
|
|
2 0.103678E+02 0.500000E+00
|
|
3 0.455330E+01 0.435606E+00
|
|
4 0.146299E+01 0.496620E-01
|
|
S 2
|
|
1 0.104172E+01 0.500000E+00
|
|
2 0.406143E+00 0.207817E+00
|
|
S 1
|
|
1 0.818418E-01 1.0000000
|
|
S 1
|
|
1 0.309436E-01 1.0000000
|
|
S 1
|
|
1 0.108770E-01 1.0000000
|
|
P 6
|
|
1 0.986708E+03 0.348118E-02
|
|
2 0.232698E+03 0.279830E-01
|
|
3 0.744934E+02 0.124608E+00
|
|
4 0.275466E+02 0.339120E+00
|
|
5 0.108846E+02 0.500000E+00
|
|
6 0.425174E+01 0.270949E+00
|
|
P 3
|
|
1 0.252996E+01 0.283265E+00
|
|
2 0.988361E+00 0.500000E+00
|
|
3 0.367093E+00 0.234630E+00
|
|
P 1
|
|
1 0.900000E-01 1.0000000
|
|
P 1
|
|
1 0.225000E-01 1.0000000
|
|
D 5
|
|
1 0.362856E+02 0.151531E-01
|
|
2 0.102249E+02 0.913776E-01
|
|
3 0.343745E+01 0.282425E+00
|
|
4 0.124709E+01 0.472824E+00
|
|
5 0.429726E+00 0.500000E+00
|
|
D 1
|
|
1 0.131858E+00 1.0000000
|
|
D 1
|
|
1 0.381200E-01 1.0000000
|
|
F 1
|
|
1 0.102500E+01 1.0000000
|
|
F 1
|
|
1 0.900000E-01 1.0000000
|
|
|
|
VANADIUM
|
|
S 6
|
|
1 0.473293E+05 0.188790E-02
|
|
2 0.710720E+04 0.144662E-01
|
|
3 0.161741E+04 0.716497E-01
|
|
4 0.456605E+03 0.247859E+00
|
|
5 0.148283E+03 0.500000E+00
|
|
6 0.508242E+02 0.384469E+00
|
|
S 4
|
|
1 0.979076E+02 -0.821286E-01
|
|
2 0.114399E+02 0.500000E+00
|
|
3 0.504930E+01 0.426310E+00
|
|
4 0.165050E+01 0.487248E-01
|
|
S 2
|
|
1 0.118496E+01 0.500000E+00
|
|
2 0.462825E+00 0.215230E+00
|
|
S 1
|
|
1 0.914570E-01 1.0000000
|
|
S 1
|
|
1 0.344979E-01 1.0000000
|
|
S 1
|
|
1 0.121000E-01 1.0000000
|
|
P 6
|
|
1 0.109904E+04 0.341756E-02
|
|
2 0.259292E+03 0.275387E-01
|
|
3 0.830803E+02 0.123313E+00
|
|
4 0.307683E+02 0.337875E+00
|
|
5 0.121985E+02 0.500000E+00
|
|
6 0.478595E+01 0.270657E+00
|
|
P 3
|
|
1 0.287460E+01 0.286609E+00
|
|
2 0.112325E+01 0.500000E+00
|
|
3 0.417167E+00 0.233576E+00
|
|
P 1
|
|
1 0.101000E+00 1.0000000
|
|
P 1
|
|
1 0.252500E-01 1.0000000
|
|
D 5
|
|
1 0.422105E+02 0.152518E-01
|
|
2 0.119584E+02 0.934166E-01
|
|
3 0.406021E+01 0.289084E+00
|
|
4 0.148654E+01 0.481736E+00
|
|
5 0.517117E+00 0.500000E+00
|
|
D 1
|
|
1 0.159051E+00 1.0000000
|
|
D 1
|
|
1 0.460850E-01 1.0000000
|
|
F 1
|
|
1 0.112700E+01 1.0000000
|
|
F 1
|
|
1 0.101000E+00 1.0000000
|
|
|
|
CHROMIUM
|
|
S 6
|
|
1 0.517280E+05 0.188154E-02
|
|
2 0.776773E+04 0.144185E-01
|
|
3 0.176773E+04 0.714407E-01
|
|
4 0.499079E+03 0.247429E+00
|
|
5 0.162149E+03 0.500000E+00
|
|
6 0.556312E+02 0.385873E+00
|
|
S 4
|
|
1 0.107093E+03 -0.818647E-01
|
|
2 0.125660E+02 0.500000E+00
|
|
3 0.556790E+01 0.417878E+00
|
|
4 0.184998E+01 0.477229E-01
|
|
S 2
|
|
1 0.133608E+01 0.500000E+00
|
|
2 0.522186E+00 0.222769E+00
|
|
S 1
|
|
1 0.101192E+00 1.0000000
|
|
S 1
|
|
1 0.379481E-01 1.0000000
|
|
S 1
|
|
1 0.132380E-01 1.0000000
|
|
P 6
|
|
1 0.121694E+04 0.336341E-02
|
|
2 0.287202E+03 0.271619E-01
|
|
3 0.920920E+02 0.122235E+00
|
|
4 0.341502E+02 0.336930E+00
|
|
5 0.135790E+02 0.500000E+00
|
|
6 0.534791E+01 0.270260E+00
|
|
P 3
|
|
1 0.323859E+01 0.289343E+00
|
|
2 0.126466E+01 0.500000E+00
|
|
3 0.469192E+00 0.233201E+00
|
|
P 1
|
|
1 0.113000E+00 1.0000000
|
|
P 1
|
|
1 0.282500E-01 1.0000000
|
|
D 5
|
|
1 0.480525E+02 0.154866E-01
|
|
2 0.136735E+02 0.957797E-01
|
|
3 0.467843E+01 0.295828E+00
|
|
4 0.172198E+01 0.488965E+00
|
|
5 0.601331E+00 0.500000E+00
|
|
D 1
|
|
1 0.184366E+00 1.0000000
|
|
D 1
|
|
1 0.532600E-01 1.0000000
|
|
F 1
|
|
1 0.124000E+01 1.0000000
|
|
F 1
|
|
1 0.113000E+00 1.0000000
|
|
|
|
MANGANESE
|
|
S 6
|
|
1 0.563240E+05 0.187561E-02
|
|
2 0.845777E+04 0.143742E-01
|
|
3 0.192476E+04 0.712467E-01
|
|
4 0.543440E+03 0.247033E+00
|
|
5 0.176629E+03 0.500000E+00
|
|
6 0.606537E+02 0.387119E+00
|
|
S 4
|
|
1 0.116704E+03 -0.816294E-01
|
|
2 0.137458E+02 0.500000E+00
|
|
3 0.610862E+01 0.410186E+00
|
|
4 0.206026E+01 0.466709E-01
|
|
S 2
|
|
1 0.149449E+01 0.500000E+00
|
|
2 0.583884E+00 0.230352E+00
|
|
S 1
|
|
1 0.110634E+00 1.0000000
|
|
S 1
|
|
1 0.412430E-01 1.0000000
|
|
S 1
|
|
1 0.143080E-01 1.0000000
|
|
P 6
|
|
1 0.134041E+04 0.331662E-02
|
|
2 0.316440E+03 0.268363E-01
|
|
3 0.101533E+03 0.121317E+00
|
|
4 0.376952E+02 0.336177E+00
|
|
5 0.150269E+02 0.500000E+00
|
|
6 0.593768E+01 0.269791E+00
|
|
P 3
|
|
1 0.362197E+01 0.291374E+00
|
|
2 0.141230E+01 0.500000E+00
|
|
3 0.522848E+00 0.233359E+00
|
|
P 1
|
|
1 0.125000E+00 1.0000000
|
|
P 1
|
|
1 0.312500E-01 1.0000000
|
|
D 5
|
|
1 0.543583E+02 0.155922E-01
|
|
2 0.155312E+02 0.972824E-01
|
|
3 0.535034E+01 0.300763E+00
|
|
4 0.197962E+01 0.494578E+00
|
|
5 0.694554E+00 0.500000E+00
|
|
D 1
|
|
1 0.213364E+00 1.0000000
|
|
D 1
|
|
1 0.617500E-01 1.0000000
|
|
F 1
|
|
1 0.136400E+01 1.0000000
|
|
F 1
|
|
1 0.125000E+00 1.0000000
|
|
|
|
IRON
|
|
S 6
|
|
1 0.611208E+05 0.186994E-02
|
|
2 0.917788E+04 0.143321E-01
|
|
3 0.208858E+04 0.710640E-01
|
|
4 0.589714E+03 0.246660E+00
|
|
5 0.191734E+03 0.500000E+00
|
|
6 0.658939E+02 0.388271E+00
|
|
S 4
|
|
1 0.126731E+03 -0.814107E-01
|
|
2 0.149798E+02 0.500000E+00
|
|
3 0.667445E+01 0.403376E+00
|
|
4 0.228282E+01 0.457264E-01
|
|
S 2
|
|
1 0.166099E+01 0.500000E+00
|
|
2 0.649495E+00 0.235469E+00
|
|
S 1
|
|
1 0.117778E+00 1.0000000
|
|
S 1
|
|
1 0.427351E-01 1.0000000
|
|
S 1
|
|
1 0.144570E-01 1.0000000
|
|
P 6
|
|
1 0.147001E+04 0.327351E-02
|
|
2 0.347130E+03 0.265351E-01
|
|
3 0.111447E+03 0.120453E+00
|
|
4 0.414219E+02 0.335397E+00
|
|
5 0.165515E+02 0.500000E+00
|
|
6 0.655951E+01 0.269494E+00
|
|
P 3
|
|
1 0.402754E+01 0.292780E+00
|
|
2 0.157010E+01 0.500000E+00
|
|
3 0.581064E+00 0.232018E+00
|
|
P 1
|
|
1 0.138000E+00 1.0000000
|
|
P 1
|
|
1 0.345000E-01 1.0000000
|
|
D 5
|
|
1 0.595410E+02 0.164335E-01
|
|
2 0.170517E+02 0.102608E+00
|
|
3 0.589656E+01 0.313394E+00
|
|
4 0.217936E+01 0.504816E+00
|
|
5 0.759780E+00 0.500000E+00
|
|
D 1
|
|
1 0.229971E+00 1.0000000
|
|
D 1
|
|
1 0.656350E-01 1.0000000
|
|
F 1
|
|
1 0.150000E+01 1.0000000
|
|
F 1
|
|
1 0.138000E+00 1.0000000
|
|
|
|
COBALT
|
|
S 6
|
|
1 0.660912E+05 0.186548E-02
|
|
2 0.992418E+04 0.142987E-01
|
|
3 0.225843E+04 0.709175E-01
|
|
4 0.637713E+03 0.246365E+00
|
|
5 0.207415E+03 0.500000E+00
|
|
6 0.713421E+02 0.389230E+00
|
|
S 4
|
|
1 0.137187E+03 -0.812052E-01
|
|
2 0.162666E+02 0.500000E+00
|
|
3 0.726156E+01 0.397030E+00
|
|
4 0.251550E+01 0.447426E-01
|
|
S 2
|
|
1 0.183509E+01 0.500000E+00
|
|
2 0.717218E+00 0.240983E+00
|
|
S 1
|
|
1 0.124883E+00 1.0000000
|
|
S 1
|
|
1 0.442420E-01 1.0000000
|
|
S 1
|
|
1 0.146370E-01 1.0000000
|
|
P 6
|
|
1 0.160526E+04 0.323568E-02
|
|
2 0.379149E+03 0.262722E-01
|
|
3 0.121788E+03 0.119709E+00
|
|
4 0.453110E+02 0.334772E+00
|
|
5 0.181433E+02 0.500000E+00
|
|
6 0.720897E+01 0.269125E+00
|
|
P 3
|
|
1 0.445203E+01 0.294017E+00
|
|
2 0.173403E+01 0.500000E+00
|
|
3 0.640868E+00 0.231584E+00
|
|
P 1
|
|
1 0.151000E+00 1.0000000
|
|
P 1
|
|
1 0.377500E-01 1.0000000
|
|
D 5
|
|
1 0.656220E+02 0.168248E-01
|
|
2 0.188404E+02 0.105482E+00
|
|
3 0.654261E+01 0.320220E+00
|
|
4 0.242111E+01 0.510102E+00
|
|
5 0.842515E+00 0.500000E+00
|
|
D 1
|
|
1 0.253601E+00 1.0000000
|
|
D 1
|
|
1 0.720010E-01 1.0000000
|
|
F 1
|
|
1 0.165000E+01 1.0000000
|
|
F 1
|
|
1 0.151000E+00 1.0000000
|
|
|
|
NICKEL
|
|
S 6
|
|
1 0.712691E+05 0.186093E-02
|
|
2 0.107017E+05 0.142645E-01
|
|
3 0.243534E+04 0.707685E-01
|
|
4 0.687695E+03 0.246062E+00
|
|
5 0.223739E+03 0.500000E+00
|
|
6 0.770127E+02 0.390160E+00
|
|
S 4
|
|
1 0.148063E+03 -0.810407E-01
|
|
2 0.176088E+02 0.500000E+00
|
|
3 0.787312E+01 0.391423E+00
|
|
4 0.275983E+01 0.438584E-01
|
|
S 2
|
|
1 0.201713E+01 0.500000E+00
|
|
2 0.787528E+00 0.246308E+00
|
|
S 1
|
|
1 0.132554E+00 1.0000000
|
|
S 1
|
|
1 0.460751E-01 1.0000000
|
|
S 1
|
|
1 0.149750E-01 1.0000000
|
|
P 6
|
|
1 0.174616E+04 0.320208E-02
|
|
2 0.412525E+03 0.260372E-01
|
|
3 0.132571E+03 0.119052E+00
|
|
4 0.493665E+02 0.334261E+00
|
|
5 0.198041E+02 0.500000E+00
|
|
6 0.788720E+01 0.268761E+00
|
|
P 3
|
|
1 0.489589E+01 0.295195E+00
|
|
2 0.190493E+01 0.500000E+00
|
|
3 0.702992E+00 0.231470E+00
|
|
P 1
|
|
1 0.165000E+00 1.0000000
|
|
P 1
|
|
1 0.412500E-01 1.0000000
|
|
D 5
|
|
1 0.719655E+02 0.171693E-01
|
|
2 0.207102E+02 0.108007E+00
|
|
3 0.721827E+01 0.326242E+00
|
|
4 0.267357E+01 0.514742E+00
|
|
5 0.928961E+00 0.500000E+00
|
|
D 1
|
|
1 0.278115E+00 1.0000000
|
|
D 1
|
|
1 0.785590E-01 1.0000000
|
|
F 1
|
|
1 0.181500E+01 1.0000000
|
|
F 1
|
|
1 0.165000E+00 1.0000000
|
|
|
|
COPPER
|
|
S 6
|
|
1 0.766372E+05 0.185685E-02
|
|
2 0.115079E+05 0.142337E-01
|
|
3 0.261882E+04 0.706331E-01
|
|
4 0.739536E+03 0.245788E+00
|
|
5 0.240673E+03 0.500000E+00
|
|
6 0.828992E+02 0.391002E+00
|
|
S 4
|
|
1 0.159362E+03 -0.809030E-01
|
|
2 0.190056E+02 0.500000E+00
|
|
3 0.850865E+01 0.386407E+00
|
|
4 0.301482E+01 0.430550E-01
|
|
S 2
|
|
1 0.220701E+01 0.500000E+00
|
|
2 0.860421E+00 0.251281E+00
|
|
S 1
|
|
1 0.140845E+00 1.0000000
|
|
S 1
|
|
1 0.482383E-01 1.0000000
|
|
S 1
|
|
1 0.154620E-01 1.0000000
|
|
P 6
|
|
1 0.189268E+04 0.317232E-02
|
|
2 0.447221E+03 0.258310E-01
|
|
3 0.143778E+03 0.118490E+00
|
|
4 0.535818E+02 0.333882E+00
|
|
5 0.215313E+02 0.500000E+00
|
|
6 0.859335E+01 0.268355E+00
|
|
P 3
|
|
1 0.535950E+01 0.296260E+00
|
|
2 0.208306E+01 0.500000E+00
|
|
3 0.767566E+00 0.231525E+00
|
|
P 1
|
|
1 0.180000E+00 1.0000000
|
|
P 1
|
|
1 0.450000E-01 1.0000000
|
|
D 5
|
|
1 0.785450E+02 0.174901E-01
|
|
2 0.226523E+02 0.110327E+00
|
|
3 0.792099E+01 0.331718E+00
|
|
4 0.293590E+01 0.518899E+00
|
|
5 0.101874E+01 0.500000E+00
|
|
D 1
|
|
1 0.303322E+00 1.0000000
|
|
D 1
|
|
1 0.852360E-01 1.0000000
|
|
F 1
|
|
1 0.199700E+01 1.0000000
|
|
F 1
|
|
1 0.180000E+00 1.0000000
|
|
|
|
ZINC
|
|
S 6
|
|
1 0.822032E+05 0.185297E-02
|
|
2 0.123434E+05 0.142051E-01
|
|
3 0.280889E+04 0.705093E-01
|
|
4 0.793234E+03 0.245538E+00
|
|
5 0.258216E+03 0.500000E+00
|
|
6 0.890002E+02 0.391760E+00
|
|
S 4
|
|
1 0.171085E+03 -0.807753E-01
|
|
2 0.204557E+02 0.500000E+00
|
|
3 0.916604E+01 0.381740E+00
|
|
4 0.327921E+01 0.422389E-01
|
|
S 2
|
|
1 0.240434E+01 0.500000E+00
|
|
2 0.935398E+00 0.256230E+00
|
|
S 1
|
|
1 0.149043E+00 1.0000000
|
|
S 1
|
|
1 0.504596E-01 1.0000000
|
|
S 1
|
|
1 0.160000E-01 1.0000000
|
|
P 6
|
|
1 0.204440E+04 0.314691E-02
|
|
2 0.483159E+03 0.256552E-01
|
|
3 0.155392E+03 0.118019E+00
|
|
4 0.579545E+02 0.333605E+00
|
|
5 0.233250E+02 0.500000E+00
|
|
6 0.932731E+01 0.267913E+00
|
|
P 3
|
|
1 0.584243E+01 0.297114E+00
|
|
2 0.226759E+01 0.500000E+00
|
|
3 0.833841E+00 0.231863E+00
|
|
P 1
|
|
1 0.195000E+00 1.0000000
|
|
P 1
|
|
1 0.487500E-01 1.0000000
|
|
D 5
|
|
1 0.855125E+02 0.177249E-01
|
|
2 0.247130E+02 0.112110E+00
|
|
3 0.866791E+01 0.336083E+00
|
|
4 0.321585E+01 0.522226E+00
|
|
5 0.111531E+01 0.500000E+00
|
|
D 1
|
|
1 0.331095E+00 1.0000000
|
|
D 1
|
|
1 0.927820E-01 1.0000000
|
|
F 1
|
|
1 0.219600E+01 1.0000000
|
|
F 1
|
|
1 0.195000E+00 1.0000000
|
|
|
|
GALLIUM
|
|
S 6
|
|
1 0.880200E+05 0.184835E-02
|
|
2 0.132168E+05 0.141705E-01
|
|
3 0.300766E+04 0.703552E-01
|
|
4 0.849422E+03 0.245199E+00
|
|
5 0.276595E+03 0.500000E+00
|
|
6 0.953959E+02 0.392973E+00
|
|
S 4
|
|
1 0.183189E+03 -0.804620E-01
|
|
2 0.219548E+02 0.500000E+00
|
|
3 0.985248E+01 0.378347E+00
|
|
4 0.348869E+01 0.423214E-01
|
|
S 2
|
|
1 0.260770E+01 0.500000E+00
|
|
2 0.103672E+01 0.254793E+00
|
|
S 1
|
|
1 0.188517E+00 1.0000000
|
|
S 1
|
|
1 0.663048E-01 1.0000000
|
|
S 1
|
|
1 0.217880E-01 1.0000000
|
|
P 6
|
|
1 0.222696E+04 0.306402E-02
|
|
2 0.526420E+03 0.250310E-01
|
|
3 0.169409E+03 0.115722E+00
|
|
4 0.632435E+02 0.329792E+00
|
|
5 0.255018E+02 0.500000E+00
|
|
6 0.102420E+02 0.272708E+00
|
|
P 3
|
|
1 0.651924E+01 0.290703E+00
|
|
2 0.264620E+01 0.500000E+00
|
|
3 0.104896E+01 0.270636E+00
|
|
P 1
|
|
1 0.259549E+00 1.0000000
|
|
P 1
|
|
1 0.646505E-01 1.0000000
|
|
P 1
|
|
1 0.161630E-01 1.0000000
|
|
D 6
|
|
1 0.101407E+03 0.153550E-01
|
|
2 0.294416E+02 0.100547E+00
|
|
3 0.104513E+02 0.312568E+00
|
|
4 0.396696E+01 0.510489E+00
|
|
5 0.143116E+01 0.500000E+00
|
|
6 0.455184E+00 0.267059E+00
|
|
D 1
|
|
1 0.151000E+00 1.0000000
|
|
D 1
|
|
1 0.469750E-01 1.0000000
|
|
|
|
GERMANIUM
|
|
S 6
|
|
1 0.940720E+05 0.184322E-02
|
|
2 0.141255E+05 0.141318E-01
|
|
3 0.321444E+04 0.701834E-01
|
|
4 0.907847E+03 0.244818E+00
|
|
5 0.295691E+03 0.500000E+00
|
|
6 0.102034E+03 0.394247E+00
|
|
S 4
|
|
1 0.195700E+03 -0.801662E-01
|
|
2 0.235078E+02 0.500000E+00
|
|
3 0.105672E+02 0.375307E+00
|
|
4 0.370706E+01 0.426829E-01
|
|
S 2
|
|
1 0.281835E+01 0.500000E+00
|
|
2 0.114082E+01 0.248819E+00
|
|
S 1
|
|
1 0.231053E+00 1.0000000
|
|
S 1
|
|
1 0.828034E-01 1.0000000
|
|
S 1
|
|
1 0.276900E-01 1.0000000
|
|
P 6
|
|
1 0.240479E+04 0.301461E-02
|
|
2 0.568546E+03 0.246650E-01
|
|
3 0.183041E+03 0.114443E+00
|
|
4 0.683859E+02 0.327843E+00
|
|
5 0.276206E+02 0.500000E+00
|
|
6 0.111188E+02 0.274897E+00
|
|
P 3
|
|
1 0.709479E+01 0.290052E+00
|
|
2 0.291066E+01 0.500000E+00
|
|
3 0.118060E+01 0.269290E+00
|
|
P 1
|
|
1 0.323882E+00 1.0000000
|
|
P 1
|
|
1 0.876833E-01 1.0000000
|
|
P 1
|
|
1 0.225190E-01 1.0000000
|
|
D 6
|
|
1 0.117355E+03 0.137980E-01
|
|
2 0.342013E+02 0.926753E-01
|
|
3 0.122589E+02 0.295974E+00
|
|
4 0.472959E+01 0.502164E+00
|
|
5 0.175580E+01 0.500000E+00
|
|
6 0.584499E+00 0.252619E+00
|
|
D 1
|
|
1 0.194000E+00 1.0000000
|
|
D 1
|
|
1 0.603820E-01 1.0000000
|
|
|
|
ARSENIC
|
|
S 6
|
|
1 0.100314E+06 0.183873E-02
|
|
2 0.150628E+05 0.140978E-01
|
|
3 0.342776E+04 0.700313E-01
|
|
4 0.968153E+03 0.244472E+00
|
|
5 0.315419E+03 0.500000E+00
|
|
6 0.108898E+03 0.395452E+00
|
|
S 4
|
|
1 0.208617E+03 -0.798828E-01
|
|
2 0.251148E+02 0.500000E+00
|
|
3 0.113102E+02 0.372555E+00
|
|
4 0.393496E+01 0.432472E-01
|
|
S 2
|
|
1 0.303771E+01 0.500000E+00
|
|
2 0.124735E+01 0.240289E+00
|
|
S 1
|
|
1 0.276603E+00 1.0000000
|
|
S 1
|
|
1 0.998823E-01 1.0000000
|
|
S 1
|
|
1 0.336390E-01 1.0000000
|
|
P 6
|
|
1 0.259071E+04 0.296650E-02
|
|
2 0.612631E+03 0.243044E-01
|
|
3 0.197311E+03 0.113168E+00
|
|
4 0.737719E+02 0.325850E+00
|
|
5 0.298432E+02 0.500000E+00
|
|
6 0.120398E+02 0.277240E+00
|
|
P 3
|
|
1 0.768772E+01 0.289577E+00
|
|
2 0.318206E+01 0.500000E+00
|
|
3 0.131486E+01 0.264560E+00
|
|
P 1
|
|
1 0.393916E+00 1.0000000
|
|
P 1
|
|
1 0.111712E+00 1.0000000
|
|
P 1
|
|
1 0.299800E-01 1.0000000
|
|
D 6
|
|
1 0.133680E+03 0.126655E-01
|
|
2 0.390846E+02 0.867896E-01
|
|
3 0.141215E+02 0.283323E+00
|
|
4 0.551628E+01 0.495738E+00
|
|
5 0.209379E+01 0.500000E+00
|
|
6 0.720841E+00 0.242044E+00
|
|
D 1
|
|
1 0.238000E+00 1.0000000
|
|
D 1
|
|
1 0.737130E-01 1.0000000
|
|
|
|
SELENIUM
|
|
S 6
|
|
1 0.106781E+06 0.183397E-02
|
|
2 0.160335E+05 0.140628E-01
|
|
3 0.364855E+04 0.698778E-01
|
|
4 0.103051E+04 0.244139E+00
|
|
5 0.335807E+03 0.500000E+00
|
|
6 0.115993E+03 0.396624E+00
|
|
S 4
|
|
1 0.221948E+03 -0.795948E-01
|
|
2 0.267743E+02 0.500000E+00
|
|
3 0.120806E+02 0.369956E+00
|
|
4 0.417200E+01 0.439850E-01
|
|
S 2
|
|
1 0.326597E+01 0.500000E+00
|
|
2 0.135565E+01 0.230246E+00
|
|
S 1
|
|
1 0.326566E+00 1.0000000
|
|
S 1
|
|
1 0.118490E+00 1.0000000
|
|
S 1
|
|
1 0.400840E-01 1.0000000
|
|
P 6
|
|
1 0.278531E+04 0.291894E-02
|
|
2 0.658708E+03 0.239501E-01
|
|
3 0.212226E+03 0.111895E+00
|
|
4 0.794029E+02 0.323826E+00
|
|
5 0.321682E+02 0.500000E+00
|
|
6 0.130029E+02 0.279638E+00
|
|
P 3
|
|
1 0.829337E+01 0.289271E+00
|
|
2 0.345432E+01 0.500000E+00
|
|
3 0.144531E+01 0.255922E+00
|
|
P 1
|
|
1 0.469002E+00 1.0000000
|
|
P 1
|
|
1 0.130992E+00 1.0000000
|
|
P 1
|
|
1 0.346510E-01 1.0000000
|
|
D 6
|
|
1 0.150679E+03 0.117597E-01
|
|
2 0.441776E+02 0.819576E-01
|
|
3 0.160701E+02 0.272708E+00
|
|
4 0.634017E+01 0.490039E+00
|
|
5 0.244942E+01 0.500000E+00
|
|
6 0.866162E+00 0.233781E+00
|
|
D 1
|
|
1 0.287000E+00 1.0000000
|
|
D 1
|
|
1 0.891860E-01 1.0000000
|
|
|
|
BROMINE
|
|
S 6
|
|
1 0.113433E+06 0.182992E-02
|
|
2 0.170323E+05 0.140321E-01
|
|
3 0.387589E+04 0.697400E-01
|
|
4 0.109478E+04 0.243825E+00
|
|
5 0.356841E+03 0.500000E+00
|
|
6 0.123317E+03 0.397752E+00
|
|
S 4
|
|
1 0.235689E+03 -0.793206E-01
|
|
2 0.284876E+02 0.500000E+00
|
|
3 0.128790E+02 0.367555E+00
|
|
4 0.441844E+01 0.448874E-01
|
|
S 2
|
|
1 0.350439E+01 0.500000E+00
|
|
2 0.146525E+01 0.219690E+00
|
|
S 1
|
|
1 0.379819E+00 1.0000000
|
|
S 1
|
|
1 0.138413E+00 1.0000000
|
|
S 1
|
|
1 0.470140E-01 1.0000000
|
|
P 6
|
|
1 0.298807E+04 0.287305E-02
|
|
2 0.706766E+03 0.236047E-01
|
|
3 0.227783E+03 0.110651E+00
|
|
4 0.852764E+02 0.321818E+00
|
|
5 0.345964E+02 0.500000E+00
|
|
6 0.140102E+02 0.282092E+00
|
|
P 3
|
|
1 0.891769E+01 0.288898E+00
|
|
2 0.373358E+01 0.500000E+00
|
|
3 0.157401E+01 0.245944E+00
|
|
P 1
|
|
1 0.550724E+00 1.0000000
|
|
P 1
|
|
1 0.154474E+00 1.0000000
|
|
P 1
|
|
1 0.410270E-01 1.0000000
|
|
D 6
|
|
1 0.168232E+03 0.110431E-01
|
|
2 0.494419E+02 0.780716E-01
|
|
3 0.180878E+02 0.264128E+00
|
|
4 0.719405E+01 0.485386E+00
|
|
5 0.282020E+01 0.500000E+00
|
|
6 0.101870E+01 0.227220E+00
|
|
D 1
|
|
1 0.337000E+00 1.0000000
|
|
D 1
|
|
1 0.104570E+00 1.0000000
|
|
|
|
KRYPTON
|
|
S 6
|
|
1 0.120331E+06 0.182528E-02
|
|
2 0.180679E+05 0.139974E-01
|
|
3 0.411152E+04 0.695845E-01
|
|
4 0.116136E+04 0.243471E+00
|
|
5 0.378605E+03 0.500000E+00
|
|
6 0.130886E+03 0.398923E+00
|
|
S 4
|
|
1 0.249837E+03 -0.790662E-01
|
|
2 0.302557E+02 0.500000E+00
|
|
3 0.137065E+02 0.365371E+00
|
|
4 0.467780E+01 0.459156E-01
|
|
S 2
|
|
1 0.375357E+01 0.500000E+00
|
|
2 0.157639E+01 0.209292E+00
|
|
S 1
|
|
1 0.436357E+00 1.0000000
|
|
S 1
|
|
1 0.159297E+00 1.0000000
|
|
S 1
|
|
1 0.541960E-01 1.0000000
|
|
P 6
|
|
1 0.319862E+04 0.282945E-02
|
|
2 0.756666E+03 0.232762E-01
|
|
3 0.243943E+03 0.109451E+00
|
|
4 0.913837E+02 0.319847E+00
|
|
5 0.371244E+02 0.500000E+00
|
|
6 0.150593E+02 0.284531E+00
|
|
P 3
|
|
1 0.956032E+01 0.288540E+00
|
|
2 0.401982E+01 0.500000E+00
|
|
3 0.169865E+01 0.235442E+00
|
|
P 1
|
|
1 0.636321E+00 1.0000000
|
|
P 1
|
|
1 0.180236E+00 1.0000000
|
|
P 1
|
|
1 0.483140E-01 1.0000000
|
|
D 6
|
|
1 0.186382E+03 0.104609E-01
|
|
2 0.548882E+02 0.748792E-01
|
|
3 0.201773E+02 0.257087E+00
|
|
4 0.807921E+01 0.481565E+00
|
|
5 0.320673E+01 0.500000E+00
|
|
6 0.117886E+01 0.221870E+00
|
|
D 1
|
|
1 0.393000E+00 1.0000000
|
|
D 1
|
|
1 0.122830E+00 1.0000000
|
|
|
|
|