mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-29 07:35:48 +01:00
1092 lines
33 KiB
Plaintext
1092 lines
33 KiB
Plaintext
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HYDROGEN
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S 4
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1 0.242090E+06 0.768560E-04
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2 0.968361E+04 0.345606E-02
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3 0.774689E+03 0.613071E-01
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4 0.116159E+03 0.500000E+00
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S 1
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1 0.264490E+02 1.0000000
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S 1
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1 0.750149E+01 1.0000000
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S 1
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1 0.245685E+01 1.0000000
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S 1
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1 0.887743E+00 1.0000000
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S 1
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1 0.340847E+00 1.0000000
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S 1
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1 0.134773E+00 1.0000000
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S 1
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1 0.522633E-01 1.0000000
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S 1
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1 0.188000E-01 1.0000000
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P 1
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1 0.390000E+02 1.0000000
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P 1
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1 0.650000E+01 1.0000000
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P 1
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1 0.155000E+01 1.0000000
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P 1
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1 0.550000E+00 1.0000000
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P 1
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1 0.200000E+00 1.0000000
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P 1
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1 0.563990E-01 1.0000000
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D 1
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1 0.117000E+02 1.0000000
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D 1
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1 0.195000E+01 1.0000000
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D 1
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1 0.650000E+00 1.0000000
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D 1
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1 0.751990E-01 1.0000000
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F 1
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1 0.220000E+01 1.0000000
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F 1
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1 0.939990E-01 1.0000000
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HELIUM
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S 4
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1 0.677320E+06 0.770363E-04
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2 0.270928E+05 0.346306E-02
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3 0.216742E+04 0.614313E-01
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4 0.324988E+03 0.500000E+00
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S 1
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1 0.739935E+02 1.0000000
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S 1
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1 0.209754E+02 1.0000000
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S 1
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1 0.684520E+01 1.0000000
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S 1
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1 0.243945E+01 1.0000000
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S 1
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1 0.902506E+00 1.0000000
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S 1
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1 0.333134E+00 1.0000000
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S 1
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1 0.124133E+00 1.0000000
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S 1
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1 0.430400E-01 1.0000000
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P 1
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1 0.642000E+02 1.0000000
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P 1
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1 0.107000E+02 1.0000000
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P 1
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1 0.255000E+01 1.0000000
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P 1
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1 0.900000E+00 1.0000000
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P 1
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1 0.330000E+00 1.0000000
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P 1
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1 0.129100E+00 1.0000000
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D 1
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1 0.192000E+02 1.0000000
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D 1
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1 0.320000E+01 1.0000000
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D 1
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1 0.107000E+01 1.0000000
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D 1
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1 0.172200E+00 1.0000000
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F 1
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1 0.320000E+01 1.0000000
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F 1
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1 0.215200E+00 1.0000000
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BORON
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S 7
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1 0.179421E+08 0.983400E-06
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2 0.717685E+06 0.442971E-04
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3 0.574148E+05 0.786788E-03
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4 0.860153E+04 0.641770E-02
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5 0.195779E+04 0.334906E-01
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6 0.554611E+03 0.140541E+00
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7 0.181051E+03 0.500000E+00
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S 1
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1 0.654909E+02 1.0000000
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S 1
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1 0.255994E+02 1.0000000
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S 1
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1 0.105323E+02 1.0000000
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S 1
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1 0.444648E+01 1.0000000
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S 1
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1 0.188320E+01 1.0000000
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S 1
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1 0.698312E+00 1.0000000
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S 1
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1 0.343100E+00 1.0000000
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S 1
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1 0.142760E+00 1.0000000
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S 1
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1 0.581574E-01 1.0000000
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S 1
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1 0.219100E-01 1.0000000
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P 3
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1 0.585723E+03 0.297824E-02
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2 0.901112E+02 0.576889E-01
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3 0.211653E+02 0.500000E+00
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P 1
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1 0.656183E+01 1.0000000
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P 1
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1 0.256465E+01 1.0000000
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P 1
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1 0.105104E+01 1.0000000
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P 1
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1 0.451929E+00 1.0000000
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P 1
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1 0.194682E+00 1.0000000
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P 1
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1 0.832120E-01 1.0000000
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P 1
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1 0.332973E-01 1.0000000
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P 1
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1 0.123400E-01 1.0000000
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D 1
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1 0.220000E+02 1.0000000
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D 1
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1 0.400000E+01 1.0000000
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D 1
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1 0.105000E+01 1.0000000
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D 1
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1 0.400000E+00 1.0000000
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D 1
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1 0.150000E+00 1.0000000
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D 1
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1 0.370100E-01 1.0000000
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F 1
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1 0.420000E+01 1.0000000
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F 1
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1 0.120000E+01 1.0000000
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F 1
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1 0.520000E+00 1.0000000
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F 1
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1 0.493500E-01 1.0000000
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G 1
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1 0.130000E+01 1.0000000
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G 1
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1 0.616800E-01 1.0000000
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CARBON
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S 7
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1 0.272316E+08 0.979800E-06
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2 0.108927E+07 0.441346E-04
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3 0.871412E+05 0.784056E-03
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4 0.130520E+05 0.639707E-02
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5 0.297061E+04 0.333869E-01
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6 0.841460E+03 0.140202E+00
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7 0.274589E+03 0.500000E+00
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S 1
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1 0.992150E+02 1.0000000
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S 1
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1 0.386940E+02 1.0000000
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S 1
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1 0.159109E+02 1.0000000
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S 1
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1 0.676677E+01 1.0000000
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S 1
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1 0.289837E+01 1.0000000
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S 1
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1 0.112459E+01 1.0000000
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S 1
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1 0.514464E+00 1.0000000
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S 1
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1 0.211760E+00 1.0000000
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S 1
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1 0.850172E-01 1.0000000
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S 1
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1 0.316050E-01 1.0000000
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P 3
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1 0.963557E+03 0.290977E-02
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2 0.148240E+03 0.568381E-01
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3 0.349117E+02 0.500000E+00
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P 1
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1 0.108936E+02 1.0000000
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P 1
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|
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1 0.419336E+01 1.0000000
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|
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P 1
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|
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1 0.171343E+01 1.0000000
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P 1
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|
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1 0.735662E+00 1.0000000
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P 1
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1 0.316374E+00 1.0000000
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P 1
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1 0.132416E+00 1.0000000
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P 1
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1 0.519006E-01 1.0000000
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P 1
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1 0.188730E-01 1.0000000
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D 1
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1 0.286000E+02 1.0000000
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D 1
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1 0.520000E+01 1.0000000
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D 1
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1 0.135000E+01 1.0000000
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D 1
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1 0.520000E+00 1.0000000
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D 1
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1 0.200000E+00 1.0000000
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D 1
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1 0.566190E-01 1.0000000
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F 1
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1 0.525000E+01 1.0000000
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F 1
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1 0.150000E+01 1.0000000
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F 1
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1 0.650000E+00 1.0000000
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F 1
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1 0.754920E-01 1.0000000
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G 1
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1 0.140000E+01 1.0000000
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G 1
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1 0.943650E-01 1.0000000
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NITROGEN
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S 7
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1 0.389206E+08 0.976400E-06
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2 0.155682E+07 0.439969E-04
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3 0.124546E+06 0.781504E-03
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4 0.186556E+05 0.637700E-02
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5 0.424506E+04 0.332979E-01
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6 0.120210E+04 0.139950E+00
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7 0.392142E+03 0.500000E+00
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S 1
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1 0.141580E+03 1.0000000
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S 1
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1 0.551359E+02 1.0000000
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S 1
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|
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1 0.226432E+02 1.0000000
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S 1
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|
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1 0.965655E+01 1.0000000
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S 1
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|
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1 0.416854E+01 1.0000000
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S 1
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|
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1 0.166780E+01 1.0000000
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S 1
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1 0.745736E+00 1.0000000
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S 1
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1 0.305157E+00 1.0000000
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S 1
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1 0.120888E+00 1.0000000
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S 1
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1 0.444440E-01 1.0000000
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P 3
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1 0.141886E+04 0.287330E-02
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2 0.218287E+03 0.565264E-01
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3 0.514884E+02 0.500000E+00
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P 1
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1 0.161303E+02 1.0000000
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P 1
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|
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1 0.613074E+01 1.0000000
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P 1
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|
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1 0.250523E+01 1.0000000
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P 1
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|
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1 0.107298E+01 1.0000000
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P 1
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|
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1 0.458381E+00 1.0000000
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|
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P 1
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|
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1 0.189481E+00 1.0000000
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P 1
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|
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1 0.733589E-01 1.0000000
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P 1
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|
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1 0.263880E-01 1.0000000
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D 1
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|
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1 0.330000E+02 1.0000000
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D 1
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|
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1 0.600000E+01 1.0000000
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D 1
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|
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1 0.165000E+01 1.0000000
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D 1
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|
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1 0.650000E+00 1.0000000
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D 1
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|
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1 0.250000E+00 1.0000000
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D 1
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1 0.791640E-01 1.0000000
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F 1
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1 0.630000E+01 1.0000000
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F 1
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|
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1 0.180000E+01 1.0000000
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|
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F 1
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|
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1 0.770000E+00 1.0000000
|
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|
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F 1
|
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|
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1 0.105550E+00 1.0000000
|
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G 1
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|
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1 0.150000E+01 1.0000000
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G 1
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|
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1 0.131940E+00 1.0000000
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OXYGEN
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|
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S 7
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|
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1 0.512593E+08 0.976700E-06
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2 0.205037E+07 0.440044E-04
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3 0.164030E+06 0.781725E-03
|
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4 0.245674E+05 0.637917E-02
|
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5 0.559105E+04 0.332982E-01
|
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6 0.158362E+04 0.139925E+00
|
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|
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7 0.516670E+03 0.500000E+00
|
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S 1
|
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|
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1 0.186555E+03 1.0000000
|
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|
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S 1
|
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|
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1 0.726960E+02 1.0000000
|
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|
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S 1
|
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|
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1 0.299924E+02 1.0000000
|
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|
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S 1
|
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|
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1 0.128992E+02 1.0000000
|
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|
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S 1
|
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|
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1 0.561355E+01 1.0000000
|
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|
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S 1
|
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|
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1 0.229864E+01 1.0000000
|
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|
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S 1
|
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|
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1 0.999797E+00 1.0000000
|
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|
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S 1
|
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|
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1 0.407461E+00 1.0000000
|
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|
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S 1
|
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|
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1 0.159225E+00 1.0000000
|
||
|
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S 1
|
||
|
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1 0.576900E-01 1.0000000
|
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|
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P 3
|
||
|
|
1 0.176812E+04 0.288598E-02
|
||
|
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2 0.272018E+03 0.569749E-01
|
||
|
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3 0.642425E+02 0.500000E+00
|
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P 1
|
||
|
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1 0.202494E+02 1.0000000
|
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|
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P 1
|
||
|
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1 0.764384E+01 1.0000000
|
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|
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P 1
|
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|
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1 0.312320E+01 1.0000000
|
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|
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P 1
|
||
|
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1 0.132510E+01 1.0000000
|
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|
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P 1
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|
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1 0.555508E+00 1.0000000
|
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|
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P 1
|
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|
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1 0.222286E+00 1.0000000
|
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|
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P 1
|
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|
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1 0.840097E-01 1.0000000
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|
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P 1
|
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|
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1 0.294770E-01 1.0000000
|
||
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D 1
|
||
|
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1 0.385000E+02 1.0000000
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|
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D 1
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|
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1 0.700000E+01 1.0000000
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D 1
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|
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1 0.200000E+01 1.0000000
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|
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D 1
|
||
|
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1 0.800000E+00 1.0000000
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|
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D 1
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||
|
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1 0.300000E+00 1.0000000
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D 1
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||
|
|
1 0.884310E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.735000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.210000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.900000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.117910E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.160000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.147390E+00 1.0000000
|
||
|
|
|
||
|
|
FLUORINE
|
||
|
|
S 7
|
||
|
|
1 0.673933E+08 0.974800E-06
|
||
|
|
2 0.269573E+07 0.439189E-04
|
||
|
|
3 0.215659E+06 0.780226E-03
|
||
|
|
4 0.322991E+05 0.636731E-02
|
||
|
|
5 0.735044E+04 0.332402E-01
|
||
|
|
6 0.208182E+04 0.139742E+00
|
||
|
|
7 0.679087E+03 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.245100E+03 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.954615E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.394224E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.170182E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.745246E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.313290E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.133946E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.542183E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.209037E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.749240E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.228290E+04 0.287140E-02
|
||
|
|
2 0.351216E+03 0.568065E-01
|
||
|
|
3 0.829778E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.262671E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.993065E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.406700E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.172462E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.719760E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.286244E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.107890E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.378560E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.462000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.840000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.260000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.100000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.350000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.113570E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.910000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.260000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.105000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.151420E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.170000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.189280E+00 1.0000000
|
||
|
|
|
||
|
|
NEON
|
||
|
|
S 7
|
||
|
|
1 0.845824E+08 0.977200E-06
|
||
|
|
2 0.338329E+07 0.439015E-04
|
||
|
|
3 0.270664E+06 0.779820E-03
|
||
|
|
4 0.405414E+05 0.636341E-02
|
||
|
|
5 0.922653E+04 0.332193E-01
|
||
|
|
6 0.261317E+04 0.139680E+00
|
||
|
|
7 0.852388E+03 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.307607E+03 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.119758E+03 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.494369E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.213685E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.939206E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.398322E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.168867E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.680305E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.260241E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.924800E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.288244E+04 0.285891E-02
|
||
|
|
2 0.443452E+03 0.566825E-01
|
||
|
|
3 0.104816E+03 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.332550E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.125479E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.514211E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.217829E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.906445E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.359944E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.135148E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.472100E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.550000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.100000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.300000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.115000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.400000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.141600E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.980000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.280000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.115000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.188800E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.180000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.236000E+00 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 9
|
||
|
|
1 0.225467E+09 0.165400E-06
|
||
|
|
2 0.901868E+07 0.732700E-05
|
||
|
|
3 0.721495E+06 0.132709E-03
|
||
|
|
4 0.108090E+06 0.105741E-02
|
||
|
|
5 0.246053E+05 0.568055E-02
|
||
|
|
6 0.697136E+04 0.226380E-01
|
||
|
|
7 0.227488E+04 0.831888E-01
|
||
|
|
8 0.821595E+03 0.219518E+00
|
||
|
|
9 0.320775E+03 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.901868E+07 0.376000E-07
|
||
|
|
2 0.721495E+06 -0.718000E-07
|
||
|
|
3 0.108090E+06 0.674580E-05
|
||
|
|
4 0.246053E+05 -0.105760E-04
|
||
|
|
5 0.697136E+04 0.329800E-03
|
||
|
|
6 0.227488E+04 0.735683E-03
|
||
|
|
7 0.821595E+03 0.149561E-01
|
||
|
|
8 0.320775E+03 0.720036E-01
|
||
|
|
9 0.133150E+03 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.578165E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.259536E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.118993E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.474985E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.206880E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.877791E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.249508E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.114618E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.481927E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.186900E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 0.131283E+05 0.113543E-03
|
||
|
|
2 0.201974E+04 0.231785E-02
|
||
|
|
3 0.478633E+03 0.210832E-01
|
||
|
|
4 0.155019E+03 0.117423E+00
|
||
|
|
5 0.579042E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.241400E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.107894E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.497298E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.231607E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.107906E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.491590E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.204824E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.792561E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.289276E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.983900E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.840000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.560000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.147000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.440000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.160000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.295200E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.192000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.960000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.320000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.393600E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.580000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.492000E-01 1.0000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 9
|
||
|
|
1 0.274202E+09 0.161200E-06
|
||
|
|
2 0.109681E+08 0.713580E-05
|
||
|
|
3 0.877445E+06 0.129284E-03
|
||
|
|
4 0.131448E+06 0.103073E-02
|
||
|
|
5 0.299289E+05 0.554851E-02
|
||
|
|
6 0.848016E+04 0.221839E-01
|
||
|
|
7 0.276723E+04 0.818601E-01
|
||
|
|
8 0.999396E+03 0.217789E+00
|
||
|
|
9 0.390144E+03 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.109681E+08 0.377000E-07
|
||
|
|
2 0.877445E+06 -0.514000E-07
|
||
|
|
3 0.131448E+06 0.655480E-05
|
||
|
|
4 0.299289E+05 -0.939310E-05
|
||
|
|
5 0.848016E+04 0.316762E-03
|
||
|
|
6 0.276723E+04 0.717722E-03
|
||
|
|
7 0.999396E+03 0.144140E-01
|
||
|
|
8 0.390144E+03 0.710346E-01
|
||
|
|
9 0.161910E+03 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.703042E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.315787E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.144804E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.583828E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.259465E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.112498E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.353562E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.161600E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.672611E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.261050E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 0.149703E+05 0.110328E-03
|
||
|
|
2 0.230312E+04 0.224164E-02
|
||
|
|
3 0.545845E+03 0.204529E-01
|
||
|
|
4 0.177054E+03 0.115998E+00
|
||
|
|
5 0.663775E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.276011E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.123430E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.568939E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.264060E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.120944E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.520126E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.232558E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.981411E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.383603E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.145600E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.999000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.666000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.175000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.520000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.190000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.436800E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.230000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.115000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.380000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.582400E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.650000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.728000E-01 1.0000000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 9
|
||
|
|
1 0.332403E+09 0.167800E-06
|
||
|
|
2 0.132961E+08 0.745370E-05
|
||
|
|
3 0.106369E+07 0.134360E-03
|
||
|
|
4 0.160001E+06 0.106836E-02
|
||
|
|
5 0.365133E+05 0.570094E-02
|
||
|
|
6 0.103592E+05 0.228307E-01
|
||
|
|
7 0.338283E+04 0.832880E-01
|
||
|
|
8 0.122229E+04 0.222530E+00
|
||
|
|
9 0.477305E+03 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.132961E+08 -0.349000E-07
|
||
|
|
2 0.106369E+07 0.325000E-07
|
||
|
|
3 0.160001E+06 -0.594200E-05
|
||
|
|
4 0.365133E+05 0.665710E-05
|
||
|
|
5 0.103592E+05 -0.297553E-03
|
||
|
|
6 0.338283E+04 -0.818254E-03
|
||
|
|
7 0.122229E+04 -0.142234E-01
|
||
|
|
8 0.477305E+03 -0.731238E-01
|
||
|
|
9 0.198087E+03 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.859940E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.386272E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.176880E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.725513E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.326989E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.143127E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.470467E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.212895E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.877424E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.334080E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 0.179542E+05 0.113979E-03
|
||
|
|
2 0.276218E+04 0.232148E-02
|
||
|
|
3 0.654784E+03 0.211641E-01
|
||
|
|
4 0.212581E+03 0.117391E+00
|
||
|
|
5 0.798946E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.333660E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.149865E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.696804E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.328178E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.152471E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.669237E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.299291E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.128110E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.509917E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.188000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.115650E+03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.771000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.203000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.600000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.220000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.563990E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.268000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.134000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.450000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.751990E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.720000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.939990E-01 1.0000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 9
|
||
|
|
1 0.390761E+09 0.168800E-06
|
||
|
|
2 0.156305E+08 0.749300E-05
|
||
|
|
3 0.125044E+07 0.134985E-03
|
||
|
|
4 0.188077E+06 0.107520E-02
|
||
|
|
5 0.429181E+05 0.572479E-02
|
||
|
|
6 0.121790E+05 0.229821E-01
|
||
|
|
7 0.397874E+04 0.834880E-01
|
||
|
|
8 0.143814E+04 0.224254E+00
|
||
|
|
9 0.561672E+03 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.156305E+08 0.349000E-07
|
||
|
|
2 0.125044E+07 -0.340000E-08
|
||
|
|
3 0.188077E+06 0.566120E-05
|
||
|
|
4 0.429181E+05 -0.444280E-05
|
||
|
|
5 0.121790E+05 0.285946E-03
|
||
|
|
6 0.397874E+04 0.866569E-03
|
||
|
|
7 0.143814E+04 0.139730E-01
|
||
|
|
8 0.561672E+03 0.738273E-01
|
||
|
|
9 0.233113E+03 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.101218E+03 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.454926E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.208467E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.864916E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.394558E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.174718E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.599527E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.271272E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.110799E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.418370E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 0.213577E+05 0.112859E-03
|
||
|
|
2 0.328580E+04 0.229829E-02
|
||
|
|
3 0.778928E+03 0.209925E-01
|
||
|
|
4 0.252759E+03 0.117048E+00
|
||
|
|
5 0.950996E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.398205E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.179253E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.836991E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.396547E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.185395E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.819709E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.361168E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.150974E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.596196E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.218200E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.131400E+03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.876000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.230000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.680000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.250000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.654610E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.306000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.153000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.510000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.872820E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.790000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.109100E+00 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 9
|
||
|
|
1 0.456590E+09 0.168600E-06
|
||
|
|
2 0.182636E+08 0.748860E-05
|
||
|
|
3 0.146109E+07 0.134842E-03
|
||
|
|
4 0.219593E+06 0.107646E-02
|
||
|
|
5 0.500849E+05 0.572498E-02
|
||
|
|
6 0.142058E+05 0.230562E-01
|
||
|
|
7 0.463895E+04 0.835451E-01
|
||
|
|
8 0.167635E+04 0.225568E+00
|
||
|
|
9 0.654515E+03 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.182636E+08 0.327000E-07
|
||
|
|
2 0.146109E+07 0.370000E-08
|
||
|
|
3 0.219593E+06 0.527110E-05
|
||
|
|
4 0.500849E+05 -0.329590E-05
|
||
|
|
5 0.142058E+05 0.272280E-03
|
||
|
|
6 0.463895E+04 0.893611E-03
|
||
|
|
7 0.167635E+04 0.137028E-01
|
||
|
|
8 0.654515E+03 0.742594E-01
|
||
|
|
9 0.271526E+03 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.117867E+03 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.529838E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.242916E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.101841E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.469284E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.209736E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.748674E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.336135E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.135729E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.507110E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 0.249969E+05 0.112052E-03
|
||
|
|
2 0.384568E+04 0.228350E-02
|
||
|
|
3 0.911226E+03 0.208999E-01
|
||
|
|
4 0.295641E+03 0.116888E+00
|
||
|
|
5 0.111403E+03 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.467674E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.211061E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.990577E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.473468E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.223643E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.100711E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.443689E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.184880E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.732679E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.269040E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.147150E+03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.981000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.258000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.760000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.280000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.807110E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.344000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.172000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.570000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.107610E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.860000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.134520E+00 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 9
|
||
|
|
1 0.531924E+09 0.166900E-06
|
||
|
|
2 0.212770E+08 0.744360E-05
|
||
|
|
3 0.170216E+07 0.133648E-03
|
||
|
|
4 0.254909E+06 0.107290E-02
|
||
|
|
5 0.580115E+05 0.571001E-02
|
||
|
|
6 0.164313E+05 0.230822E-01
|
||
|
|
7 0.536050E+04 0.835062E-01
|
||
|
|
8 0.193540E+04 0.226751E+00
|
||
|
|
9 0.755086E+03 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.212770E+08 0.140000E-07
|
||
|
|
2 0.170216E+07 -0.127200E-06
|
||
|
|
3 0.254909E+06 0.382700E-05
|
||
|
|
4 0.580115E+05 -0.791600E-05
|
||
|
|
5 0.164313E+05 0.236391E-03
|
||
|
|
6 0.536050E+04 0.833472E-03
|
||
|
|
7 0.193540E+04 0.132269E-01
|
||
|
|
8 0.755086E+03 0.741644E-01
|
||
|
|
9 0.313082E+03 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.135883E+03 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.610919E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.280236E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.118596E+02 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.551166E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.248217E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.917608E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.407031E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.162384E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.599900E-01 1.0000000
|
||
|
|
P 5
|
||
|
|
1 0.287006E+05 0.111637E-03
|
||
|
|
2 0.441547E+04 0.227411E-02
|
||
|
|
3 0.104630E+04 0.208358E-01
|
||
|
|
4 0.339536E+03 0.116680E+00
|
||
|
|
5 0.128103E+03 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.538230E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.243068E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.114402E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.551320E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.263306E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.121091E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.534114E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.223141E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.887920E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.327300E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.162900E+03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.108600E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.286000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.840000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.310000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.981900E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.382000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.191000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.630000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.130900E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.930000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.163600E+00 1.0000000
|
||
|
|
|
||
|
|
|