mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 10:03:47 +01:00
522 lines
21 KiB
Plaintext
522 lines
21 KiB
Plaintext
POTASSIUM
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S 7
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1 0.11700E+05 0.66806E-02
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2 0.17627E+04 0.49297E-01
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3 0.40300E+03 0.21643E+00
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4 0.11520E+03 0.50000E+00
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5 0.37693E+02 0.43209E+00
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6 0.51906E+01 0.21821E-01
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7 0.51212E+00 -0.34634E-02
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S 7
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1 0.11700E+05 -0.84480E-03
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2 0.17627E+04 -0.68033E-02
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3 0.40300E+03 -0.28680E-01
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4 0.11520E+03 -0.99591E-01
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5 0.37693E+02 -0.80208E-01
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6 0.51906E+01 0.50000E+00
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7 0.51212E+00 0.44969E-01
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S 7
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1 0.11700E+05 0.27396E-03
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2 0.17627E+04 0.22356E-02
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3 0.40300E+03 0.93160E-02
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4 0.11520E+03 0.34039E-01
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5 0.37693E+02 0.27069E-01
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6 0.51906E+01 -0.27541E+00
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7 0.51212E+00 0.50000E+00
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S 7
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1 0.11700E+05 0.16212E-03
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2 0.17627E+04 0.13221E-02
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3 0.40300E+03 0.55206E-02
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4 0.11520E+03 0.20179E-01
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5 0.37693E+02 0.16240E-01
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6 0.51906E+01 -0.17421E+00
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7 0.51212E+00 0.50000E+00
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S 1
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1 0.34289E-01 1.0000000
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S 1
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1 0.11430E-01 1.0000000
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P 6
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1 0.20292E+03 0.26919E-01
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2 0.47229E+02 0.16901E+00
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3 0.14320E+02 0.46749E+00
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4 0.47180E+01 0.50000E+00
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5 0.11465E+01 0.77563E-01
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6 0.33359E+00 -0.15304E-01
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P 6
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1 0.20292E+03 -0.71552E-02
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2 0.47229E+02 -0.45049E-01
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3 0.14320E+02 -0.14000E+00
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4 0.47180E+01 -0.11626E+00
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5 0.11465E+01 0.42769E+00
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6 0.33359E+00 0.50000E+00
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P 1
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1 0.66700E-01 1.0000000
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P 1
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1 0.16675E-01 1.0000000
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CALCIUM
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S 7
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1 0.13100E+05 0.66249E-02
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2 0.19736E+04 0.48908E-01
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3 0.45122E+03 0.21524E+00
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4 0.12902E+03 0.50000E+00
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5 0.42226E+02 0.43720E+00
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6 0.59019E+01 0.22828E-01
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7 0.62065E+00 -0.38011E-02
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S 7
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1 0.13100E+05 -0.84491E-03
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2 0.19736E+04 -0.67975E-02
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3 0.45122E+03 -0.28786E-01
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4 0.12902E+03 -0.10001E+00
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5 0.42226E+02 -0.82929E-01
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6 0.59019E+01 0.50000E+00
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7 0.62065E+00 0.46934E-01
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S 7
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1 0.13100E+05 0.28173E-03
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2 0.19736E+04 0.22976E-02
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3 0.45122E+03 0.96153E-02
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4 0.12902E+03 0.35205E-01
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5 0.42226E+02 0.28853E-01
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6 0.59019E+01 -0.28622E+00
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7 0.62065E+00 0.50000E+00
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S 7
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1 0.13100E+05 0.16173E-03
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2 0.19736E+04 0.13195E-02
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3 0.45122E+03 0.55252E-02
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4 0.12902E+03 0.20293E-01
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5 0.42226E+02 0.16750E-01
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6 0.59019E+01 -0.17702E+00
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7 0.62065E+00 0.50000E+00
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S 1
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1 0.48923E-01 1.0000000
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S 1
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1 0.16308E-01 1.0000000
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P 6
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1 0.23476E+03 0.25391E-01
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2 0.54750E+02 0.16141E+00
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3 0.16675E+02 0.45563E+00
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4 0.55491E+01 0.50000E+00
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5 0.14127E+01 0.83328E-01
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6 0.43559E+00 -0.15832E-01
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P 6
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1 0.23476E+03 -0.72251E-02
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2 0.54750E+02 -0.46231E-01
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3 0.16675E+02 -0.14603E+00
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4 0.55491E+01 -0.12928E+00
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5 0.14127E+01 0.42412E+00
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6 0.43559E+00 0.50000E+00
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P 1
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1 0.87100E-01 1.0000000
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P 1
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1 0.21775E-01 1.0000000
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GALLIUM
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S 7
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1 0.32518E+05 0.64796E-02
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2 0.48984E+04 0.47895E-01
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3 0.11205E+04 0.21257E+00
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4 0.32165E+03 0.50000E+00
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5 0.10652E+03 0.45042E+00
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6 0.16461E+02 0.26287E-01
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7 0.19606E+01 -0.43419E-02
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S 7
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1 0.32518E+05 -0.86979E-03
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2 0.48984E+04 -0.69755E-02
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3 0.11205E+04 -0.30065E-01
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4 0.32165E+03 -0.10477E+00
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5 0.10652E+03 -0.93282E-01
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6 0.16461E+02 0.50000E+00
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7 0.19606E+01 0.45974E-01
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S 7
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1 0.32518E+05 0.30313E-03
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2 0.48984E+04 0.24867E-02
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3 0.11205E+04 0.10459E-01
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4 0.32165E+03 0.39426E-01
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5 0.10652E+03 0.33267E-01
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6 0.16461E+02 -0.30729E+00
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7 0.19606E+01 0.50000E+00
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S 7
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1 0.32518E+05 0.17542E-03
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2 0.48984E+04 0.14405E-02
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3 0.11205E+04 0.60576E-02
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4 0.32165E+03 0.22957E-01
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5 0.10652E+03 0.19463E-01
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6 0.16461E+02 -0.19306E+00
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7 0.19606E+01 0.50000E+00
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S 1
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1 0.13897E+00 1.0000000
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S 1
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1 0.46323E-01 1.0000000
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P 6
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1 0.66913E+03 0.22011E-01
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2 0.15739E+03 0.14768E+00
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3 0.49046E+02 0.44246E+00
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4 0.17088E+02 0.50000E+00
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5 0.48489E+01 0.85190E-01
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6 0.15404E+01 -0.11890E-01
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P 6
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1 0.66913E+03 -0.70070E-02
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2 0.15739E+03 -0.47280E-01
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3 0.49046E+02 -0.16133E+00
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4 0.17088E+02 -0.14368E+00
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5 0.48489E+01 0.41775E+00
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6 0.15404E+01 0.50000E+00
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P 6
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1 0.66913E+03 -0.60655E-02
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2 0.15739E+03 -0.42072E-01
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3 0.49046E+02 -0.13980E+00
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4 0.17088E+02 -0.13597E+00
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5 0.48489E+01 0.50000E+00
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6 0.15404E+01 0.35834E+00
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P 1
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1 0.11947E+00 1.0000000
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P 1
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1 0.29868E-01 1.0000000
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D 4
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1 0.37511E+02 0.69317E-01
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2 0.10190E+02 0.29699E+00
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3 0.31145E+01 0.50000E+00
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4 0.83319E+00 0.41181E+00
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GERMANIUM
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S 7
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1 0.34756E+05 0.64652E-02
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2 0.52355E+04 0.47793E-01
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3 0.11976E+04 0.21227E+00
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4 0.34385E+03 0.50000E+00
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5 0.11393E+03 0.45186E+00
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6 0.17697E+02 0.26657E-01
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7 0.21448E+01 -0.45014E-02
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S 7
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1 0.34756E+05 -0.87051E-03
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2 0.52355E+04 -0.69796E-02
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3 0.11976E+04 -0.30121E-01
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4 0.34385E+03 -0.10501E+00
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5 0.11393E+03 -0.94135E-01
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6 0.17697E+02 0.50000E+00
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7 0.21448E+01 0.46990E-01
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S 7
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1 0.34756E+05 0.30600E-03
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2 0.52355E+04 0.25095E-02
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3 0.11976E+04 0.10570E-01
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4 0.34385E+03 0.39864E-01
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5 0.11393E+03 0.33925E-01
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6 0.17697E+02 -0.31100E+00
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7 0.21448E+01 0.50000E+00
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S 7
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1 0.34756E+05 0.17397E-03
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2 0.52355E+04 0.14287E-02
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3 0.11976E+04 0.60144E-02
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4 0.34385E+03 0.22822E-01
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5 0.11393E+03 0.19492E-01
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6 0.17697E+02 -0.19266E+00
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7 0.21448E+01 0.50000E+00
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S 1
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1 0.17441E+00 1.0000000
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S 1
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1 0.58135E-01 1.0000000
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P 6
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1 0.72452E+03 0.21519E-01
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2 0.17051E+03 0.14503E+00
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3 0.53205E+02 0.43776E+00
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4 0.18584E+02 0.50000E+00
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5 0.53391E+01 0.87780E-01
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6 0.17314E+01 -0.12215E-01
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P 6
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1 0.72452E+03 -0.68930E-02
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2 0.17051E+03 -0.46759E-01
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3 0.53205E+02 -0.16055E+00
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4 0.18584E+02 -0.14650E+00
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5 0.53391E+01 0.40654E+00
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6 0.17314E+01 0.50000E+00
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P 6
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1 0.72452E+03 -0.59909E-02
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2 0.17051E+03 -0.41854E-01
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3 0.53205E+02 -0.13975E+00
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4 0.18584E+02 -0.13987E+00
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5 0.53391E+01 0.50000E+00
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6 0.17314E+01 0.36023E+00
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P 1
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1 0.16012E+00 1.0000000
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P 1
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1 0.40029E-01 1.0000000
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D 4
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1 0.43059E+02 0.65306E-01
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2 0.11804E+02 0.28779E+00
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3 0.36775E+01 0.50000E+00
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4 0.10291E+01 0.40102E+00
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ARSENIC
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S 7
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1 0.37076E+05 0.64504E-02
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2 0.55849E+04 0.47689E-01
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3 0.12775E+04 0.21196E+00
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4 0.36685E+03 0.50000E+00
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5 0.12160E+03 0.45330E+00
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6 0.18979E+02 0.27025E-01
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7 0.23416E+01 -0.46585E-02
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S 7
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1 0.37076E+05 -0.87102E-03
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2 0.55849E+04 -0.69822E-02
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3 0.12775E+04 -0.30170E-01
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4 0.36685E+03 -0.10522E+00
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5 0.12160E+03 -0.94974E-01
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6 0.18979E+02 0.50000E+00
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7 0.23416E+01 0.47958E-01
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S 7
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1 0.37076E+05 0.30870E-03
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2 0.55849E+04 0.25309E-02
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3 0.12775E+04 0.10677E-01
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4 0.36685E+03 0.40279E-01
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5 0.12160E+03 0.34578E-01
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6 0.18979E+02 -0.31468E+00
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7 0.23416E+01 0.50000E+00
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S 7
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1 0.37076E+05 0.17282E-03
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2 0.55849E+04 0.14192E-02
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3 0.12775E+04 0.59809E-02
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4 0.36685E+03 0.22726E-01
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5 0.12160E+03 0.19551E-01
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6 0.18979E+02 -0.19261E+00
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7 0.23416E+01 0.50000E+00
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S 1
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1 0.21089E+00 1.0000000
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S 1
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1 0.70295E-01 1.0000000
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P 6
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1 0.78136E+03 0.21115E-01
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2 0.18397E+03 0.14286E+00
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3 0.57480E+02 0.43386E+00
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4 0.20130E+02 0.50000E+00
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5 0.58418E+01 0.90099E-01
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6 0.19352E+01 -0.12582E-01
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P 6
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1 0.78136E+03 -0.68265E-02
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2 0.18397E+03 -0.46501E-01
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3 0.57480E+02 -0.16061E+00
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4 0.20130E+02 -0.14916E+00
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5 0.58418E+01 0.39850E+00
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6 0.19352E+01 0.50000E+00
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P 6
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1 0.78136E+03 -0.59138E-02
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2 0.18397E+03 -0.41566E-01
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3 0.57480E+02 -0.13940E+00
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4 0.20130E+02 -0.14268E+00
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5 0.58418E+01 0.50000E+00
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6 0.19352E+01 0.35672E+00
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P 1
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1 0.20202E+00 1.0000000
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P 1
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1 0.50504E-01 1.0000000
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D 4
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1 0.48794E+02 0.62126E-01
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2 0.13477E+02 0.28036E+00
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3 0.42626E+01 0.50000E+00
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4 0.12350E+01 0.39254E+00
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SELENIUM
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S 7
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1 0.39475E+05 0.64361E-02
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2 0.59461E+04 0.47590E-01
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3 0.13602E+04 0.21165E+00
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4 0.39064E+03 0.50000E+00
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5 0.12953E+03 0.45473E+00
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6 0.20309E+02 0.27392E-01
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7 0.25506E+01 -0.48156E-02
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S 7
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1 0.39475E+05 -0.87145E-03
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2 0.59461E+04 -0.69843E-02
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3 0.13602E+04 -0.30215E-01
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4 0.39064E+03 -0.10542E+00
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5 0.12953E+03 -0.95798E-01
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6 0.20309E+02 0.50000E+00
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7 0.25506E+01 0.48904E-01
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S 7
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1 0.39475E+05 0.31130E-03
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2 0.59461E+04 0.25513E-02
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3 0.13602E+04 0.10780E-01
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4 0.39064E+03 0.40677E-01
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5 0.12953E+03 0.35226E-01
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6 0.20309E+02 -0.31831E+00
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7 0.25506E+01 0.50000E+00
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S 7
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1 0.39475E+05 0.17182E-03
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2 0.59461E+04 0.14111E-02
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3 0.13602E+04 0.59528E-02
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4 0.39064E+03 0.22647E-01
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5 0.12953E+03 0.19626E-01
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6 0.20309E+02 -0.19275E+00
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7 0.25506E+01 0.50000E+00
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S 1
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1 0.24979E+00 1.0000000
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S 1
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1 0.83263E-01 1.0000000
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P 6
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1 0.83900E+03 0.20814E-01
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2 0.19762E+03 0.14130E+00
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3 0.61821E+02 0.43103E+00
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4 0.21706E+02 0.50000E+00
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5 0.63458E+01 0.91969E-01
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6 0.21475E+01 -0.12998E-01
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P 6
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1 0.83900E+03 -0.68145E-02
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2 0.19762E+03 -0.46557E-01
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3 0.61821E+02 -0.16168E+00
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4 0.21706E+02 -0.15159E+00
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5 0.63458E+01 0.39440E+00
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6 0.21475E+01 0.50000E+00
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P 6
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1 0.83900E+03 -0.58001E-02
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2 0.19762E+03 -0.40994E-01
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3 0.61821E+02 -0.13788E+00
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4 0.21706E+02 -0.14360E+00
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5 0.63458E+01 0.50000E+00
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6 0.21475E+01 0.33994E+00
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P 1
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1 0.24524E+00 1.0000000
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P 1
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1 0.61310E-01 1.0000000
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D 4
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1 0.54720E+02 0.59557E-01
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2 0.15209E+02 0.27431E+00
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3 0.48700E+01 0.50000E+00
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4 0.14509E+01 0.38567E+00
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BROMINE
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S 7
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1 0.41956E+05 0.64215E-02
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2 0.63198E+04 0.47487E-01
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3 0.14457E+04 0.21134E+00
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4 0.41524E+03 0.50000E+00
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5 0.13773E+03 0.45616E+00
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6 0.21686E+02 0.27752E-01
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7 0.27710E+01 -0.49678E-02
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S 7
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1 0.41956E+05 -0.87170E-03
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2 0.63198E+04 -0.69847E-02
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3 0.14457E+04 -0.30252E-01
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4 0.41524E+03 -0.10560E+00
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5 0.13773E+03 -0.96604E-01
|
|
6 0.21686E+02 0.50000E+00
|
|
7 0.27710E+01 0.49789E-01
|
|
S 7
|
|
1 0.41956E+05 0.31368E-03
|
|
2 0.63198E+04 0.25700E-02
|
|
3 0.14457E+04 0.10875E-01
|
|
4 0.41524E+03 0.41048E-01
|
|
5 0.13773E+03 0.35855E-01
|
|
6 0.21686E+02 -0.32181E+00
|
|
7 0.27710E+01 0.50000E+00
|
|
S 7
|
|
1 0.41956E+05 0.17100E-03
|
|
2 0.63198E+04 0.14043E-02
|
|
3 0.14457E+04 0.59304E-02
|
|
4 0.41524E+03 0.22591E-01
|
|
5 0.13773E+03 0.19718E-01
|
|
6 0.21686E+02 -0.19307E+00
|
|
7 0.27710E+01 0.50000E+00
|
|
S 1
|
|
1 0.29002E+00 1.0000000
|
|
S 1
|
|
1 0.96674E-01 1.0000000
|
|
P 6
|
|
1 0.89656E+03 0.20639E-01
|
|
2 0.21126E+03 0.14047E+00
|
|
3 0.66163E+02 0.42956E+00
|
|
4 0.23291E+02 0.50000E+00
|
|
5 0.68373E+01 0.93239E-01
|
|
6 0.23641E+01 -0.13486E-01
|
|
P 6
|
|
1 0.89656E+03 -0.68701E-02
|
|
2 0.21126E+03 -0.47007E-01
|
|
3 0.66163E+02 -0.16402E+00
|
|
4 0.23291E+02 -0.15377E+00
|
|
5 0.68373E+01 0.39517E+00
|
|
6 0.23641E+01 0.50000E+00
|
|
P 6
|
|
1 0.89656E+03 -0.56951E-02
|
|
2 0.21126E+03 -0.40391E-01
|
|
3 0.66163E+02 -0.13628E+00
|
|
4 0.23291E+02 -0.14269E+00
|
|
5 0.68373E+01 0.50000E+00
|
|
6 0.23641E+01 0.32013E+00
|
|
P 1
|
|
1 0.29044E+00 1.0000000
|
|
P 1
|
|
1 0.72610E-01 1.0000000
|
|
D 4
|
|
1 0.60862E+02 0.57410E-01
|
|
2 0.17007E+02 0.26921E+00
|
|
3 0.55023E+01 0.50000E+00
|
|
4 0.16773E+01 0.37994E+00
|
|
|
|
KRYPTON
|
|
S 7
|
|
1 0.44517E+05 0.64072E-02
|
|
2 0.67055E+04 0.47387E-01
|
|
3 0.15339E+04 0.21103E+00
|
|
4 0.44062E+03 0.50000E+00
|
|
5 0.14618E+03 0.45755E+00
|
|
6 0.23110E+02 0.28105E-01
|
|
7 0.30025E+01 -0.51152E-02
|
|
S 7
|
|
1 0.44517E+05 -0.87186E-03
|
|
2 0.67055E+04 -0.69845E-02
|
|
3 0.15339E+04 -0.30286E-01
|
|
4 0.44062E+03 -0.10576E+00
|
|
5 0.14618E+03 -0.97387E-01
|
|
6 0.23110E+02 0.50000E+00
|
|
7 0.30025E+01 0.50619E-01
|
|
S 7
|
|
1 0.44517E+05 0.31589E-03
|
|
2 0.67055E+04 0.25872E-02
|
|
3 0.15339E+04 0.10963E-01
|
|
4 0.44062E+03 0.41394E-01
|
|
5 0.14618E+03 0.36463E-01
|
|
6 0.23110E+02 -0.32515E+00
|
|
7 0.30025E+01 0.50000E+00
|
|
S 7
|
|
1 0.44517E+05 0.17032E-03
|
|
2 0.67055E+04 0.13987E-02
|
|
3 0.15339E+04 0.59124E-02
|
|
4 0.44062E+03 0.22551E-01
|
|
5 0.14618E+03 0.19820E-01
|
|
6 0.23110E+02 -0.19352E+00
|
|
7 0.30025E+01 0.50000E+00
|
|
S 1
|
|
1 0.33188E+00 1.0000000
|
|
S 1
|
|
1 0.11063E+00 1.0000000
|
|
P 6
|
|
1 0.95381E+03 0.20576E-01
|
|
2 0.22482E+03 0.14031E+00
|
|
3 0.70490E+02 0.42930E+00
|
|
4 0.24881E+02 0.50000E+00
|
|
5 0.73138E+01 0.93974E-01
|
|
6 0.25832E+01 -0.14047E-01
|
|
P 6
|
|
1 0.95381E+03 -0.69883E-02
|
|
2 0.22482E+03 -0.47830E-01
|
|
3 0.70490E+02 -0.16755E+00
|
|
4 0.24881E+02 -0.15577E+00
|
|
5 0.73138E+01 0.40050E+00
|
|
6 0.25832E+01 0.50000E+00
|
|
P 6
|
|
1 0.95381E+03 -0.56004E-02
|
|
2 0.22482E+03 -0.39776E-01
|
|
3 0.70490E+02 -0.13466E+00
|
|
4 0.24881E+02 -0.14021E+00
|
|
5 0.73138E+01 0.50000E+00
|
|
6 0.25832E+01 0.29866E+00
|
|
P 1
|
|
1 0.33864E+00 1.0000000
|
|
P 1
|
|
1 0.84661E-01 1.0000000
|
|
D 4
|
|
1 0.67223E+02 0.55591E-01
|
|
2 0.18872E+02 0.26487E+00
|
|
3 0.61596E+01 0.50000E+00
|
|
4 0.19141E+01 0.37507E+00
|
|
|
|
|