mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-30 08:05:51 +01:00
1092 lines
34 KiB
Plaintext
1092 lines
34 KiB
Plaintext
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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 0.348419E+00 0.211103E+00
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2 0.624984E-01 0.500000E+00
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P 1
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1 0.156250E-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 0.577631E+00 0.214621E+00
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2 0.102459E+00 0.500000E+00
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P 1
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1 0.256150E-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 2
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1 0.282800E+01 0.116029E+00
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2 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 2
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1 0.441211E+01 0.121453E+00
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2 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 2
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1 0.632227E+01 0.125145E+00
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2 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 2
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1 0.830553E+01 0.131199E+00
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2 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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||
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1 0.100900E+00 1.0000000
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P 2
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1 0.107104E+02 0.134427E+00
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2 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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|
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1 0.436813E+00 1.0000000
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S 1
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1 0.124890E+00 1.0000000
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P 2
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1 0.134777E+02 0.136398E+00
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2 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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|
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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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|
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1 0.618218E-01 1.0000000
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|
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S 1
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|
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1 0.264778E-01 1.0000000
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S 1
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|
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1 0.104460E-01 1.0000000
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P 4
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1 0.379392E+02 0.527666E-01
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2 0.845240E+01 0.277265E+00
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3 0.233229E+01 0.587698E+00
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4 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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||
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|
P 4
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1 0.496039E+02 0.497541E-01
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2 0.111546E+02 0.269127E+00
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3 0.313780E+01 0.594773E+00
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4 0.862606E+00 0.500000E+00
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P 1
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||
|
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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 0.587437E+04 0.581317E-02
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2 0.883912E+03 0.434598E-01
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3 0.200849E+03 0.194637E+00
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4 0.559707E+02 0.500000E+00
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5 0.174077E+02 0.449417E+00
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S 2
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1 0.253372E+01 0.500000E+00
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2 0.886703E+00 0.297736E+00
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S 1
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|
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1 0.161366E+00 1.0000000
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S 1
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|
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1 0.600294E-01 1.0000000
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S 1
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|
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1 0.207850E-01 1.0000000
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P 4
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1 0.792503E+02 0.287146E-01
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2 0.182089E+02 0.169809E+00
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3 0.536338E+01 0.446794E+00
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|
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4 0.163164E+01 0.500000E+00
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P 1
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|
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1 0.401500E+00 1.0000000
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P 1
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|
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1 0.887626E-01 1.0000000
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P 1
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|
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1 0.221910E-01 1.0000000
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SILICON
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S 5
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1 0.689054E+04 0.575535E-02
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2 0.103676E+04 0.430578E-01
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3 0.235605E+03 0.193401E+00
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4 0.657222E+02 0.500000E+00
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5 0.205033E+02 0.454881E+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 0.274557E+00
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S 1
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|
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1 0.226898E+00 1.0000000
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|
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S 1
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||
|
|
1 0.835968E-01 1.0000000
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|
S 1
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|
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1 0.286860E-01 1.0000000
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|
|
P 4
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|
|
1 0.951996E+02 0.286510E-01
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2 0.219339E+02 0.171450E+00
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3 0.649656E+01 0.455919E+00
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|
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4 0.200737E+01 0.500000E+00
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P 1
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|
|
1 0.480900E+00 1.0000000
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||
|
|
P 1
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||
|
|
1 0.120188E+00 1.0000000
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||
|
|
P 1
|
||
|
|
1 0.300470E-01 1.0000000
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||
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|
|
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PHOSPHORUS
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S 5
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1 0.798859E+04 0.570561E-02
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|
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2 0.120192E+04 0.427117E-01
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|
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3 0.273160E+03 0.192333E+00
|
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|
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4 0.762651E+02 0.500000E+00
|
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|
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5 0.238568E+02 0.459671E+00
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|
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S 2
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|
|
1 0.350612E+01 0.500000E+00
|
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|
|
2 0.126862E+01 0.253998E+00
|
||
|
|
S 1
|
||
|
|
1 0.300248E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.109046E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.369220E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.113070E+03 0.284202E-01
|
||
|
|
2 0.261164E+02 0.172025E+00
|
||
|
|
3 0.777596E+01 0.462740E+00
|
||
|
|
4 0.243758E+01 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.576173E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.152687E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.384260E-01 1.0000000
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||
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|
|
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SULFUR
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||
|
|
S 5
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||
|
|
1 0.917084E+04 0.566136E-02
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|
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2 0.137976E+04 0.424018E-01
|
||
|
|
3 0.313602E+03 0.191373E+00
|
||
|
|
4 0.876230E+02 0.500000E+00
|
||
|
|
5 0.274763E+02 0.464086E+00
|
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|
|
S 2
|
||
|
|
1 0.405603E+01 0.500000E+00
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||
|
|
2 0.147487E+01 0.236684E+00
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||
|
|
S 1
|
||
|
|
1 0.383987E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.138617E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.466700E-01 1.0000000
|
||
|
|
P 4
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||
|
|
1 0.132830E+03 0.280980E-01
|
||
|
|
2 0.307488E+02 0.171907E+00
|
||
|
|
3 0.919935E+01 0.467809E+00
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||
|
|
4 0.292127E+01 0.500000E+00
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||
|
|
P 1
|
||
|
|
1 0.690066E+00 1.0000000
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||
|
|
P 1
|
||
|
|
1 0.180663E+00 1.0000000
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||
|
|
P 1
|
||
|
|
1 0.451660E-01 1.0000000
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||
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|
|
||
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CHLORINE
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||
|
|
S 5
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||
|
|
1 0.104362E+05 0.562206E-02
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||
|
|
2 0.157006E+04 0.421295E-01
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||
|
|
3 0.356871E+03 0.190526E+00
|
||
|
|
4 0.997801E+02 0.500000E+00
|
||
|
|
5 0.313560E+02 0.468042E+00
|
||
|
|
S 2
|
||
|
|
1 0.464874E+01 0.500000E+00
|
||
|
|
2 0.169060E+01 0.222191E+00
|
||
|
|
S 1
|
||
|
|
1 0.476587E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.170975E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.572310E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.155255E+03 0.274215E-01
|
||
|
|
2 0.360178E+02 0.169676E+00
|
||
|
|
3 0.108277E+02 0.468349E+00
|
||
|
|
4 0.348174E+01 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.839562E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.218892E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.547230E-01 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 5
|
||
|
|
1 0.117833E+05 0.558774E-02
|
||
|
|
2 0.177267E+04 0.418900E-01
|
||
|
|
3 0.402946E+03 0.189779E+00
|
||
|
|
4 0.112730E+03 0.500000E+00
|
||
|
|
5 0.354943E+02 0.471569E+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 4
|
||
|
|
1 0.179557E+03 0.267987E-01
|
||
|
|
2 0.417322E+02 0.167528E+00
|
||
|
|
3 0.125983E+02 0.468493E+00
|
||
|
|
4 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
|
||
|
|
|
||
|
|
POTASSIUM
|
||
|
|
S 5
|
||
|
|
1 0.130794E+05 0.559126E-02
|
||
|
|
2 0.196765E+04 0.419172E-01
|
||
|
|
3 0.447275E+03 0.189941E+00
|
||
|
|
4 0.125182E+03 0.500000E+00
|
||
|
|
5 0.394983E+02 0.467618E+00
|
||
|
|
S 2
|
||
|
|
1 0.597721E+01 0.500000E+00
|
||
|
|
2 0.218090E+01 0.197943E+00
|
||
|
|
S 2
|
||
|
|
1 0.668445E+00 0.500000E+00
|
||
|
|
2 0.240628E+00 0.248837E+00
|
||
|
|
S 1
|
||
|
|
1 0.348075E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.188000E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.916420E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.184114E+03 0.309362E-01
|
||
|
|
2 0.426813E+02 0.189365E+00
|
||
|
|
3 0.128189E+02 0.500000E+00
|
||
|
|
4 0.415826E+01 0.448607E+00
|
||
|
|
P 1
|
||
|
|
1 0.643709E+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 0.145885E+05 0.555806E-02
|
||
|
|
2 0.219462E+04 0.416851E-01
|
||
|
|
3 0.498889E+03 0.189206E+00
|
||
|
|
4 0.139700E+03 0.500000E+00
|
||
|
|
5 0.441637E+02 0.471177E+00
|
||
|
|
S 2
|
||
|
|
1 0.670205E+01 0.500000E+00
|
||
|
|
2 0.244880E+01 0.189212E+00
|
||
|
|
S 2
|
||
|
|
1 0.790305E+00 0.500000E+00
|
||
|
|
2 0.304833E+00 0.233068E+00
|
||
|
|
S 1
|
||
|
|
1 0.548866E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.225113E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.853290E-02 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.209884E+03 0.302638E-01
|
||
|
|
2 0.487414E+02 0.186986E+00
|
||
|
|
3 0.146989E+02 0.500000E+00
|
||
|
|
4 0.481560E+01 0.449733E+00
|
||
|
|
P 1
|
||
|
|
1 0.806767E+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 0.161712E+05 0.553131E-02
|
||
|
|
2 0.243264E+04 0.414982E-01
|
||
|
|
3 0.553017E+03 0.188618E+00
|
||
|
|
4 0.154926E+03 0.500000E+00
|
||
|
|
5 0.490575E+02 0.473857E+00
|
||
|
|
S 2
|
||
|
|
1 0.747894E+01 0.500000E+00
|
||
|
|
2 0.272350E+01 0.181762E+00
|
||
|
|
S 2
|
||
|
|
1 0.921573E+00 0.500000E+00
|
||
|
|
2 0.358536E+00 0.232311E+00
|
||
|
|
S 1
|
||
|
|
1 0.667442E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.270223E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.101210E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.236705E+03 0.297699E-01
|
||
|
|
2 0.550506E+02 0.185328E+00
|
||
|
|
3 0.166597E+02 0.500000E+00
|
||
|
|
4 0.550046E+01 0.448898E+00
|
||
|
|
P 1
|
||
|
|
1 0.956833E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.103000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.257500E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.969590E+01 0.775670E-01
|
||
|
|
2 0.242441E+01 0.302166E+00
|
||
|
|
3 0.668779E+00 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.157119E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.392800E-01 1.0000000
|
||
|
|
|
||
|
|
TITANIUM
|
||
|
|
S 5
|
||
|
|
1 0.178310E+05 0.550824E-02
|
||
|
|
2 0.268228E+04 0.413370E-01
|
||
|
|
3 0.609786E+03 0.188112E+00
|
||
|
|
4 0.170897E+03 0.500000E+00
|
||
|
|
5 0.541956E+02 0.476068E+00
|
||
|
|
S 2
|
||
|
|
1 0.830406E+01 0.500000E+00
|
||
|
|
2 0.301148E+01 0.175686E+00
|
||
|
|
S 2
|
||
|
|
1 0.106069E+01 0.500000E+00
|
||
|
|
2 0.413874E+00 0.239022E+00
|
||
|
|
S 1
|
||
|
|
1 0.767442E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.309583E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.115560E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.264789E+03 0.293753E-01
|
||
|
|
2 0.616590E+02 0.184049E+00
|
||
|
|
3 0.187163E+02 0.500000E+00
|
||
|
|
4 0.621862E+01 0.447381E+00
|
||
|
|
P 1
|
||
|
|
1 0.110720E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.118900E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.297250E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.122409E+02 0.743052E-01
|
||
|
|
2 0.312757E+01 0.298000E+00
|
||
|
|
3 0.892862E+00 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.218065E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.545160E-01 1.0000000
|
||
|
|
|
||
|
|
VANADIUM
|
||
|
|
S 5
|
||
|
|
1 0.195738E+05 0.548666E-02
|
||
|
|
2 0.294433E+04 0.411874E-01
|
||
|
|
3 0.669361E+03 0.187645E+00
|
||
|
|
4 0.187654E+03 0.500000E+00
|
||
|
|
5 0.595895E+02 0.478054E+00
|
||
|
|
S 2
|
||
|
|
1 0.917681E+01 0.500000E+00
|
||
|
|
2 0.331589E+01 0.170838E+00
|
||
|
|
S 2
|
||
|
|
1 0.121000E+01 0.500000E+00
|
||
|
|
2 0.473846E+00 0.249551E+00
|
||
|
|
S 1
|
||
|
|
1 0.870151E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.349811E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.130160E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.294271E+03 0.290403E-01
|
||
|
|
2 0.685977E+02 0.182990E+00
|
||
|
|
3 0.208780E+02 0.500000E+00
|
||
|
|
4 0.697393E+01 0.445678E+00
|
||
|
|
P 1
|
||
|
|
1 0.126354E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.135000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.337500E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.145468E+02 0.734038E-01
|
||
|
|
2 0.376431E+01 0.298067E+00
|
||
|
|
3 0.109010E+01 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.270364E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.675910E-01 1.0000000
|
||
|
|
|
||
|
|
CHROMIUM
|
||
|
|
S 5
|
||
|
|
1 0.213896E+05 0.546921E-02
|
||
|
|
2 0.321745E+04 0.410647E-01
|
||
|
|
3 0.731488E+03 0.187257E+00
|
||
|
|
4 0.205146E+03 0.500000E+00
|
||
|
|
5 0.652297E+02 0.479711E+00
|
||
|
|
S 2
|
||
|
|
1 0.100947E+02 0.500000E+00
|
||
|
|
2 0.363251E+01 0.166628E+00
|
||
|
|
S 2
|
||
|
|
1 0.136374E+01 0.500000E+00
|
||
|
|
2 0.532846E+00 0.255870E+00
|
||
|
|
S 1
|
||
|
|
1 0.977497E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.389661E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.143860E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.325168E+03 0.287548E-01
|
||
|
|
2 0.758770E+02 0.182091E+00
|
||
|
|
3 0.231503E+02 0.500000E+00
|
||
|
|
4 0.776841E+01 0.444069E+00
|
||
|
|
P 1
|
||
|
|
1 0.142693E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.151700E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.379250E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.168260E+02 0.732860E-01
|
||
|
|
2 0.439418E+01 0.299560E+00
|
||
|
|
3 0.128260E+01 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.320197E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.800490E-01 1.0000000
|
||
|
|
|
||
|
|
MANGANESE
|
||
|
|
S 5
|
||
|
|
1 0.232900E+05 0.545211E-02
|
||
|
|
2 0.350329E+04 0.409445E-01
|
||
|
|
3 0.796489E+03 0.186879E+00
|
||
|
|
4 0.223439E+03 0.500000E+00
|
||
|
|
5 0.711274E+02 0.481251E+00
|
||
|
|
S 2
|
||
|
|
1 0.110596E+02 0.500000E+00
|
||
|
|
2 0.396643E+01 0.163200E+00
|
||
|
|
S 2
|
||
|
|
1 0.152692E+01 0.500000E+00
|
||
|
|
2 0.595770E+00 0.264439E+00
|
||
|
|
S 1
|
||
|
|
1 0.108096E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.426473E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.155950E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.357499E+03 0.285052E-01
|
||
|
|
2 0.834920E+02 0.181329E+00
|
||
|
|
3 0.255293E+02 0.500000E+00
|
||
|
|
4 0.860073E+01 0.442415E+00
|
||
|
|
P 1
|
||
|
|
1 0.159655E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.168900E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.422250E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.192813E+02 0.728888E-01
|
||
|
|
2 0.507441E+01 0.300401E+00
|
||
|
|
3 0.149214E+01 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.375490E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.938720E-01 1.0000000
|
||
|
|
|
||
|
|
IRON
|
||
|
|
S 5
|
||
|
|
1 0.252667E+05 0.543705E-02
|
||
|
|
2 0.380058E+04 0.408391E-01
|
||
|
|
3 0.864093E+03 0.186550E+00
|
||
|
|
4 0.242468E+03 0.500000E+00
|
||
|
|
5 0.772698E+02 0.482546E+00
|
||
|
|
S 2
|
||
|
|
1 0.120698E+02 0.500000E+00
|
||
|
|
2 0.431611E+01 0.159875E+00
|
||
|
|
S 2
|
||
|
|
1 0.169739E+01 0.500000E+00
|
||
|
|
2 0.662665E+00 0.268734E+00
|
||
|
|
S 1
|
||
|
|
1 0.114235E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.435678E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.154390E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.391291E+03 0.282821E-01
|
||
|
|
2 0.914546E+02 0.180652E+00
|
||
|
|
3 0.280195E+02 0.500000E+00
|
||
|
|
4 0.947390E+01 0.440802E+00
|
||
|
|
P 1
|
||
|
|
1 0.177911E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.187700E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.469250E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.214241E+02 0.745419E-01
|
||
|
|
2 0.566812E+01 0.305269E+00
|
||
|
|
3 0.166763E+01 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.415057E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.103760E+00 1.0000000
|
||
|
|
|
||
|
|
COBALT
|
||
|
|
S 5
|
||
|
|
1 0.273235E+05 0.542330E-02
|
||
|
|
2 0.410991E+04 0.407428E-01
|
||
|
|
3 0.934441E+03 0.186248E+00
|
||
|
|
4 0.262275E+03 0.500000E+00
|
||
|
|
5 0.836663E+02 0.483728E+00
|
||
|
|
S 2
|
||
|
|
1 0.131262E+02 0.500000E+00
|
||
|
|
2 0.468214E+01 0.157691E+00
|
||
|
|
S 2
|
||
|
|
1 0.187602E+01 0.500000E+00
|
||
|
|
2 0.731522E+00 0.275168E+00
|
||
|
|
S 1
|
||
|
|
1 0.120690E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.447298E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.154340E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.426477E+03 0.280882E-01
|
||
|
|
2 0.997490E+02 0.180078E+00
|
||
|
|
3 0.306163E+02 0.500000E+00
|
||
|
|
4 0.103850E+02 0.439200E+00
|
||
|
|
P 1
|
||
|
|
1 0.196788E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.207100E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.517750E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.238504E+02 0.752198E-01
|
||
|
|
2 0.634337E+01 0.307736E+00
|
||
|
|
3 0.187108E+01 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.464174E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.116040E+00 1.0000000
|
||
|
|
|
||
|
|
NICKEL
|
||
|
|
S 5
|
||
|
|
1 0.294618E+05 0.541036E-02
|
||
|
|
2 0.443148E+04 0.406524E-01
|
||
|
|
3 0.100757E+04 0.185964E+00
|
||
|
|
4 0.282862E+03 0.500000E+00
|
||
|
|
5 0.903181E+02 0.484814E+00
|
||
|
|
S 2
|
||
|
|
1 0.142284E+02 0.500000E+00
|
||
|
|
2 0.506436E+01 0.155521E+00
|
||
|
|
S 2
|
||
|
|
1 0.206315E+01 0.500000E+00
|
||
|
|
2 0.803049E+00 0.280995E+00
|
||
|
|
S 1
|
||
|
|
1 0.127906E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.463250E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.156450E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.463143E+03 0.279126E-01
|
||
|
|
2 0.108394E+03 0.179562E+00
|
||
|
|
3 0.333251E+02 0.500000E+00
|
||
|
|
4 0.113358E+02 0.437724E+00
|
||
|
|
P 1
|
||
|
|
1 0.216442E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.227100E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.567750E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.263821E+02 0.757830E-01
|
||
|
|
2 0.704784E+01 0.309889E+00
|
||
|
|
3 0.208262E+01 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.515388E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.128850E+00 1.0000000
|
||
|
|
|
||
|
|
COPPER
|
||
|
|
S 5
|
||
|
|
1 0.316793E+05 0.539861E-02
|
||
|
|
2 0.476496E+04 0.405702E-01
|
||
|
|
3 0.108341E+04 0.185705E+00
|
||
|
|
4 0.304220E+03 0.500000E+00
|
||
|
|
5 0.972236E+02 0.485801E+00
|
||
|
|
S 2
|
||
|
|
1 0.153760E+02 0.500000E+00
|
||
|
|
2 0.546267E+01 0.153638E+00
|
||
|
|
S 2
|
||
|
|
1 0.225868E+01 0.500000E+00
|
||
|
|
2 0.877373E+00 0.286628E+00
|
||
|
|
S 1
|
||
|
|
1 0.135951E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.483524E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.160550E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.501281E+03 0.277537E-01
|
||
|
|
2 0.117389E+03 0.179100E+00
|
||
|
|
3 0.361460E+02 0.500000E+00
|
||
|
|
4 0.123265E+02 0.436368E+00
|
||
|
|
P 1
|
||
|
|
1 0.236909E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.247800E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.619500E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.290065E+02 0.763189E-01
|
||
|
|
2 0.777833E+01 0.311908E+00
|
||
|
|
3 0.230128E+01 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.568254E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.142060E+00 1.0000000
|
||
|
|
|
||
|
|
ZINC
|
||
|
|
S 5
|
||
|
|
1 0.339772E+05 0.538766E-02
|
||
|
|
2 0.511057E+04 0.404933E-01
|
||
|
|
3 0.116200E+04 0.185464E+00
|
||
|
|
4 0.326353E+03 0.500000E+00
|
||
|
|
5 0.104382E+03 0.486705E+00
|
||
|
|
S 2
|
||
|
|
1 0.165695E+02 0.500000E+00
|
||
|
|
2 0.587729E+01 0.151983E+00
|
||
|
|
S 2
|
||
|
|
1 0.246171E+01 0.500000E+00
|
||
|
|
2 0.953587E+00 0.292116E+00
|
||
|
|
S 1
|
||
|
|
1 0.143924E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.504977E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.165560E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.540828E+03 0.276127E-01
|
||
|
|
2 0.126719E+03 0.178698E+00
|
||
|
|
3 0.390746E+02 0.500000E+00
|
||
|
|
4 0.133557E+02 0.435039E+00
|
||
|
|
P 1
|
||
|
|
1 0.258060E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.269000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.672500E-01 1.0000000
|
||
|
|
D 3
|
||
|
|
1 0.318069E+02 0.765742E-01
|
||
|
|
2 0.855879E+01 0.313316E+00
|
||
|
|
3 0.253648E+01 0.500000E+00
|
||
|
|
D 1
|
||
|
|
1 0.626172E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.156540E+00 1.0000000
|
||
|
|
|
||
|
|
GALLIUM
|
||
|
|
S 5
|
||
|
|
1 0.363832E+05 0.537458E-02
|
||
|
|
2 0.547236E+04 0.404020E-01
|
||
|
|
3 0.124427E+04 0.185173E+00
|
||
|
|
4 0.349525E+03 0.500000E+00
|
||
|
|
5 0.111882E+03 0.488178E+00
|
||
|
|
S 2
|
||
|
|
1 0.177902E+02 0.500000E+00
|
||
|
|
2 0.629477E+01 0.151579E+00
|
||
|
|
S 2
|
||
|
|
1 0.265440E+01 0.500000E+00
|
||
|
|
2 0.106191E+01 0.285106E+00
|
||
|
|
S 1
|
||
|
|
1 0.191830E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.708992E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.244000E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.590765E+03 0.269015E-01
|
||
|
|
2 0.138526E+03 0.175534E+00
|
||
|
|
3 0.427719E+02 0.500000E+00
|
||
|
|
4 0.144142E+02 0.459202E+00
|
||
|
|
P 2
|
||
|
|
1 0.578255E+01 0.336699E+00
|
||
|
|
2 0.190383E+01 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.469000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.953941E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.238490E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 0.377978E+02 0.688352E-01
|
||
|
|
2 0.102757E+02 0.296067E+00
|
||
|
|
3 0.314520E+01 0.500000E+00
|
||
|
|
4 0.844304E+00 0.410965E+00
|
||
|
|
|
||
|
|
GERMANIUM
|
||
|
|
S 5
|
||
|
|
1 0.388783E+05 0.536147E-02
|
||
|
|
2 0.584760E+04 0.403097E-01
|
||
|
|
3 0.132962E+04 0.184873E+00
|
||
|
|
4 0.373574E+03 0.500000E+00
|
||
|
|
5 0.119675E+03 0.489703E+00
|
||
|
|
S 2
|
||
|
|
1 0.190606E+02 0.500000E+00
|
||
|
|
2 0.672257E+01 0.149927E+00
|
||
|
|
S 2
|
||
|
|
1 0.287134E+01 0.500000E+00
|
||
|
|
2 0.117391E+01 0.280916E+00
|
||
|
|
S 1
|
||
|
|
1 0.236832E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.900731E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.318350E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.635600E+03 0.267031E-01
|
||
|
|
2 0.149115E+03 0.174812E+00
|
||
|
|
3 0.461027E+02 0.500000E+00
|
||
|
|
4 0.155704E+02 0.460314E+00
|
||
|
|
P 2
|
||
|
|
1 0.628705E+01 0.336151E+00
|
||
|
|
2 0.208781E+01 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.511000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.122755E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.306890E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 0.432918E+02 0.650090E-01
|
||
|
|
2 0.118735E+02 0.287297E+00
|
||
|
|
3 0.370200E+01 0.500000E+00
|
||
|
|
4 0.103731E+01 0.400417E+00
|
||
|
|
|
||
|
|
ARSENIC
|
||
|
|
S 5
|
||
|
|
1 0.414610E+05 0.534865E-02
|
||
|
|
2 0.623600E+04 0.402196E-01
|
||
|
|
3 0.141795E+04 0.184580E+00
|
||
|
|
4 0.398463E+03 0.500000E+00
|
||
|
|
5 0.127741E+03 0.491213E+00
|
||
|
|
S 2
|
||
|
|
1 0.203741E+02 0.500000E+00
|
||
|
|
2 0.716232E+01 0.148399E+00
|
||
|
|
S 2
|
||
|
|
1 0.309666E+01 0.500000E+00
|
||
|
|
2 0.128886E+01 0.273464E+00
|
||
|
|
S 1
|
||
|
|
1 0.284441E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.109424E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.390880E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.682296E+03 0.265083E-01
|
||
|
|
2 0.160147E+03 0.174089E+00
|
||
|
|
3 0.495760E+02 0.500000E+00
|
||
|
|
4 0.167787E+02 0.461611E+00
|
||
|
|
P 2
|
||
|
|
1 0.681774E+01 0.335937E+00
|
||
|
|
2 0.228676E+01 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.557000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.148695E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.376830E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 0.489615E+02 0.619766E-01
|
||
|
|
2 0.135265E+02 0.280228E+00
|
||
|
|
3 0.427947E+01 0.500000E+00
|
||
|
|
4 0.123961E+01 0.391867E+00
|
||
|
|
|
||
|
|
SELENIUM
|
||
|
|
S 5
|
||
|
|
1 0.441310E+05 0.533617E-02
|
||
|
|
2 0.663752E+04 0.401318E-01
|
||
|
|
3 0.150926E+04 0.184295E+00
|
||
|
|
4 0.424191E+03 0.500000E+00
|
||
|
|
5 0.136083E+03 0.492695E+00
|
||
|
|
S 2
|
||
|
|
1 0.217308E+02 0.500000E+00
|
||
|
|
2 0.761334E+01 0.146978E+00
|
||
|
|
S 2
|
||
|
|
1 0.333147E+01 0.500000E+00
|
||
|
|
2 0.140758E+01 0.264374E+00
|
||
|
|
S 1
|
||
|
|
1 0.336841E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.130037E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.466020E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.730683E+03 0.263230E-01
|
||
|
|
2 0.171579E+03 0.173397E+00
|
||
|
|
3 0.531782E+02 0.500000E+00
|
||
|
|
4 0.180335E+02 0.462849E+00
|
||
|
|
P 2
|
||
|
|
1 0.736874E+01 0.336699E+00
|
||
|
|
2 0.249718E+01 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.608000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.166711E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.433350E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 0.548664E+02 0.594560E-01
|
||
|
|
2 0.152522E+02 0.274274E+00
|
||
|
|
3 0.488462E+01 0.500000E+00
|
||
|
|
4 0.145388E+01 0.385189E+00
|
||
|
|
|
||
|
|
BROMINE
|
||
|
|
S 5
|
||
|
|
1 0.468848E+05 0.532454E-02
|
||
|
|
2 0.705162E+04 0.400501E-01
|
||
|
|
3 0.160345E+04 0.184027E+00
|
||
|
|
4 0.450738E+03 0.500000E+00
|
||
|
|
5 0.144695E+03 0.494129E+00
|
||
|
|
S 2
|
||
|
|
1 0.231310E+02 0.500000E+00
|
||
|
|
2 0.807604E+01 0.145671E+00
|
||
|
|
S 2
|
||
|
|
1 0.357673E+01 0.500000E+00
|
||
|
|
2 0.152921E+01 0.254462E+00
|
||
|
|
S 1
|
||
|
|
1 0.392567E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.152061E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.546660E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.780979E+03 0.261402E-01
|
||
|
|
2 0.183466E+03 0.172703E+00
|
||
|
|
3 0.569267E+02 0.500000E+00
|
||
|
|
4 0.193422E+02 0.464252E+00
|
||
|
|
P 2
|
||
|
|
1 0.794632E+01 0.337645E+00
|
||
|
|
2 0.272289E+01 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.662528E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.186728E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.498190E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 0.609751E+02 0.573607E-01
|
||
|
|
2 0.170404E+02 0.269292E+00
|
||
|
|
3 0.551321E+01 0.500000E+00
|
||
|
|
4 0.167820E+01 0.379425E+00
|
||
|
|
|
||
|
|
KRYPTON
|
||
|
|
S 5
|
||
|
|
1 0.497228E+05 0.531350E-02
|
||
|
|
2 0.747846E+04 0.399720E-01
|
||
|
|
3 0.170053E+04 0.183772E+00
|
||
|
|
4 0.478103E+03 0.500000E+00
|
||
|
|
5 0.153577E+03 0.495503E+00
|
||
|
|
S 2
|
||
|
|
1 0.245755E+02 0.500000E+00
|
||
|
|
2 0.855124E+01 0.144506E+00
|
||
|
|
S 2
|
||
|
|
1 0.383235E+01 0.500000E+00
|
||
|
|
2 0.165324E+01 0.244141E+00
|
||
|
|
S 1
|
||
|
|
1 0.451884E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.175239E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.630660E-01 1.0000000
|
||
|
|
P 4
|
||
|
|
1 0.833270E+03 0.259578E-01
|
||
|
|
2 0.195825E+03 0.171999E+00
|
||
|
|
3 0.608271E+02 0.500000E+00
|
||
|
|
4 0.207066E+02 0.465842E+00
|
||
|
|
P 2
|
||
|
|
1 0.855102E+01 0.338680E+00
|
||
|
|
2 0.296419E+01 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.722266E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.208235E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.567630E-01 1.0000000
|
||
|
|
D 4
|
||
|
|
1 0.673487E+02 0.555383E-01
|
||
|
|
2 0.189103E+02 0.264899E+00
|
||
|
|
3 0.617329E+01 0.500000E+00
|
||
|
|
4 0.191513E+01 0.375069E+00
|
||
|
|
|
||
|
|
|