mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-24 12:33:30 +01:00
1170 lines
37 KiB
Plaintext
1170 lines
37 KiB
Plaintext
HYDROGEN
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S 2
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1 0.434473E+01 0.934643E-01
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2 0.660487E+00 0.500000E+00
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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 0.341720E-01 1.0000000
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HELIUM
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S 2
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1 0.132101E+02 0.102774E+00
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2 0.194346E+01 0.500000E+00
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S 1
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1 0.354437E+00 1.0000000
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S 1
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1 0.886090E-01 1.0000000
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LITHIUM
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S 4
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1 0.105434E+03 0.229812E-01
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2 0.159407E+02 0.154727E+00
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3 0.349862E+01 0.500000E+00
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4 0.865380E+00 0.611796E+00
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S 1
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1 0.860000E-01 1.0000000
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S 1
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1 0.396337E-01 1.0000000
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S 1
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1 0.167240E-01 1.0000000
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P 2
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1 0.226471E+01 0.672700E-01
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2 0.348417E+00 0.500000E+00
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P 1
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1 0.624983E-01 1.0000000
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P 1
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1 0.501720E-01 1.0000000
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BERYLLIUM
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S 4
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1 0.196127E+03 0.219404E-01
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2 0.296333E+02 0.149674E+00
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3 0.655331E+01 0.500000E+00
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4 0.166799E+01 0.616299E+00
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S 1
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1 0.156252E+00 1.0000000
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S 1
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1 0.560242E-01 1.0000000
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S 1
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1 0.187430E-01 1.0000000
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P 2
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1 0.375459E+01 0.652270E-01
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2 0.577629E+00 0.500000E+00
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P 1
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1 0.102459E+00 1.0000000
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P 1
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1 0.562300E-01 1.0000000
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BORON
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S 4
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1 0.319234E+03 0.212657E-01
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2 0.482124E+02 0.146455E+00
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3 0.107215E+02 0.500000E+00
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4 0.278043E+01 0.624221E+00
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S 1
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1 0.282375E+00 1.0000000
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S 1
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1 0.950029E-01 1.0000000
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S 1
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1 0.299480E-01 1.0000000
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P 3
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1 0.183820E+02 0.989755E-02
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2 0.282800E+01 0.112945E+00
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3 0.550779E+00 0.500000E+00
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P 1
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1 0.122020E+00 1.0000000
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P 1
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1 0.305050E-01 1.0000000
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CARBON
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S 4
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1 0.471525E+03 0.208506E-01
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2 0.711900E+02 0.144462E+00
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3 0.158860E+02 0.500000E+00
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4 0.416469E+01 0.628138E+00
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S 1
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1 0.442581E+00 1.0000000
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S 1
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1 0.142836E+00 1.0000000
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S 1
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1 0.433030E-01 1.0000000
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P 3
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1 0.286787E+02 0.100084E-01
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2 0.441211E+01 0.118222E+00
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3 0.879860E+00 0.500000E+00
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P 1
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1 0.192992E+00 1.0000000
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P 1
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1 0.482480E-01 1.0000000
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NITROGEN
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S 4
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1 0.653283E+03 0.205664E-01
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2 0.986100E+02 0.143088E+00
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3 0.220574E+02 0.500000E+00
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4 0.582324E+01 0.630731E+00
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S 1
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1 0.637084E+00 1.0000000
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S 1
|
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1 0.199637E+00 1.0000000
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S 1
|
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1 0.588690E-01 1.0000000
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P 3
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1 0.410948E+02 0.100876E-01
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2 0.632227E+01 0.121807E+00
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3 0.128076E+01 0.500000E+00
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P 1
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1 0.278950E+00 1.0000000
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P 1
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1 0.697370E-01 1.0000000
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OXYGEN
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S 4
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1 0.864900E+03 0.203617E-01
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2 0.130531E+03 0.142109E+00
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3 0.292551E+02 0.500000E+00
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4 0.776965E+01 0.633334E+00
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S 1
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1 0.869788E+00 1.0000000
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S 1
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1 0.269783E+00 1.0000000
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S 1
|
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1 0.787910E-01 1.0000000
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P 3
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1 0.539859E+02 0.104916E-01
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2 0.830553E+01 0.127839E+00
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3 0.169516E+01 0.500000E+00
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P 1
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1 0.357951E+00 1.0000000
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P 1
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1 0.894880E-01 1.0000000
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FLUORINE
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S 4
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1 0.110604E+04 0.202032E-01
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2 0.166903E+03 0.141343E+00
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3 0.374603E+02 0.500000E+00
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4 0.998992E+01 0.635147E+00
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S 1
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1 0.113792E+01 1.0000000
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S 1
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1 0.349083E+00 1.0000000
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S 1
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1 0.100900E+00 1.0000000
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P 3
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1 0.696176E+02 0.106441E-01
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2 0.107104E+02 0.131030E+00
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3 0.219852E+01 0.500000E+00
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P 1
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1 0.457687E+00 1.0000000
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P 1
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1 0.114420E+00 1.0000000
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NEON
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S 4
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1 0.137668E+04 0.200783E-01
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2 0.207721E+03 0.140736E+00
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3 0.466729E+02 0.500000E+00
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4 0.124845E+02 0.636457E+00
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S 1
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1 0.144043E+01 1.0000000
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S 1
|
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1 0.436813E+00 1.0000000
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S 1
|
|
1 0.124890E+00 1.0000000
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P 3
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1 0.876051E+02 0.107063E-01
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2 0.134777E+02 0.132961E+00
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3 0.278027E+01 0.500000E+00
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P 1
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1 0.574798E+00 1.0000000
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P 1
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1 0.143700E+00 1.0000000
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SODIUM
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S 5
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1 0.409440E+04 0.595638E-02
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2 0.616161E+03 0.444531E-01
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3 0.139968E+03 0.197678E+00
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4 0.389011E+02 0.500000E+00
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5 0.120097E+02 0.436664E+00
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S 2
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1 0.172063E+01 0.500000E+00
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2 0.546182E+00 0.340641E+00
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S 1
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1 0.618218E-01 1.0000000
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S 1
|
|
1 0.264778E-01 1.0000000
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|
S 1
|
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1 0.104450E-01 1.0000000
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P 5
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1 0.246605E+03 0.325530E-02
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2 0.379392E+02 0.512641E-01
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3 0.845240E+01 0.279342E+00
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4 0.233229E+01 0.586584E+00
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5 0.610084E+00 0.500000E+00
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P 1
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1 0.950000E-01 1.0000000
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P 1
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1 0.237500E-01 1.0000000
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MAGNESIUM
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S 5
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1 0.493788E+04 0.588250E-02
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2 0.743048E+03 0.439409E-01
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3 0.168817E+03 0.196125E+00
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4 0.469828E+02 0.500000E+00
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5 0.145627E+02 0.442642E+00
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S 2
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1 0.210737E+01 0.500000E+00
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2 0.709072E+00 0.322304E+00
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S 1
|
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1 0.101738E+00 1.0000000
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S 1
|
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1 0.377840E-01 1.0000000
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S 1
|
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1 0.130620E-01 1.0000000
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P 5
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1 0.322425E+03 0.300073E-02
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2 0.496039E+02 0.482979E-01
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3 0.111546E+02 0.271054E+00
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4 0.313780E+01 0.593673E+00
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5 0.862606E+00 0.500000E+00
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P 1
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1 0.160000E+00 1.0000000
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P 1
|
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1 0.400000E-01 1.0000000
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ALUMINUM
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S 5
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1 0.587363E+04 0.581392E-02
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2 0.883803E+03 0.434650E-01
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3 0.200827E+03 0.194652E+00
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4 0.559656E+02 0.500000E+00
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5 0.174067E+02 0.449368E+00
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S 2
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1 0.253373E+01 0.500000E+00
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2 0.886708E+00 0.297740E+00
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S 1
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1 0.161363E+00 1.0000000
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S 1
|
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1 0.600272E-01 1.0000000
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S 1
|
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1 0.207840E-01 1.0000000
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P 5
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1 0.515200E+03 0.163625E-02
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2 0.792615E+02 0.277875E-01
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3 0.182117E+02 0.170789E+00
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4 0.536427E+01 0.445826E+00
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5 0.163197E+01 0.500000E+00
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P 1
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1 0.401700E+00 1.0000000
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P 1
|
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1 0.887817E-01 1.0000000
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P 1
|
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1 0.221950E-01 1.0000000
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|
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SILICON
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S 5
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1 0.688979E+04 0.575602E-02
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2 0.103666E+04 0.430617E-01
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3 0.235585E+03 0.193412E+00
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4 0.657179E+02 0.500000E+00
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5 0.205024E+02 0.454845E+00
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S 2
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1 0.299923E+01 0.500000E+00
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2 0.107285E+01 0.274560E+00
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S 1
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1 0.226894E+00 1.0000000
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S 1
|
|
1 0.835919E-01 1.0000000
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S 1
|
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1 0.286830E-01 1.0000000
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P 5
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1 0.618870E+03 0.161974E-02
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2 0.952108E+02 0.277243E-01
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3 0.219365E+02 0.172434E+00
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4 0.649738E+01 0.454958E+00
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5 0.200767E+01 0.500000E+00
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P 1
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1 0.481100E+00 1.0000000
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P 1
|
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1 0.120218E+00 1.0000000
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P 1
|
|
1 0.300550E-01 1.0000000
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|
PHOSPHORUS
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S 5
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1 0.798861E+04 0.570562E-02
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2 0.120192E+04 0.427118E-01
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3 0.273161E+03 0.192333E+00
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4 0.762657E+02 0.500000E+00
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5 0.238570E+02 0.459677E+00
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S 2
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1 0.350611E+01 0.500000E+00
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2 0.126861E+01 0.253994E+00
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S 1
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1 0.300248E+00 1.0000000
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S 1
|
|
1 0.109045E+00 1.0000000
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S 1
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1 0.369210E-01 1.0000000
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P 5
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1 0.734958E+03 0.159537E-02
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2 0.113070E+03 0.275037E-01
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3 0.261165E+02 0.173028E+00
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4 0.777601E+01 0.461830E+00
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5 0.243759E+01 0.500000E+00
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P 1
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1 0.576178E+00 1.0000000
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P 1
|
|
1 0.152688E+00 1.0000000
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P 1
|
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1 0.384260E-01 1.0000000
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SULFUR
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S 5
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1 0.917104E+04 0.566118E-02
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2 0.137977E+04 0.424022E-01
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3 0.313601E+03 0.191374E+00
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4 0.876232E+02 0.500000E+00
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5 0.274763E+02 0.464087E+00
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S 2
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1 0.405605E+01 0.500000E+00
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2 0.147491E+01 0.236690E+00
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S 1
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1 0.383989E+00 1.0000000
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S 1
|
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1 0.138619E+00 1.0000000
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S 1
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1 0.466710E-01 1.0000000
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P 5
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1 0.863401E+03 0.156686E-02
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2 0.132831E+03 0.271886E-01
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3 0.307489E+02 0.172897E+00
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4 0.919940E+01 0.466899E+00
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5 0.292129E+01 0.500000E+00
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P 1
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1 0.690074E+00 1.0000000
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P 1
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|
1 0.180666E+00 1.0000000
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P 1
|
|
1 0.451660E-01 1.0000000
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|
CHLORINE
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S 5
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1 0.104359E+05 0.562223E-02
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2 0.157002E+04 0.421306E-01
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3 0.356863E+03 0.190529E+00
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4 0.997786E+02 0.500000E+00
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5 0.313557E+02 0.468034E+00
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S 2
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1 0.464874E+01 0.500000E+00
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2 0.169061E+01 0.222192E+00
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|
S 1
|
|
1 0.476585E+00 1.0000000
|
|
S 1
|
|
1 0.170974E+00 1.0000000
|
|
S 1
|
|
1 0.572300E-01 1.0000000
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|
P 5
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|
1 0.100918E+04 0.151895E-02
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|
2 0.155259E+03 0.265288E-01
|
|
3 0.360186E+02 0.170633E+00
|
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4 0.108279E+02 0.467436E+00
|
|
5 0.348178E+01 0.500000E+00
|
|
P 1
|
|
1 0.839567E+00 1.0000000
|
|
P 1
|
|
1 0.218893E+00 1.0000000
|
|
P 1
|
|
1 0.547230E-01 1.0000000
|
|
|
|
ARGON
|
|
S 5
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|
1 0.117834E+05 0.558772E-02
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|
2 0.177268E+04 0.418897E-01
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|
3 0.402948E+03 0.189778E+00
|
|
4 0.112731E+03 0.500000E+00
|
|
5 0.354943E+02 0.471571E+00
|
|
S 2
|
|
1 0.528426E+01 0.500000E+00
|
|
2 0.191521E+01 0.210055E+00
|
|
S 1
|
|
1 0.577940E+00 1.0000000
|
|
S 1
|
|
1 0.205615E+00 1.0000000
|
|
S 1
|
|
1 0.682930E-01 1.0000000
|
|
P 5
|
|
1 0.116712E+04 0.147588E-02
|
|
2 0.179557E+03 0.259243E-01
|
|
3 0.417321E+02 0.168466E+00
|
|
4 0.125983E+02 0.467589E+00
|
|
5 0.409545E+01 0.500000E+00
|
|
P 1
|
|
1 0.100960E+01 1.0000000
|
|
P 1
|
|
1 0.263557E+00 1.0000000
|
|
P 1
|
|
1 0.658890E-01 1.0000000
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|
|
|
POTASSIUM
|
|
S 5
|
|
1 0.130832E+05 0.559126E-02
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2 0.196823E+04 0.419170E-01
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3 0.447410E+03 0.189941E+00
|
|
4 0.125228E+03 0.500000E+00
|
|
5 0.395119E+02 0.467990E+00
|
|
S 2
|
|
1 0.597289E+01 0.500000E+00
|
|
2 0.217856E+01 0.200243E+00
|
|
S 2
|
|
1 0.666023E+00 0.500000E+00
|
|
2 0.245475E+00 0.238315E+00
|
|
S 1
|
|
1 0.460449E-01 1.0000000
|
|
S 1
|
|
1 0.227000E-01 1.0000000
|
|
S 1
|
|
1 0.101870E-01 1.0000000
|
|
P 5
|
|
1 0.136382E+04 0.137277E-02
|
|
2 0.209819E+03 0.242911E-01
|
|
3 0.488776E+02 0.160133E+00
|
|
4 0.148326E+02 0.454837E+00
|
|
5 0.488009E+01 0.500000E+00
|
|
P 1
|
|
1 0.126924E+01 1.0000000
|
|
P 1
|
|
1 0.360129E+00 1.0000000
|
|
P 1
|
|
1 0.667000E-01 1.0000000
|
|
P 1
|
|
1 0.166750E-01 1.0000000
|
|
D 2
|
|
1 0.721100E+00 0.199630E+00
|
|
2 0.930355E-01 0.500000E+00
|
|
D 1
|
|
1 0.232590E-01 1.0000000
|
|
|
|
CALCIUM
|
|
S 5
|
|
1 0.145898E+05 0.555866E-02
|
|
2 0.219481E+04 0.416898E-01
|
|
3 0.498932E+03 0.189225E+00
|
|
4 0.139721E+03 0.500000E+00
|
|
5 0.441702E+02 0.471399E+00
|
|
S 2
|
|
1 0.669644E+01 0.500000E+00
|
|
2 0.244545E+01 0.191210E+00
|
|
S 2
|
|
1 0.787315E+00 0.500000E+00
|
|
2 0.305710E+00 0.221423E+00
|
|
S 1
|
|
1 0.626162E-01 1.0000000
|
|
S 1
|
|
1 0.260257E-01 1.0000000
|
|
S 1
|
|
1 0.998710E-02 1.0000000
|
|
P 5
|
|
1 0.157338E+04 0.129339E-02
|
|
2 0.242059E+03 0.230273E-01
|
|
3 0.564923E+02 0.153653E+00
|
|
4 0.172175E+02 0.444895E+00
|
|
5 0.572107E+01 0.500000E+00
|
|
P 1
|
|
1 0.154742E+01 1.0000000
|
|
P 1
|
|
1 0.464800E+00 1.0000000
|
|
P 1
|
|
1 0.871000E-01 1.0000000
|
|
P 1
|
|
1 0.217750E-01 1.0000000
|
|
D 2
|
|
1 0.109380E+01 0.214014E+00
|
|
2 0.157593E+00 0.500000E+00
|
|
D 1
|
|
1 0.393980E-01 1.0000000
|
|
|
|
SCANDIUM
|
|
S 5
|
|
1 0.161703E+05 0.553253E-02
|
|
2 0.243251E+04 0.415073E-01
|
|
3 0.552984E+03 0.188653E+00
|
|
4 0.154925E+03 0.500000E+00
|
|
5 0.490566E+02 0.473952E+00
|
|
S 2
|
|
1 0.747390E+01 0.500000E+00
|
|
2 0.271954E+01 0.183683E+00
|
|
S 2
|
|
1 0.918042E+00 0.500000E+00
|
|
2 0.358009E+00 0.224323E+00
|
|
S 1
|
|
1 0.735052E-01 1.0000000
|
|
S 1
|
|
1 0.298439E-01 1.0000000
|
|
S 1
|
|
1 0.112070E-01 1.0000000
|
|
P 5
|
|
1 0.178225E+04 0.125351E-02
|
|
2 0.274192E+03 0.224141E-01
|
|
3 0.640751E+02 0.150830E+00
|
|
4 0.195919E+02 0.441753E+00
|
|
5 0.655649E+01 0.500000E+00
|
|
P 1
|
|
1 0.180814E+01 1.0000000
|
|
P 1
|
|
1 0.548025E+00 1.0000000
|
|
P 1
|
|
1 0.103000E+00 1.0000000
|
|
P 1
|
|
1 0.257500E-01 1.0000000
|
|
D 3
|
|
1 0.103128E+02 0.716089E-01
|
|
2 0.258932E+01 0.290372E+00
|
|
3 0.727604E+00 0.500000E+00
|
|
D 1
|
|
1 0.177804E+00 1.0000000
|
|
D 1
|
|
1 0.444510E-01 1.0000000
|
|
|
|
TITANIUM
|
|
S 5
|
|
1 0.178293E+05 0.550959E-02
|
|
2 0.268202E+04 0.413470E-01
|
|
3 0.609722E+03 0.188150E+00
|
|
4 0.170888E+03 0.500000E+00
|
|
5 0.541927E+02 0.476130E+00
|
|
S 2
|
|
1 0.829865E+01 0.500000E+00
|
|
2 0.300772E+01 0.177523E+00
|
|
S 2
|
|
1 0.105621E+01 0.500000E+00
|
|
2 0.413871E+00 0.231514E+00
|
|
S 1
|
|
1 0.835851E-01 1.0000000
|
|
S 1
|
|
1 0.335901E-01 1.0000000
|
|
S 1
|
|
1 0.124950E-01 1.0000000
|
|
P 5
|
|
1 0.200124E+04 0.122296E-02
|
|
2 0.307883E+03 0.219483E-01
|
|
3 0.720268E+02 0.148763E+00
|
|
4 0.220847E+02 0.439779E+00
|
|
5 0.743460E+01 0.500000E+00
|
|
P 1
|
|
1 0.208126E+01 1.0000000
|
|
P 1
|
|
1 0.632641E+00 1.0000000
|
|
P 1
|
|
1 0.118900E+00 1.0000000
|
|
P 1
|
|
1 0.297250E-01 1.0000000
|
|
D 3
|
|
1 0.128531E+02 0.694569E-01
|
|
2 0.328824E+01 0.288291E+00
|
|
3 0.952819E+00 0.500000E+00
|
|
D 1
|
|
1 0.242696E+00 1.0000000
|
|
D 1
|
|
1 0.606740E-01 1.0000000
|
|
|
|
VANADIUM
|
|
S 5
|
|
1 0.195680E+05 0.548910E-02
|
|
2 0.294351E+04 0.412037E-01
|
|
3 0.669186E+03 0.187701E+00
|
|
4 0.187620E+03 0.500000E+00
|
|
5 0.595805E+02 0.478032E+00
|
|
S 2
|
|
1 0.917059E+01 0.500000E+00
|
|
2 0.331072E+01 0.172487E+00
|
|
S 2
|
|
1 0.120220E+01 0.500000E+00
|
|
2 0.471780E+00 0.239678E+00
|
|
S 1
|
|
1 0.936120E-01 1.0000000
|
|
S 1
|
|
1 0.371979E-01 1.0000000
|
|
S 1
|
|
1 0.136930E-01 1.0000000
|
|
P 5
|
|
1 0.223049E+04 0.119905E-02
|
|
2 0.343152E+03 0.215872E-01
|
|
3 0.803523E+02 0.147229E+00
|
|
4 0.246975E+02 0.438615E+00
|
|
5 0.835585E+01 0.500000E+00
|
|
P 1
|
|
1 0.236697E+01 1.0000000
|
|
P 1
|
|
1 0.719084E+00 1.0000000
|
|
P 1
|
|
1 0.135000E+00 1.0000000
|
|
P 1
|
|
1 0.337500E-01 1.0000000
|
|
D 3
|
|
1 0.151030E+02 0.694154E-01
|
|
2 0.390778E+01 0.289985E+00
|
|
3 0.114551E+01 0.500000E+00
|
|
D 1
|
|
1 0.294800E+00 1.0000000
|
|
D 1
|
|
1 0.737000E-01 1.0000000
|
|
|
|
CHROMIUM
|
|
S 5
|
|
1 0.213874E+05 0.547037E-02
|
|
2 0.321715E+04 0.410728E-01
|
|
3 0.731410E+03 0.187291E+00
|
|
4 0.205130E+03 0.500000E+00
|
|
5 0.652228E+02 0.479734E+00
|
|
S 2
|
|
1 0.100889E+02 0.500000E+00
|
|
2 0.362919E+01 0.168315E+00
|
|
S 2
|
|
1 0.135617E+01 0.500000E+00
|
|
2 0.532493E+00 0.247894E+00
|
|
S 1
|
|
1 0.103951E+00 1.0000000
|
|
S 1
|
|
1 0.407599E-01 1.0000000
|
|
S 1
|
|
1 0.148200E-01 1.0000000
|
|
P 5
|
|
1 0.247081E+04 0.117919E-02
|
|
2 0.380124E+03 0.212885E-01
|
|
3 0.890823E+02 0.145992E+00
|
|
4 0.274402E+02 0.437835E+00
|
|
5 0.932386E+01 0.500000E+00
|
|
P 1
|
|
1 0.266732E+01 1.0000000
|
|
P 1
|
|
1 0.808955E+00 1.0000000
|
|
P 1
|
|
1 0.151700E+00 1.0000000
|
|
P 1
|
|
1 0.379250E-01 1.0000000
|
|
D 3
|
|
1 0.173580E+02 0.698037E-01
|
|
2 0.453001E+01 0.292400E+00
|
|
3 0.133679E+01 0.500000E+00
|
|
D 1
|
|
1 0.345047E+00 1.0000000
|
|
D 1
|
|
1 0.862620E-01 1.0000000
|
|
|
|
MANGANESE
|
|
S 5
|
|
1 0.232850E+05 0.545382E-02
|
|
2 0.350252E+04 0.409570E-01
|
|
3 0.796308E+03 0.186928E+00
|
|
4 0.223398E+03 0.500000E+00
|
|
5 0.711145E+02 0.481208E+00
|
|
S 2
|
|
1 0.110538E+02 0.500000E+00
|
|
2 0.396362E+01 0.164826E+00
|
|
S 2
|
|
1 0.151764E+01 0.500000E+00
|
|
2 0.595318E+00 0.256193E+00
|
|
S 1
|
|
1 0.113896E+00 1.0000000
|
|
S 1
|
|
1 0.440964E-01 1.0000000
|
|
S 1
|
|
1 0.158460E-01 1.0000000
|
|
P 5
|
|
1 0.272192E+04 0.116281E-02
|
|
2 0.418758E+03 0.210443E-01
|
|
3 0.982054E+02 0.145026E+00
|
|
4 0.303087E+02 0.437429E+00
|
|
5 0.103372E+02 0.500000E+00
|
|
P 1
|
|
1 0.298139E+01 1.0000000
|
|
P 1
|
|
1 0.901581E+00 1.0000000
|
|
P 1
|
|
1 0.168900E+00 1.0000000
|
|
P 1
|
|
1 0.422250E-01 1.0000000
|
|
D 3
|
|
1 0.198001E+02 0.697849E-01
|
|
2 0.520597E+01 0.293780E+00
|
|
3 0.154630E+01 0.500000E+00
|
|
D 1
|
|
1 0.401104E+00 1.0000000
|
|
D 1
|
|
1 0.100280E+00 1.0000000
|
|
|
|
IRON
|
|
S 5
|
|
1 0.252592E+05 0.543915E-02
|
|
2 0.379944E+04 0.408544E-01
|
|
3 0.863830E+03 0.186607E+00
|
|
4 0.242405E+03 0.500000E+00
|
|
5 0.772487E+02 0.482436E+00
|
|
S 2
|
|
1 0.120647E+02 0.500000E+00
|
|
2 0.431466E+01 0.161822E+00
|
|
S 2
|
|
1 0.168790E+01 0.500000E+00
|
|
2 0.660377E+00 0.262366E+00
|
|
S 1
|
|
1 0.118358E+00 1.0000000
|
|
S 1
|
|
1 0.442398E-01 1.0000000
|
|
S 1
|
|
1 0.153860E-01 1.0000000
|
|
P 5
|
|
1 0.298552E+04 0.114765E-02
|
|
2 0.459311E+03 0.208166E-01
|
|
3 0.107785E+03 0.144104E+00
|
|
4 0.333249E+02 0.436929E+00
|
|
5 0.114052E+02 0.500000E+00
|
|
P 1
|
|
1 0.331456E+01 1.0000000
|
|
P 1
|
|
1 0.100096E+01 1.0000000
|
|
P 1
|
|
1 0.187700E+00 1.0000000
|
|
P 1
|
|
1 0.469250E-01 1.0000000
|
|
D 3
|
|
1 0.217274E+02 0.723073E-01
|
|
2 0.573550E+01 0.300682E+00
|
|
3 0.169638E+01 0.500000E+00
|
|
D 1
|
|
1 0.430782E+00 1.0000000
|
|
D 1
|
|
1 0.107700E+00 1.0000000
|
|
|
|
COBALT
|
|
S 5
|
|
1 0.273163E+05 0.542515E-02
|
|
2 0.410882E+04 0.407564E-01
|
|
3 0.934187E+03 0.186299E+00
|
|
4 0.262215E+03 0.500000E+00
|
|
5 0.836474E+02 0.483646E+00
|
|
S 2
|
|
1 0.131203E+02 0.500000E+00
|
|
2 0.468159E+01 0.159204E+00
|
|
S 2
|
|
1 0.186501E+01 0.500000E+00
|
|
2 0.730926E+00 0.268070E+00
|
|
S 1
|
|
1 0.125623E+00 1.0000000
|
|
S 1
|
|
1 0.461192E-01 1.0000000
|
|
S 1
|
|
1 0.157730E-01 1.0000000
|
|
P 5
|
|
1 0.326177E+04 0.113340E-02
|
|
2 0.501811E+03 0.206005E-01
|
|
3 0.117827E+03 0.143204E+00
|
|
4 0.364895E+02 0.436335E+00
|
|
5 0.125273E+02 0.500000E+00
|
|
P 1
|
|
1 0.366666E+01 1.0000000
|
|
P 1
|
|
1 0.110756E+01 1.0000000
|
|
P 1
|
|
1 0.207100E+00 1.0000000
|
|
P 1
|
|
1 0.517750E-01 1.0000000
|
|
D 3
|
|
1 0.243491E+02 0.724862E-01
|
|
2 0.646822E+01 0.301955E+00
|
|
3 0.192279E+01 0.500000E+00
|
|
D 1
|
|
1 0.490008E+00 1.0000000
|
|
D 1
|
|
1 0.122500E+00 1.0000000
|
|
|
|
NICKEL
|
|
S 5
|
|
1 0.294529E+05 0.541233E-02
|
|
2 0.443014E+04 0.406668E-01
|
|
3 0.100725E+04 0.186019E+00
|
|
4 0.282786E+03 0.500000E+00
|
|
5 0.902951E+02 0.484704E+00
|
|
S 2
|
|
1 0.142222E+02 0.500000E+00
|
|
2 0.506450E+01 0.156965E+00
|
|
S 2
|
|
1 0.205052E+01 0.500000E+00
|
|
2 0.802228E+00 0.273801E+00
|
|
S 1
|
|
1 0.132493E+00 1.0000000
|
|
S 1
|
|
1 0.476550E-01 1.0000000
|
|
S 1
|
|
1 0.159900E-01 1.0000000
|
|
P 5
|
|
1 0.354836E+04 0.112176E-02
|
|
2 0.545902E+03 0.204266E-01
|
|
3 0.128246E+03 0.142525E+00
|
|
4 0.397750E+02 0.436092E+00
|
|
5 0.136926E+02 0.500000E+00
|
|
P 1
|
|
1 0.403133E+01 1.0000000
|
|
P 1
|
|
1 0.121570E+01 1.0000000
|
|
P 1
|
|
1 0.227100E+00 1.0000000
|
|
P 1
|
|
1 0.567750E-01 1.0000000
|
|
D 3
|
|
1 0.268768E+02 0.732312E-01
|
|
2 0.717113E+01 0.304455E+00
|
|
3 0.213436E+01 0.500000E+00
|
|
D 1
|
|
1 0.541807E+00 1.0000000
|
|
D 1
|
|
1 0.135450E+00 1.0000000
|
|
|
|
COPPER
|
|
S 5
|
|
1 0.316705E+05 0.540040E-02
|
|
2 0.476364E+04 0.405834E-01
|
|
3 0.108309E+04 0.185758E+00
|
|
4 0.304140E+03 0.500000E+00
|
|
5 0.971990E+02 0.485691E+00
|
|
S 2
|
|
1 0.153696E+02 0.500000E+00
|
|
2 0.546337E+01 0.155012E+00
|
|
S 2
|
|
1 0.224409E+01 0.500000E+00
|
|
2 0.876231E+00 0.279178E+00
|
|
S 1
|
|
1 0.140181E+00 1.0000000
|
|
S 1
|
|
1 0.495777E-01 1.0000000
|
|
S 1
|
|
1 0.163760E-01 1.0000000
|
|
P 5
|
|
1 0.384647E+04 0.111143E-02
|
|
2 0.591765E+03 0.202722E-01
|
|
3 0.139086E+03 0.141931E+00
|
|
4 0.431954E+02 0.435928E+00
|
|
5 0.149065E+02 0.500000E+00
|
|
P 1
|
|
1 0.441153E+01 1.0000000
|
|
P 1
|
|
1 0.132795E+01 1.0000000
|
|
P 1
|
|
1 0.247800E+00 1.0000000
|
|
P 1
|
|
1 0.619500E-01 1.0000000
|
|
D 3
|
|
1 0.295042E+02 0.739092E-01
|
|
2 0.790221E+01 0.306732E+00
|
|
3 0.235399E+01 0.500000E+00
|
|
D 1
|
|
1 0.595459E+00 1.0000000
|
|
D 1
|
|
1 0.148860E+00 1.0000000
|
|
|
|
ZINC
|
|
S 5
|
|
1 0.339706E+05 0.538892E-02
|
|
2 0.510950E+04 0.405035E-01
|
|
3 0.116172E+04 0.185510E+00
|
|
4 0.326277E+03 0.500000E+00
|
|
5 0.104357E+03 0.486606E+00
|
|
S 2
|
|
1 0.165630E+02 0.500000E+00
|
|
2 0.587874E+01 0.153303E+00
|
|
S 2
|
|
1 0.244516E+01 0.500000E+00
|
|
2 0.952195E+00 0.284479E+00
|
|
S 1
|
|
1 0.147778E+00 1.0000000
|
|
S 1
|
|
1 0.515787E-01 1.0000000
|
|
S 1
|
|
1 0.168280E-01 1.0000000
|
|
P 5
|
|
1 0.415548E+04 0.110259E-02
|
|
2 0.639305E+03 0.201415E-01
|
|
3 0.150323E+03 0.141454E+00
|
|
4 0.467434E+02 0.435922E+00
|
|
5 0.161665E+02 0.500000E+00
|
|
P 1
|
|
1 0.480586E+01 1.0000000
|
|
P 1
|
|
1 0.144330E+01 1.0000000
|
|
P 1
|
|
1 0.269000E+00 1.0000000
|
|
P 1
|
|
1 0.672500E-01 1.0000000
|
|
D 3
|
|
1 0.323067E+02 0.743046E-01
|
|
2 0.868314E+01 0.308350E+00
|
|
3 0.259028E+01 0.500000E+00
|
|
D 1
|
|
1 0.654279E+00 1.0000000
|
|
D 1
|
|
1 0.163570E+00 1.0000000
|
|
|
|
GALLIUM
|
|
S 5
|
|
1 0.363773E+05 0.537573E-02
|
|
2 0.547153E+04 0.404098E-01
|
|
3 0.124408E+04 0.185205E+00
|
|
4 0.349489E+03 0.500000E+00
|
|
5 0.111879E+03 0.488164E+00
|
|
S 2
|
|
1 0.177903E+02 0.500000E+00
|
|
2 0.629476E+01 0.151586E+00
|
|
S 2
|
|
1 0.265497E+01 0.500000E+00
|
|
2 0.106231E+01 0.285338E+00
|
|
S 1
|
|
1 0.191646E+00 1.0000000
|
|
S 1
|
|
1 0.708267E-01 1.0000000
|
|
S 1
|
|
1 0.243740E-01 1.0000000
|
|
P 5
|
|
1 0.480937E+04 0.118001E-02
|
|
2 0.739903E+03 0.217295E-01
|
|
3 0.174261E+03 0.155608E+00
|
|
4 0.544216E+02 0.500000E+00
|
|
5 0.190063E+02 0.631905E+00
|
|
P 1
|
|
1 0.600554E+01 1.0000000
|
|
P 1
|
|
1 0.201356E+01 1.0000000
|
|
P 1
|
|
1 0.469000E+00 1.0000000
|
|
P 1
|
|
1 0.952768E-01 1.0000000
|
|
P 1
|
|
1 0.238190E-01 1.0000000
|
|
D 4
|
|
1 0.378061E+02 0.688101E-01
|
|
2 0.102778E+02 0.296053E+00
|
|
3 0.314535E+01 0.500000E+00
|
|
4 0.844242E+00 0.410738E+00
|
|
D 1
|
|
1 0.215060E+00 1.0000000
|
|
|
|
GERMANIUM
|
|
S 5
|
|
1 0.388760E+05 0.536204E-02
|
|
2 0.584722E+04 0.403146E-01
|
|
3 0.132950E+04 0.184898E+00
|
|
4 0.373553E+03 0.500000E+00
|
|
5 0.119676E+03 0.489719E+00
|
|
S 2
|
|
1 0.190606E+02 0.500000E+00
|
|
2 0.672259E+01 0.149933E+00
|
|
S 2
|
|
1 0.287195E+01 0.500000E+00
|
|
2 0.117438E+01 0.281147E+00
|
|
S 1
|
|
1 0.236642E+00 1.0000000
|
|
S 1
|
|
1 0.899879E-01 1.0000000
|
|
S 1
|
|
1 0.318010E-01 1.0000000
|
|
P 5
|
|
1 0.518056E+04 0.116891E-02
|
|
2 0.797009E+03 0.215572E-01
|
|
3 0.187777E+03 0.154885E+00
|
|
4 0.587052E+02 0.500000E+00
|
|
5 0.205479E+02 0.634305E+00
|
|
P 1
|
|
1 0.652477E+01 1.0000000
|
|
P 1
|
|
1 0.220664E+01 1.0000000
|
|
P 1
|
|
1 0.511000E+00 1.0000000
|
|
P 1
|
|
1 0.122501E+00 1.0000000
|
|
P 1
|
|
1 0.306250E-01 1.0000000
|
|
D 4
|
|
1 0.432969E+02 0.649968E-01
|
|
2 0.118744E+02 0.287319E+00
|
|
3 0.370176E+01 0.500000E+00
|
|
4 0.103722E+01 0.400160E+00
|
|
D 1
|
|
1 0.275200E+00 1.0000000
|
|
|
|
ARSENIC
|
|
S 5
|
|
1 0.414573E+05 0.534934E-02
|
|
2 0.623549E+04 0.402244E-01
|
|
3 0.141782E+04 0.184604E+00
|
|
4 0.398438E+03 0.500000E+00
|
|
5 0.127741E+03 0.491216E+00
|
|
S 2
|
|
1 0.203742E+02 0.500000E+00
|
|
2 0.716240E+01 0.148407E+00
|
|
S 2
|
|
1 0.309741E+01 0.500000E+00
|
|
2 0.128955E+01 0.273740E+00
|
|
S 1
|
|
1 0.284271E+00 1.0000000
|
|
S 1
|
|
1 0.109343E+00 1.0000000
|
|
S 1
|
|
1 0.390540E-01 1.0000000
|
|
P 5
|
|
1 0.556818E+04 0.115805E-02
|
|
2 0.856643E+03 0.213881E-01
|
|
3 0.201893E+03 0.154166E+00
|
|
4 0.631826E+02 0.500000E+00
|
|
5 0.221628E+02 0.636958E+00
|
|
P 1
|
|
1 0.707183E+01 1.0000000
|
|
P 1
|
|
1 0.241602E+01 1.0000000
|
|
P 1
|
|
1 0.557000E+00 1.0000000
|
|
P 1
|
|
1 0.148522E+00 1.0000000
|
|
P 1
|
|
1 0.375980E-01 1.0000000
|
|
D 4
|
|
1 0.489627E+02 0.619762E-01
|
|
2 0.135260E+02 0.280283E+00
|
|
3 0.427883E+01 0.500000E+00
|
|
4 0.123949E+01 0.391598E+00
|
|
D 1
|
|
1 0.339390E+00 1.0000000
|
|
|
|
SELENIUM
|
|
S 5
|
|
1 0.441241E+05 0.533714E-02
|
|
2 0.663647E+04 0.401393E-01
|
|
3 0.150900E+04 0.184329E+00
|
|
4 0.424133E+03 0.500000E+00
|
|
5 0.136076E+03 0.492651E+00
|
|
S 2
|
|
1 0.217310E+02 0.500000E+00
|
|
2 0.761347E+01 0.146990E+00
|
|
S 2
|
|
1 0.333225E+01 0.500000E+00
|
|
2 0.140837E+01 0.264638E+00
|
|
S 1
|
|
1 0.336699E+00 1.0000000
|
|
S 1
|
|
1 0.129977E+00 1.0000000
|
|
S 1
|
|
1 0.465790E-01 1.0000000
|
|
P 5
|
|
1 0.596914E+04 0.114802E-02
|
|
2 0.918330E+03 0.212313E-01
|
|
3 0.216497E+03 0.153495E+00
|
|
4 0.678177E+02 0.500000E+00
|
|
5 0.238370E+02 0.639381E+00
|
|
P 1
|
|
1 0.763937E+01 1.0000000
|
|
P 1
|
|
1 0.263778E+01 1.0000000
|
|
P 1
|
|
1 0.608000E+00 1.0000000
|
|
P 1
|
|
1 0.166809E+00 1.0000000
|
|
P 1
|
|
1 0.433850E-01 1.0000000
|
|
D 4
|
|
1 0.548664E+02 0.594593E-01
|
|
2 0.152510E+02 0.274341E+00
|
|
3 0.488382E+01 0.500000E+00
|
|
4 0.145378E+01 0.384935E+00
|
|
D 1
|
|
1 0.408430E+00 1.0000000
|
|
|
|
BROMINE
|
|
S 5
|
|
1 0.468800E+05 0.532523E-02
|
|
2 0.705094E+04 0.400548E-01
|
|
3 0.160327E+04 0.184052E+00
|
|
4 0.450699E+03 0.500000E+00
|
|
5 0.144692E+03 0.494110E+00
|
|
S 2
|
|
1 0.231311E+02 0.500000E+00
|
|
2 0.807598E+01 0.145679E+00
|
|
S 2
|
|
1 0.357717E+01 0.500000E+00
|
|
2 0.152961E+01 0.254553E+00
|
|
S 1
|
|
1 0.392431E+00 1.0000000
|
|
S 1
|
|
1 0.152005E+00 1.0000000
|
|
S 1
|
|
1 0.546450E-01 1.0000000
|
|
P 5
|
|
1 0.638732E+04 0.113812E-02
|
|
2 0.982665E+03 0.210755E-01
|
|
3 0.231731E+03 0.152818E+00
|
|
4 0.726558E+02 0.500000E+00
|
|
5 0.255881E+02 0.642077E+00
|
|
P 1
|
|
1 0.823605E+01 1.0000000
|
|
P 1
|
|
1 0.287693E+01 1.0000000
|
|
P 1
|
|
1 0.662528E+00 1.0000000
|
|
P 1
|
|
1 0.187299E+00 1.0000000
|
|
P 1
|
|
1 0.501160E-01 1.0000000
|
|
D 4
|
|
1 0.609727E+02 0.573683E-01
|
|
2 0.170383E+02 0.269369E+00
|
|
3 0.551215E+01 0.500000E+00
|
|
4 0.167805E+01 0.379195E+00
|
|
D 1
|
|
1 0.481530E+00 1.0000000
|
|
|
|
KRYPTON
|
|
S 5
|
|
1 0.497248E+05 0.531340E-02
|
|
2 0.747870E+04 0.399721E-01
|
|
3 0.170053E+04 0.183783E+00
|
|
4 0.478101E+03 0.500000E+00
|
|
5 0.153581E+03 0.495533E+00
|
|
S 2
|
|
1 0.245749E+02 0.500000E+00
|
|
2 0.855004E+01 0.144476E+00
|
|
S 2
|
|
1 0.383300E+01 0.500000E+00
|
|
2 0.165396E+01 0.244341E+00
|
|
S 1
|
|
1 0.451718E+00 1.0000000
|
|
S 1
|
|
1 0.175172E+00 1.0000000
|
|
S 1
|
|
1 0.630410E-01 1.0000000
|
|
P 5
|
|
1 0.682266E+04 0.112843E-02
|
|
2 0.104964E+04 0.209225E-01
|
|
3 0.247593E+03 0.152145E+00
|
|
4 0.776977E+02 0.500000E+00
|
|
5 0.274168E+02 0.645004E+00
|
|
P 1
|
|
1 0.886134E+01 1.0000000
|
|
P 1
|
|
1 0.313353E+01 1.0000000
|
|
P 1
|
|
1 0.722266E+00 1.0000000
|
|
P 1
|
|
1 0.209422E+00 1.0000000
|
|
P 1
|
|
1 0.573940E-01 1.0000000
|
|
D 4
|
|
1 0.672956E+02 0.555939E-01
|
|
2 0.188916E+02 0.265131E+00
|
|
3 0.616528E+01 0.500000E+00
|
|
4 0.191274E+01 0.374207E+00
|
|
D 1
|
|
1 0.558750E+00 1.0000000
|
|
|
|
|