mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-09 07:33:49 +01:00
998 lines
30 KiB
Plaintext
998 lines
30 KiB
Plaintext
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HYDROGEN
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S 4
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1 0.242090E+06 0.768609E-04
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2 0.968361E+04 0.345608E-02
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3 0.774689E+03 0.613091E-01
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4 0.116159E+03 0.500000E+00
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S 3
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1 0.264490E+02 0.355828E-01
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2 0.750149E+01 0.147911E+00
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3 0.245685E+01 0.500000E+00
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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 0.18800E-01 1.0000000
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P 1
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1 0.3900000000E+02 1.0000000
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P 1
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1 0.6500000000E+01 1.0000000
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P 1
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1 0.1550000000E+01 1.0000000
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P 1
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1 0.5500000000E+00 1.0000000
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P 1
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1 0.2000000000E+00 1.0000000
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P 1
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1 0.56399E-01 1.0000000
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D 1
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1 0.1170000000E+02 1.0000000
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D 1
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1 0.1950000000E+01 1.0000000
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D 1
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1 0.6500000000E+00 1.0000000
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D 1
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1 0.75199E-01 1.0000000
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F 1
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1 0.2200000000E+01 1.0000000
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F 1
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1 0.93999E-01 1.0000000
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HELIUM
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S 4
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1 0.677320E+06 0.770385E-04
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2 0.270928E+05 0.346312E-02
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3 0.216742E+04 0.614330E-01
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4 0.324988E+03 0.500000E+00
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S 3
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1 0.739935E+02 0.384266E-01
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2 0.209754E+02 0.156176E+00
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3 0.684520E+01 0.500000E+00
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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 0.43040E-01 1.0000000
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P 1
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1 0.6420000000E+02 1.0000000
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P 1
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1 0.1070000000E+02 1.0000000
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P 1
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1 0.2550000000E+01 1.0000000
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P 1
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1 0.9000000000E+00 1.0000000
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P 1
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1 0.3300000000E+00 1.0000000
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P 1
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1 0.12910E+00 1.0000000
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D 1
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1 0.1920000000E+02 1.0000000
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D 1
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1 0.3200000000E+01 1.0000000
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D 1
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1 0.1070000000E+01 1.0000000
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D 1
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1 0.17220E+00 1.0000000
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F 1
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1 0.3200000000E+01 1.0000000
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F 1
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1 0.21520E+00 1.0000000
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BORON
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S 6
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1 0.179421E+08 0.349767E-05
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2 0.717685E+06 0.157599E-03
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3 0.574148E+05 0.279912E-02
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4 0.860153E+04 0.228320E-01
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5 0.195779E+04 0.119146E+00
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6 0.554611E+03 0.500000E+00
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S 3
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1 0.181051E+03 0.613105E-01
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2 0.654909E+02 0.193322E+00
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3 0.255994E+02 0.500000E+00
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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 0.21910E-01 1.0000000
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P 3
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1 0.585723E+03 0.297808E-02
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2 0.901112E+02 0.577255E-01
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3 0.211653E+02 0.500000E+00
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P 2
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1 0.656183E+01 0.181727E+00
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2 0.256465E+01 0.500000E+00
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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 0.12340E-01 1.0000000
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D 1
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1 0.2200000000E+02 1.0000000
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D 1
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1 0.4000000000E+01 1.0000000
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D 1
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1 0.1050000000E+01 1.0000000
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D 1
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1 0.4000000000E+00 1.0000000
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D 1
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1 0.1500000000E+00 1.0000000
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D 1
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1 0.37010E-01 1.0000000
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F 1
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1 0.4200000000E+01 1.0000000
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F 1
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1 0.1200000000E+01 1.0000000
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F 1
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1 0.5200000000E+00 1.0000000
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F 1
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1 0.49350E-01 1.0000000
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G 1
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1 0.1300000000E+01 1.0000000
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G 1
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1 0.61680E-01 1.0000000
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CARBON
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S 6
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1 0.272316E+08 0.350765E-05
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2 0.108927E+07 0.157395E-03
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3 0.871412E+05 0.279604E-02
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4 0.130520E+05 0.228130E-01
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5 0.297061E+04 0.119059E+00
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6 0.841460E+03 0.500000E+00
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S 3
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1 0.274589E+03 0.597224E-01
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2 0.992150E+02 0.188522E+00
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3 0.386940E+02 0.500000E+00
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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 0.31605E-01 1.0000000
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P 3
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1 0.963557E+03 0.290970E-02
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2 0.148240E+03 0.568714E-01
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3 0.349117E+02 0.500000E+00
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P 2
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1 0.108936E+02 0.167216E+00
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2 0.419336E+01 0.500000E+00
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P 1
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1 0.171343E+01 1.0000000
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P 1
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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 0.18873E-01 1.0000000
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D 1
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1 0.2860000000E+02 1.0000000
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D 1
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1 0.5200000000E+01 1.0000000
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D 1
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1 0.1350000000E+01 1.0000000
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D 1
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1 0.5200000000E+00 1.0000000
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D 1
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1 0.2000000000E+00 1.0000000
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D 1
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1 0.56619E-01 1.0000000
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F 1
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1 0.5250000000E+01 1.0000000
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F 1
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1 0.1500000000E+01 1.0000000
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F 1
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1 0.6500000000E+00 1.0000000
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F 1
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1 0.75492E-01 1.0000000
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G 1
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1 0.1400000000E+01 1.0000000
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G 1
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1 0.94365E-01 1.0000000
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NITROGEN
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S 6
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1 0.389206E+08 0.349953E-05
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2 0.155682E+07 0.157184E-03
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3 0.124546E+06 0.279199E-02
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4 0.186556E+05 0.227828E-01
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5 0.424506E+04 0.118957E+00
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6 0.120210E+04 0.500000E+00
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S 3
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1 0.392142E+03 0.585517E-01
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2 0.141580E+03 0.185001E+00
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3 0.551359E+02 0.500000E+00
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S 1
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1 0.226432E+02 1.0000000
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S 1
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1 0.965655E+01 1.0000000
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S 1
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1 0.416854E+01 1.0000000
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S 1
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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 0.44444E-01 1.0000000
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P 3
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1 0.141886E+04 0.287321E-02
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2 0.218287E+03 0.565511E-01
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3 0.514884E+02 0.500000E+00
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P 2
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1 0.161303E+02 0.158774E+00
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2 0.613074E+01 0.500000E+00
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P 1
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1 0.250523E+01 1.0000000
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P 1
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1 0.107298E+01 1.0000000
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P 1
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1 0.458381E+00 1.0000000
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P 1
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1 0.189481E+00 1.0000000
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P 1
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1 0.733589E-01 1.0000000
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P 1
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1 0.26388E-01 1.0000000
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D 1
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1 0.3300000000E+02 1.0000000
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D 1
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1 0.6000000000E+01 1.0000000
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D 1
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1 0.1650000000E+01 1.0000000
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D 1
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1 0.6500000000E+00 1.0000000
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D 1
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1 0.2500000000E+00 1.0000000
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D 1
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1 0.79164E-01 1.0000000
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F 1
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1 0.6300000000E+01 1.0000000
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F 1
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1 0.1800000000E+01 1.0000000
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F 1
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1 0.7700000000E+00 1.0000000
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F 1
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1 0.10555E+00 1.0000000
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G 1
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1 0.1500000000E+01 1.0000000
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G 1
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1 0.13194E+00 1.0000000
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OXYGEN
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S 6
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1 0.512593E+08 0.349915E-05
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2 0.205037E+07 0.157242E-03
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3 0.164030E+06 0.279339E-02
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4 0.245674E+05 0.227950E-01
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5 0.559105E+04 0.118987E+00
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6 0.158362E+04 0.500000E+00
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S 3
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1 0.516670E+03 0.583536E-01
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2 0.186555E+03 0.184741E+00
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3 0.726960E+02 0.500000E+00
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S 1
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1 0.299924E+02 1.0000000
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S 1
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1 0.128992E+02 1.0000000
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S 1
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1 0.561355E+01 1.0000000
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S 1
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1 0.229864E+01 1.0000000
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S 1
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1 0.999797E+00 1.0000000
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S 1
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1 0.407461E+00 1.0000000
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S 1
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1 0.159225E+00 1.0000000
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S 1
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1 0.57690E-01 1.0000000
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P 3
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1 0.176812E+04 0.288614E-02
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2 0.272018E+03 0.569650E-01
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3 0.642425E+02 0.500000E+00
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P 2
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1 0.202494E+02 0.156090E+00
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2 0.764384E+01 0.500000E+00
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P 1
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1 0.312320E+01 1.0000000
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P 1
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1 0.132510E+01 1.0000000
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P 1
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1 0.555508E+00 1.0000000
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P 1
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1 0.222286E+00 1.0000000
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P 1
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1 0.840097E-01 1.0000000
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P 1
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1 0.29477E-01 1.0000000
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D 1
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1 0.3850000000E+02 1.0000000
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D 1
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1 0.7000000000E+01 1.0000000
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D 1
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1 0.2000000000E+01 1.0000000
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D 1
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1 0.8000000000E+00 1.0000000
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D 1
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1 0.3000000000E+00 1.0000000
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D 1
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1 0.88431E-01 1.0000000
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F 1
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1 0.7350000000E+01 1.0000000
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F 1
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1 0.2100000000E+01 1.0000000
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|
|
F 1
|
||
|
|
1 0.9000000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.11791E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.1600000000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.14739E+00 1.0000000
|
||
|
|
|
||
|
|
FLUORINE
|
||
|
|
S 6
|
||
|
|
1 0.673933E+08 0.349838E-05
|
||
|
|
2 0.269573E+07 0.157152E-03
|
||
|
|
3 0.215659E+06 0.279161E-02
|
||
|
|
4 0.322991E+05 0.227817E-01
|
||
|
|
5 0.735044E+04 0.118935E+00
|
||
|
|
6 0.208182E+04 0.500000E+00
|
||
|
|
S 3
|
||
|
|
1 0.679087E+03 0.577445E-01
|
||
|
|
2 0.245100E+03 0.183303E+00
|
||
|
|
3 0.954615E+02 0.500000E+00
|
||
|
|
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 0.74924E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.228290E+04 0.287146E-02
|
||
|
|
2 0.351216E+03 0.568044E-01
|
||
|
|
3 0.829778E+02 0.500000E+00
|
||
|
|
P 2
|
||
|
|
1 0.262671E+02 0.153927E+00
|
||
|
|
2 0.993065E+01 0.500000E+00
|
||
|
|
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 0.37856E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4620000000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.8400000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2600000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1000000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3500000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.11357E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9100000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2600000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1050000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.15142E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.1700000000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.18928E+00 1.0000000
|
||
|
|
|
||
|
|
NEON
|
||
|
|
S 6
|
||
|
|
1 0.845824E+08 0.350068E-05
|
||
|
|
2 0.338329E+07 0.157151E-03
|
||
|
|
3 0.270664E+06 0.279145E-02
|
||
|
|
4 0.405414E+05 0.227788E-01
|
||
|
|
5 0.922653E+04 0.118914E+00
|
||
|
|
6 0.261317E+04 0.500000E+00
|
||
|
|
S 3
|
||
|
|
1 0.852388E+03 0.573420E-01
|
||
|
|
2 0.307607E+03 0.182043E+00
|
||
|
|
3 0.119758E+03 0.500000E+00
|
||
|
|
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 0.92480E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.288244E+04 0.285888E-02
|
||
|
|
2 0.443452E+03 0.566836E-01
|
||
|
|
3 0.104816E+03 0.500000E+00
|
||
|
|
P 2
|
||
|
|
1 0.332550E+02 0.151641E+00
|
||
|
|
2 0.125479E+02 0.500000E+00
|
||
|
|
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 0.47210E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5500000000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1000000000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3000000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1150000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4000000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.14160E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9800000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2800000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1150000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.18880E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.1800000000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.23600E+00 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 8
|
||
|
|
1 0.225467E+09 0.306427E-06
|
||
|
|
2 0.901868E+07 0.137572E-04
|
||
|
|
3 0.721495E+06 0.244176E-03
|
||
|
|
4 0.108090E+06 0.199226E-02
|
||
|
|
5 0.246053E+05 0.104040E-01
|
||
|
|
6 0.697136E+04 0.438326E-01
|
||
|
|
7 0.227488E+04 0.158038E+00
|
||
|
|
8 0.821595E+03 0.500000E+00
|
||
|
|
S 4
|
||
|
|
1 0.320775E+03 0.627765E-01
|
||
|
|
2 0.133150E+03 0.158201E+00
|
||
|
|
3 0.578165E+02 0.321900E+00
|
||
|
|
4 0.259536E+02 0.500000E+00
|
||
|
|
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 0.18690E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.131283E+05 0.377419E-04
|
||
|
|
2 0.201974E+04 0.770358E-03
|
||
|
|
3 0.478633E+03 0.700805E-02
|
||
|
|
4 0.155019E+03 0.390273E-01
|
||
|
|
5 0.579042E+02 0.166194E+00
|
||
|
|
6 0.241400E+02 0.500000E+00
|
||
|
|
P 3
|
||
|
|
1 0.107894E+02 0.248830E+00
|
||
|
|
2 0.497298E+01 0.441682E+00
|
||
|
|
3 0.231607E+01 0.500000E+00
|
||
|
|
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 0.98390E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.8400000000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5600000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1470000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4400000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1600000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.29520E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1920000000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.9600000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3200000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.39360E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.5800000000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.49200E-01 1.0000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 8
|
||
|
|
1 0.274202E+09 0.305787E-06
|
||
|
|
2 0.109681E+08 0.137227E-04
|
||
|
|
3 0.877445E+06 0.243580E-03
|
||
|
|
4 0.131448E+06 0.198722E-02
|
||
|
|
5 0.299289E+05 0.103755E-01
|
||
|
|
6 0.848016E+04 0.437241E-01
|
||
|
|
7 0.276723E+04 0.157739E+00
|
||
|
|
8 0.999396E+03 0.500000E+00
|
||
|
|
S 4
|
||
|
|
1 0.390144E+03 0.601970E-01
|
||
|
|
2 0.161910E+03 0.152652E+00
|
||
|
|
3 0.703042E+02 0.315376E+00
|
||
|
|
4 0.315787E+02 0.500000E+00
|
||
|
|
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 0.26105E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.149703E+05 0.378248E-04
|
||
|
|
2 0.230312E+04 0.770045E-03
|
||
|
|
3 0.545845E+03 0.701565E-02
|
||
|
|
4 0.177054E+03 0.388131E-01
|
||
|
|
5 0.663775E+02 0.165061E+00
|
||
|
|
6 0.276011E+02 0.500000E+00
|
||
|
|
P 3
|
||
|
|
1 0.123430E+02 0.258713E+00
|
||
|
|
2 0.568939E+01 0.455503E+00
|
||
|
|
3 0.264060E+01 0.500000E+00
|
||
|
|
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 0.14560E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.9990000000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.6660000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1750000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5200000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1900000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.43680E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2300000000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1150000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3800000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.58240E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6500000000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.72800E-01 1.0000000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 8
|
||
|
|
1 0.332403E+09 0.308028E-06
|
||
|
|
2 0.132961E+08 0.138499E-04
|
||
|
|
3 0.106369E+07 0.245090E-03
|
||
|
|
4 0.160001E+06 0.198973E-02
|
||
|
|
5 0.365133E+05 0.103647E-01
|
||
|
|
6 0.103592E+05 0.436447E-01
|
||
|
|
7 0.338283E+04 0.157454E+00
|
||
|
|
8 0.122229E+04 0.500000E+00
|
||
|
|
S 4
|
||
|
|
1 0.477305E+03 0.570592E-01
|
||
|
|
2 0.198087E+03 0.145717E+00
|
||
|
|
3 0.859940E+02 0.307068E+00
|
||
|
|
4 0.386272E+02 0.500000E+00
|
||
|
|
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 0.33408E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.179542E+05 0.373525E-04
|
||
|
|
2 0.276218E+04 0.760744E-03
|
||
|
|
3 0.654784E+03 0.693594E-02
|
||
|
|
4 0.212581E+03 0.384702E-01
|
||
|
|
5 0.798946E+02 0.163859E+00
|
||
|
|
6 0.333660E+02 0.500000E+00
|
||
|
|
P 3
|
||
|
|
1 0.149865E+02 0.254367E+00
|
||
|
|
2 0.696804E+01 0.453157E+00
|
||
|
|
3 0.328178E+01 0.500000E+00
|
||
|
|
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 0.18800E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1156500000E+03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7710000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2030000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.6000000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2200000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.56399E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2680000000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1340000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4500000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.75199E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.7200000000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.93999E-01 1.0000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 8
|
||
|
|
1 0.390761E+09 0.307564E-06
|
||
|
|
2 0.156305E+08 0.138410E-04
|
||
|
|
3 0.125044E+07 0.245011E-03
|
||
|
|
4 0.188077E+06 0.198940E-02
|
||
|
|
5 0.429181E+05 0.103624E-01
|
||
|
|
6 0.121790E+05 0.436189E-01
|
||
|
|
7 0.397874E+04 0.157315E+00
|
||
|
|
8 0.143814E+04 0.500000E+00
|
||
|
|
S 4
|
||
|
|
1 0.561672E+03 0.555129E-01
|
||
|
|
2 0.233113E+03 0.142291E+00
|
||
|
|
3 0.101218E+03 0.302945E+00
|
||
|
|
4 0.454926E+02 0.500000E+00
|
||
|
|
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 0.41837E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.213577E+05 0.366419E-04
|
||
|
|
2 0.328580E+04 0.746094E-03
|
||
|
|
3 0.778928E+03 0.681549E-02
|
||
|
|
4 0.252759E+03 0.379984E-01
|
||
|
|
5 0.950996E+02 0.162327E+00
|
||
|
|
6 0.398205E+02 0.500000E+00
|
||
|
|
P 3
|
||
|
|
1 0.179253E+02 0.244865E+00
|
||
|
|
2 0.836991E+01 0.439416E+00
|
||
|
|
3 0.396547E+01 0.500000E+00
|
||
|
|
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 0.21820E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1314000000E+03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.8760000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2300000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.6800000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2500000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.65461E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3060000000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1530000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5100000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.87282E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.7900000000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.10910E+00 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 8
|
||
|
|
1 0.456590E+09 0.305890E-06
|
||
|
|
2 0.182636E+08 0.137663E-04
|
||
|
|
3 0.146109E+07 0.243938E-03
|
||
|
|
4 0.219593E+06 0.198252E-02
|
||
|
|
5 0.500849E+05 0.103334E-01
|
||
|
|
6 0.142058E+05 0.435326E-01
|
||
|
|
7 0.463895E+04 0.157118E+00
|
||
|
|
8 0.167635E+04 0.500000E+00
|
||
|
|
S 4
|
||
|
|
1 0.654515E+03 0.540936E-01
|
||
|
|
2 0.271526E+03 0.139213E+00
|
||
|
|
3 0.117867E+03 0.299167E+00
|
||
|
|
4 0.529838E+02 0.500000E+00
|
||
|
|
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 0.50711E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.249969E+05 0.361271E-04
|
||
|
|
2 0.384568E+04 0.736113E-03
|
||
|
|
3 0.911226E+03 0.673840E-02
|
||
|
|
4 0.295641E+03 0.376820E-01
|
||
|
|
5 0.111403E+03 0.161201E+00
|
||
|
|
6 0.467674E+02 0.500000E+00
|
||
|
|
P 3
|
||
|
|
1 0.211061E+02 0.239886E+00
|
||
|
|
2 0.990577E+01 0.433956E+00
|
||
|
|
3 0.473468E+01 0.500000E+00
|
||
|
|
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 0.26904E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1471500000E+03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.9810000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2580000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7600000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2800000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.80711E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3440000000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1720000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5700000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.10761E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.8600000000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.13452E+00 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 8
|
||
|
|
1 0.531924E+09 0.302814E-06
|
||
|
|
2 0.212770E+08 0.135757E-04
|
||
|
|
3 0.170216E+07 0.241046E-03
|
||
|
|
4 0.254909E+06 0.196793E-02
|
||
|
|
5 0.580115E+05 0.102818E-01
|
||
|
|
6 0.164313E+05 0.433808E-01
|
||
|
|
7 0.536050E+04 0.156794E+00
|
||
|
|
8 0.193540E+04 0.500000E+00
|
||
|
|
S 4
|
||
|
|
1 0.755086E+03 0.528827E-01
|
||
|
|
2 0.313082E+03 0.136543E+00
|
||
|
|
3 0.135883E+03 0.295805E+00
|
||
|
|
4 0.610919E+02 0.500000E+00
|
||
|
|
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 0.59990E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.287006E+05 0.357258E-04
|
||
|
|
2 0.441547E+04 0.727737E-03
|
||
|
|
3 0.104630E+04 0.666768E-02
|
||
|
|
4 0.339536E+03 0.373385E-01
|
||
|
|
5 0.128103E+03 0.160005E+00
|
||
|
|
6 0.538230E+02 0.500000E+00
|
||
|
|
P 3
|
||
|
|
1 0.243068E+02 0.240710E+00
|
||
|
|
2 0.114402E+02 0.436957E+00
|
||
|
|
3 0.551320E+01 0.500000E+00
|
||
|
|
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 0.32730E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1629000000E+03 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1086000000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2860000000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.8400000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3100000000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.98190E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3820000000E+02 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1910000000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6300000000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.13090E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.9300000000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.16360E+00 1.0000000
|
||
|
|
|
||
|
|
|