mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-23 21:03:49 +01:00
2774 lines
96 KiB
Plaintext
2774 lines
96 KiB
Plaintext
HYDROGEN
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S 6
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1 0.765363E+03 0.337953E-03
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2 0.114768E+03 0.262513E-02
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3 0.261385E+02 0.137591E-01
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4 0.741801E+01 0.570930E-01
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5 0.243212E+01 0.192568E+00
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6 0.880001E+00 0.500000E+00
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S 1
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1 0.338438E+00 1.0000000
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S 1
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1 0.134045E+00 1.0000000
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S 1
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1 0.520726E-01 1.0000000
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S 1
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1 0.187700E-01 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 0.563110E-01 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 0.750810E-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 0.938520E-01 1.0000000
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HELIUM
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S 6
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1 0.216842E+04 0.400235E-03
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2 0.325139E+03 0.310446E-02
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3 0.740268E+02 0.161687E-01
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4 0.209838E+02 0.656967E-01
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5 0.684741E+01 0.210258E+00
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6 0.244009E+01 0.500000E+00
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S 1
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1 0.902695E+00 1.0000000
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|
S 1
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|
1 0.333189E+00 1.0000000
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|
S 1
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|
1 0.124147E+00 1.0000000
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S 1
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|
1 0.430490E-01 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 0.129150E+00 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 0.215250E+00 1.0000000
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LITHIUM
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S 9
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1 0.167676E+05 0.548482E-04
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2 0.251260E+04 0.426081E-03
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3 0.571962E+03 0.223529E-02
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4 0.162044E+03 0.935746E-02
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5 0.528937E+02 0.330788E-01
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6 0.191144E+02 0.985546E-01
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7 0.744282E+01 0.235105E+00
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8 0.310814E+01 0.374041E+00
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9 0.123859E+01 0.500000E+00
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S 3
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1 0.230122E+01 0.157041E+00
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2 0.575547E+00 0.500000E+00
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3 0.319787E+00 0.165700E+00
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S 1
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1 0.978919E-01 1.0000000
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S 1
|
|
1 0.430982E-01 1.0000000
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S 1
|
|
1 0.182277E-01 1.0000000
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S 1
|
|
1 0.710790E-02 1.0000000
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P 4
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1 0.910399E+01 0.799959E-02
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2 0.199073E+01 0.557463E-01
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3 0.547532E+00 0.202438E+00
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4 0.186670E+00 0.500000E+00
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P 1
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1 0.644482E-01 1.0000000
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P 1
|
|
1 0.220116E-01 1.0000000
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P 1
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1 0.703710E-02 1.0000000
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D 1
|
|
1 0.480000E+00 1.0000000
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D 1
|
|
1 0.150000E+00 1.0000000
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D 1
|
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1 0.211110E-01 1.0000000
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F 1
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1 0.350000E+00 1.0000000
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F 1
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1 0.281490E-01 1.0000000
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BERYLLIUM
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S 9
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1 0.451328E+05 0.369951E-04
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2 0.676189E+04 0.287551E-03
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3 0.153924E+04 0.150981E-02
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4 0.436048E+03 0.634391E-02
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5 0.142288E+03 0.227074E-01
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6 0.513976E+02 0.702526E-01
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7 0.200404E+02 0.182348E+00
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8 0.838919E+01 0.346016E+00
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9 0.315888E+01 0.500000E+00
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S 3
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1 0.498639E+01 0.164771E+00
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2 0.150654E+01 0.500000E+00
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3 0.713794E+00 0.194595E+00
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S 1
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1 0.233638E+00 1.0000000
|
|
S 1
|
|
1 0.929844E-01 1.0000000
|
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S 1
|
|
1 0.370775E-01 1.0000000
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S 1
|
|
1 0.136930E-01 1.0000000
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P 4
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1 0.141028E+02 0.807698E-02
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2 0.312396E+01 0.568247E-01
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3 0.875727E+00 0.209061E+00
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4 0.298792E+00 0.500000E+00
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P 1
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|
1 0.102937E+00 1.0000000
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P 1
|
|
1 0.344928E-01 1.0000000
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|
P 1
|
|
1 0.108320E-01 1.0000000
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D 1
|
|
1 0.800000E+00 1.0000000
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|
D 1
|
|
1 0.250000E+00 1.0000000
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|
D 1
|
|
1 0.324960E-01 1.0000000
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|
F 1
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|
1 0.550000E+00 1.0000000
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|
F 1
|
|
1 0.433290E-01 1.0000000
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|
|
|
BORON
|
|
S 9
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|
1 0.865940E+05 0.305111E-04
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2 0.129706E+05 0.237202E-03
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3 0.295170E+04 0.124641E-02
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4 0.836053E+03 0.524374E-02
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5 0.272779E+03 0.188482E-01
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6 0.985332E+02 0.590219E-01
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7 0.385109E+02 0.157175E+00
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8 0.162891E+02 0.311618E+00
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9 0.618043E+01 0.500000E+00
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S 3
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1 0.956670E+01 0.136896E+00
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2 0.292535E+01 0.500000E+00
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3 0.133841E+01 0.228480E+00
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S 1
|
|
1 0.422398E+00 1.0000000
|
|
S 1
|
|
1 0.166416E+00 1.0000000
|
|
S 1
|
|
1 0.645821E-01 1.0000000
|
|
S 1
|
|
1 0.232580E-01 1.0000000
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P 6
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|
1 0.904211E+02 0.945921E-03
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2 0.212377E+02 0.772036E-02
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3 0.658132E+01 0.379008E-01
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4 0.257179E+01 0.100998E+00
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|
5 0.105508E+01 0.275779E+00
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6 0.453800E+00 0.500000E+00
|
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P 1
|
|
1 0.195464E+00 1.0000000
|
|
P 1
|
|
1 0.834724E-01 1.0000000
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|
P 1
|
|
1 0.333661E-01 1.0000000
|
|
P 1
|
|
1 0.123500E-01 1.0000000
|
|
D 1
|
|
1 0.400000E+01 1.0000000
|
|
D 1
|
|
1 0.105000E+01 1.0000000
|
|
D 1
|
|
1 0.400000E+00 1.0000000
|
|
D 1
|
|
1 0.150000E+00 1.0000000
|
|
D 1
|
|
1 0.370500E-01 1.0000000
|
|
F 1
|
|
1 0.120000E+01 1.0000000
|
|
F 1
|
|
1 0.520000E+00 1.0000000
|
|
F 1
|
|
1 0.494000E-01 1.0000000
|
|
G 1
|
|
1 0.130000E+01 1.0000000
|
|
G 1
|
|
1 0.617500E-01 1.0000000
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|
|
|
CARBON
|
|
S 9
|
|
1 0.143581E+06 0.267190E-04
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2 0.215133E+05 0.207621E-03
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|
3 0.489740E+04 0.109088E-02
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4 0.138722E+04 0.459228E-02
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5 0.452628E+03 0.165435E-01
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6 0.163519E+03 0.521382E-01
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7 0.639884E+02 0.141043E+00
|
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8 0.271173E+02 0.291555E+00
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9 0.102722E+02 0.500000E+00
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S 3
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|
1 0.156528E+02 0.120341E+00
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2 0.478395E+01 0.500000E+00
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3 0.213710E+01 0.245824E+00
|
|
S 1
|
|
1 0.665860E+00 1.0000000
|
|
S 1
|
|
1 0.259029E+00 1.0000000
|
|
S 1
|
|
1 0.971914E-01 1.0000000
|
|
S 1
|
|
1 0.339220E-01 1.0000000
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P 6
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1 0.147543E+03 0.865129E-03
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2 0.347418E+02 0.718201E-02
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3 0.108264E+02 0.364875E-01
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4 0.415975E+01 0.106349E+00
|
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5 0.170307E+01 0.282579E+00
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|
6 0.731895E+00 0.500000E+00
|
|
P 1
|
|
1 0.315028E+00 1.0000000
|
|
P 1
|
|
1 0.131999E+00 1.0000000
|
|
P 1
|
|
1 0.517848E-01 1.0000000
|
|
P 1
|
|
1 0.188380E-01 1.0000000
|
|
D 1
|
|
1 0.520000E+01 1.0000000
|
|
D 1
|
|
1 0.135000E+01 1.0000000
|
|
D 1
|
|
1 0.520000E+00 1.0000000
|
|
D 1
|
|
1 0.200000E+00 1.0000000
|
|
D 1
|
|
1 0.565130E-01 1.0000000
|
|
F 1
|
|
1 0.150000E+01 1.0000000
|
|
F 1
|
|
1 0.650000E+00 1.0000000
|
|
F 1
|
|
1 0.753510E-01 1.0000000
|
|
G 1
|
|
1 0.140000E+01 1.0000000
|
|
G 1
|
|
1 0.941880E-01 1.0000000
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|
|
|
NITROGEN
|
|
S 9
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|
1 0.215819E+06 0.243667E-04
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2 0.323277E+05 0.189390E-03
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3 0.735786E+04 0.995356E-03
|
|
4 0.208412E+04 0.419220E-02
|
|
5 0.680035E+03 0.151197E-01
|
|
6 0.245689E+03 0.478525E-01
|
|
7 0.961293E+02 0.131016E+00
|
|
8 0.406593E+02 0.280076E+00
|
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9 0.153446E+02 0.500000E+00
|
|
S 3
|
|
1 0.230987E+02 0.110962E+00
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2 0.705507E+01 0.500000E+00
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3 0.310495E+01 0.256277E+00
|
|
S 1
|
|
1 0.963116E+00 1.0000000
|
|
S 1
|
|
1 0.368896E+00 1.0000000
|
|
S 1
|
|
1 0.134427E+00 1.0000000
|
|
S 1
|
|
1 0.456580E-01 1.0000000
|
|
P 6
|
|
1 0.217855E+03 0.812871E-03
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2 0.513777E+02 0.681364E-02
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3 0.160677E+02 0.354302E-01
|
|
4 0.610124E+01 0.109193E+00
|
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5 0.249806E+01 0.286292E+00
|
|
6 0.107148E+01 0.500000E+00
|
|
P 1
|
|
1 0.458362E+00 1.0000000
|
|
P 1
|
|
1 0.189276E+00 1.0000000
|
|
P 1
|
|
1 0.733681E-01 1.0000000
|
|
P 1
|
|
1 0.263930E-01 1.0000000
|
|
D 1
|
|
1 0.600000E+01 1.0000000
|
|
D 1
|
|
1 0.165000E+01 1.0000000
|
|
D 1
|
|
1 0.650000E+00 1.0000000
|
|
D 1
|
|
1 0.250000E+00 1.0000000
|
|
D 1
|
|
1 0.791790E-01 1.0000000
|
|
F 1
|
|
1 0.180000E+01 1.0000000
|
|
F 1
|
|
1 0.770000E+00 1.0000000
|
|
F 1
|
|
1 0.105570E+00 1.0000000
|
|
G 1
|
|
1 0.150000E+01 1.0000000
|
|
G 1
|
|
1 0.131970E+00 1.0000000
|
|
|
|
OXYGEN
|
|
S 9
|
|
1 0.297874E+06 0.229997E-04
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|
2 0.446128E+05 0.178787E-03
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|
3 0.101544E+05 0.939588E-03
|
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4 0.287635E+04 0.395840E-02
|
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5 0.938366E+03 0.142931E-01
|
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6 0.338860E+03 0.453776E-01
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7 0.132417E+03 0.125417E+00
|
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8 0.557372E+02 0.275002E+00
|
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9 0.208655E+02 0.500000E+00
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|
S 3
|
|
1 0.313340E+02 0.108874E+00
|
|
2 0.957343E+01 0.500000E+00
|
|
3 0.420898E+01 0.261071E+00
|
|
S 1
|
|
1 0.132803E+01 1.0000000
|
|
S 1
|
|
1 0.509670E+00 1.0000000
|
|
S 1
|
|
1 0.184277E+00 1.0000000
|
|
S 1
|
|
1 0.621340E-01 1.0000000
|
|
P 6
|
|
1 0.288445E+03 0.828752E-03
|
|
2 0.681261E+02 0.694505E-02
|
|
3 0.215679E+02 0.354837E-01
|
|
4 0.823414E+01 0.112584E+00
|
|
5 0.336796E+01 0.291518E+00
|
|
6 0.143385E+01 0.500000E+00
|
|
P 1
|
|
1 0.600576E+00 1.0000000
|
|
P 1
|
|
1 0.237909E+00 1.0000000
|
|
P 1
|
|
1 0.880635E-01 1.0000000
|
|
P 1
|
|
1 0.303500E-01 1.0000000
|
|
D 1
|
|
1 0.700000E+01 1.0000000
|
|
D 1
|
|
1 0.200000E+01 1.0000000
|
|
D 1
|
|
1 0.800000E+00 1.0000000
|
|
D 1
|
|
1 0.300000E+00 1.0000000
|
|
D 1
|
|
1 0.910510E-01 1.0000000
|
|
F 1
|
|
1 0.210000E+01 1.0000000
|
|
F 1
|
|
1 0.900000E+00 1.0000000
|
|
F 1
|
|
1 0.121400E+00 1.0000000
|
|
G 1
|
|
1 0.160000E+01 1.0000000
|
|
G 1
|
|
1 0.151750E+00 1.0000000
|
|
|
|
FLUORINE
|
|
S 9
|
|
1 0.396439E+06 0.219017E-04
|
|
2 0.593771E+05 0.170257E-03
|
|
3 0.135140E+05 0.894910E-03
|
|
4 0.382771E+04 0.377107E-02
|
|
5 0.124874E+04 0.136243E-01
|
|
6 0.450873E+03 0.433593E-01
|
|
7 0.176024E+03 0.120740E+00
|
|
8 0.738615E+02 0.269907E+00
|
|
9 0.275355E+02 0.500000E+00
|
|
S 3
|
|
1 0.411896E+02 0.105405E+00
|
|
2 0.125741E+02 0.500000E+00
|
|
3 0.550631E+01 0.266435E+00
|
|
S 1
|
|
1 0.174774E+01 1.0000000
|
|
S 1
|
|
1 0.669105E+00 1.0000000
|
|
S 1
|
|
1 0.240012E+00 1.0000000
|
|
S 1
|
|
1 0.803300E-01 1.0000000
|
|
P 6
|
|
1 0.358526E+03 0.875776E-03
|
|
2 0.846998E+02 0.734788E-02
|
|
3 0.268415E+02 0.377440E-01
|
|
4 0.101837E+02 0.121109E+00
|
|
5 0.417654E+01 0.303560E+00
|
|
6 0.177542E+01 0.500000E+00
|
|
P 1
|
|
1 0.741685E+00 1.0000000
|
|
P 1
|
|
1 0.294241E+00 1.0000000
|
|
P 1
|
|
1 0.109976E+00 1.0000000
|
|
P 1
|
|
1 0.382460E-01 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 0.114740E+00 1.0000000
|
|
F 1
|
|
1 0.260000E+01 1.0000000
|
|
F 1
|
|
1 0.105000E+01 1.0000000
|
|
F 1
|
|
1 0.152980E+00 1.0000000
|
|
G 1
|
|
1 0.170000E+01 1.0000000
|
|
G 1
|
|
1 0.191230E+00 1.0000000
|
|
|
|
NEON
|
|
S 9
|
|
1 0.510469E+06 0.210836E-04
|
|
2 0.764520E+05 0.163895E-03
|
|
3 0.174080E+05 0.860786E-03
|
|
4 0.493142E+04 0.362889E-02
|
|
5 0.160817E+04 0.131287E-01
|
|
6 0.580306E+03 0.418754E-01
|
|
7 0.226348E+03 0.117302E+00
|
|
8 0.947307E+02 0.266341E+00
|
|
9 0.352287E+02 0.500000E+00
|
|
S 3
|
|
1 0.524164E+02 0.102520E+00
|
|
2 0.160116E+02 0.500000E+00
|
|
3 0.698003E+01 0.270720E+00
|
|
S 1
|
|
1 0.221793E+01 1.0000000
|
|
S 1
|
|
1 0.844395E+00 1.0000000
|
|
S 1
|
|
1 0.300330E+00 1.0000000
|
|
S 1
|
|
1 0.997260E-01 1.0000000
|
|
P 6
|
|
1 0.440830E+03 0.898725E-03
|
|
2 0.104220E+03 0.754697E-02
|
|
3 0.330574E+02 0.390197E-01
|
|
4 0.124669E+02 0.126861E+00
|
|
5 0.511395E+01 0.311350E+00
|
|
6 0.216841E+01 0.500000E+00
|
|
P 1
|
|
1 0.902938E+00 1.0000000
|
|
P 1
|
|
1 0.358814E+00 1.0000000
|
|
P 1
|
|
1 0.134844E+00 1.0000000
|
|
P 1
|
|
1 0.471320E-01 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 0.141400E+00 1.0000000
|
|
F 1
|
|
1 0.280000E+01 1.0000000
|
|
F 1
|
|
1 0.115000E+01 1.0000000
|
|
F 1
|
|
1 0.188530E+00 1.0000000
|
|
G 1
|
|
1 0.180000E+01 1.0000000
|
|
G 1
|
|
1 0.235660E+00 1.0000000
|
|
|
|
SODIUM
|
|
S 11
|
|
1 0.431559E+06 0.264167E-04
|
|
2 0.646498E+05 0.205316E-03
|
|
3 0.147155E+05 0.107846E-02
|
|
4 0.416919E+04 0.453669E-02
|
|
5 0.136007E+04 0.163312E-01
|
|
6 0.490899E+03 0.514213E-01
|
|
7 0.191567E+03 0.139239E+00
|
|
8 0.791503E+02 0.312440E+00
|
|
9 0.340517E+02 0.519283E+00
|
|
10 0.150457E+02 0.500000E+00
|
|
11 0.665355E+01 0.177126E+00
|
|
S 5
|
|
1 0.131134E+03 -0.461014E-02
|
|
2 0.405944E+02 -0.366414E-01
|
|
3 0.147837E+02 -0.109925E+00
|
|
4 0.262202E+01 0.412302E+00
|
|
5 0.102399E+01 0.500000E+00
|
|
S 2
|
|
1 0.126141E+01 0.288600E+00
|
|
2 0.429184E+00 0.500000E+00
|
|
S 1
|
|
1 0.797567E-01 1.0000000
|
|
S 1
|
|
1 0.369033E-01 1.0000000
|
|
S 1
|
|
1 0.167525E-01 1.0000000
|
|
S 1
|
|
1 0.697190E-02 1.0000000
|
|
P 9
|
|
1 0.114565E+04 0.241579E-03
|
|
2 0.271957E+03 0.208907E-02
|
|
3 0.884085E+02 0.112543E-01
|
|
4 0.330239E+02 0.472821E-01
|
|
5 0.134670E+02 0.137467E+00
|
|
6 0.592527E+01 0.303620E+00
|
|
7 0.266564E+01 0.462045E+00
|
|
8 0.118952E+01 0.500000E+00
|
|
9 0.514436E+00 0.342398E+00
|
|
P 1
|
|
1 0.211923E+00 1.0000000
|
|
P 1
|
|
1 0.100000E+00 1.0000000
|
|
P 1
|
|
1 0.370000E-01 1.0000000
|
|
P 1
|
|
1 0.127470E-01 1.0000000
|
|
D 1
|
|
1 0.910000E+00 1.0000000
|
|
D 1
|
|
1 0.190000E+00 1.0000000
|
|
D 1
|
|
1 0.382400E-01 1.0000000
|
|
F 1
|
|
1 0.270000E+00 1.0000000
|
|
F 1
|
|
1 0.509870E-01 1.0000000
|
|
|
|
MAGNESIUM
|
|
S 11
|
|
1 0.538259E+06 0.245171E-04
|
|
2 0.805844E+05 0.190712E-03
|
|
3 0.183370E+05 0.100214E-02
|
|
4 0.519433E+04 0.421655E-02
|
|
5 0.169476E+04 0.151856E-01
|
|
6 0.611505E+03 0.479832E-01
|
|
7 0.238275E+03 0.131144E+00
|
|
8 0.981804E+02 0.298073E+00
|
|
9 0.422541E+02 0.502336E+00
|
|
10 0.187245E+02 0.500000E+00
|
|
11 0.830456E+01 0.189152E+00
|
|
S 5
|
|
1 0.149806E+03 -0.541681E-02
|
|
2 0.468043E+02 -0.411145E-01
|
|
3 0.174271E+02 -0.116283E+00
|
|
4 0.333187E+01 0.389056E+00
|
|
5 0.137463E+01 0.500000E+00
|
|
S 2
|
|
1 0.174095E+01 0.268043E+00
|
|
2 0.624536E+00 0.500000E+00
|
|
S 1
|
|
1 0.175615E+00 1.0000000
|
|
S 1
|
|
1 0.770183E-01 1.0000000
|
|
S 1
|
|
1 0.312628E-01 1.0000000
|
|
S 1
|
|
1 0.117370E-01 1.0000000
|
|
P 9
|
|
1 0.151559E+04 0.212859E-03
|
|
2 0.359697E+03 0.185065E-02
|
|
3 0.116778E+03 0.101302E-01
|
|
4 0.436050E+02 0.430856E-01
|
|
5 0.179485E+02 0.127024E+00
|
|
6 0.794618E+01 0.290143E+00
|
|
7 0.360728E+01 0.459047E+00
|
|
8 0.164510E+01 0.500000E+00
|
|
9 0.741391E+00 0.336687E+00
|
|
P 1
|
|
1 0.316719E+00 1.0000000
|
|
P 1
|
|
1 0.149000E+00 1.0000000
|
|
P 1
|
|
1 0.550000E-01 1.0000000
|
|
P 1
|
|
1 0.189060E-01 1.0000000
|
|
D 1
|
|
1 0.120000E+01 1.0000000
|
|
D 1
|
|
1 0.250000E+00 1.0000000
|
|
D 1
|
|
1 0.567190E-01 1.0000000
|
|
F 1
|
|
1 0.330000E+00 1.0000000
|
|
F 1
|
|
1 0.756250E-01 1.0000000
|
|
|
|
ALUMINUM
|
|
S 11
|
|
1 0.635250E+06 0.243366E-04
|
|
2 0.951669E+05 0.189110E-03
|
|
3 0.216653E+05 0.993237E-03
|
|
4 0.613837E+04 0.417942E-02
|
|
5 0.200260E+04 0.150561E-01
|
|
6 0.722766E+03 0.475522E-01
|
|
7 0.281889E+03 0.129934E+00
|
|
8 0.116319E+03 0.295447E+00
|
|
9 0.502327E+02 0.497904E+00
|
|
10 0.223656E+02 0.500000E+00
|
|
11 0.997266E+01 0.193745E+00
|
|
S 5
|
|
1 0.173961E+03 -0.560174E-02
|
|
2 0.545143E+02 -0.418847E-01
|
|
3 0.205246E+02 -0.115579E+00
|
|
4 0.406142E+01 0.364710E+00
|
|
5 0.172934E+01 0.500000E+00
|
|
S 2
|
|
1 0.227305E+01 0.250000E+00
|
|
2 0.824936E+00 0.500000E+00
|
|
S 1
|
|
1 0.291801E+00 1.0000000
|
|
S 1
|
|
1 0.126853E+00 1.0000000
|
|
S 1
|
|
1 0.510832E-01 1.0000000
|
|
S 1
|
|
1 0.190380E-01 1.0000000
|
|
P 9
|
|
1 0.204687E+04 0.172759E-03
|
|
2 0.484800E+03 0.151557E-02
|
|
3 0.156899E+03 0.846652E-02
|
|
4 0.585848E+02 0.363402E-01
|
|
5 0.244437E+02 0.108655E+00
|
|
6 0.109115E+02 0.259167E+00
|
|
7 0.501291E+01 0.439384E+00
|
|
8 0.233568E+01 0.500000E+00
|
|
9 0.108523E+01 0.349136E+00
|
|
P 2
|
|
1 0.430592E+01 -0.352805E-01
|
|
2 0.493114E+00 0.500000E+00
|
|
P 1
|
|
1 0.205969E+00 1.0000000
|
|
P 1
|
|
1 0.796936E-01 1.0000000
|
|
P 1
|
|
1 0.290505E-01 1.0000000
|
|
P 1
|
|
1 0.987010E-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 0.296100E-01 1.0000000
|
|
F 1
|
|
1 0.960000E+00 1.0000000
|
|
F 1
|
|
1 0.320000E+00 1.0000000
|
|
F 1
|
|
1 0.394800E-01 1.0000000
|
|
G 1
|
|
1 0.580000E+00 1.0000000
|
|
G 1
|
|
1 0.493510E-01 1.0000000
|
|
|
|
SILICON
|
|
S 11
|
|
1 0.748049E+06 0.237760E-04
|
|
2 0.112062E+06 0.184772E-03
|
|
3 0.255099E+05 0.970572E-03
|
|
4 0.722775E+04 0.408363E-02
|
|
5 0.235872E+04 0.147048E-01
|
|
6 0.851714E+03 0.464497E-01
|
|
7 0.332270E+03 0.127231E+00
|
|
8 0.137070E+03 0.290698E+00
|
|
9 0.592351E+02 0.492331E+00
|
|
10 0.264202E+02 0.500000E+00
|
|
11 0.118097E+02 0.197840E+00
|
|
S 5
|
|
1 0.202163E+03 -0.544356E-02
|
|
2 0.633804E+02 -0.406269E-01
|
|
3 0.240063E+02 -0.111110E+00
|
|
4 0.481496E+01 0.343134E+00
|
|
5 0.211034E+01 0.500000E+00
|
|
S 2
|
|
1 0.287776E+01 0.217578E+00
|
|
2 0.103765E+01 0.500000E+00
|
|
S 1
|
|
1 0.455439E+00 1.0000000
|
|
S 1
|
|
1 0.187219E+00 1.0000000
|
|
S 1
|
|
1 0.734028E-01 1.0000000
|
|
S 1
|
|
1 0.266860E-01 1.0000000
|
|
P 9
|
|
1 0.250318E+04 0.160765E-03
|
|
2 0.593277E+03 0.141088E-02
|
|
3 0.192197E+03 0.790720E-02
|
|
4 0.720058E+02 0.339410E-01
|
|
5 0.302048E+02 0.102547E+00
|
|
6 0.135441E+02 0.247831E+00
|
|
7 0.626317E+01 0.428543E+00
|
|
8 0.292641E+01 0.500000E+00
|
|
9 0.136081E+01 0.338283E+00
|
|
P 2
|
|
1 0.575389E+01 -0.293192E-01
|
|
2 0.618054E+00 0.500000E+00
|
|
P 1
|
|
1 0.269535E+00 1.0000000
|
|
P 1
|
|
1 0.109487E+00 1.0000000
|
|
P 1
|
|
1 0.414472E-01 1.0000000
|
|
P 1
|
|
1 0.145860E-01 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 0.437580E-01 1.0000000
|
|
F 1
|
|
1 0.115000E+01 1.0000000
|
|
F 1
|
|
1 0.380000E+00 1.0000000
|
|
F 1
|
|
1 0.583430E-01 1.0000000
|
|
G 1
|
|
1 0.650000E+00 1.0000000
|
|
G 1
|
|
1 0.729290E-01 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 11
|
|
1 0.865881E+06 0.234857E-04
|
|
2 0.129712E+06 0.182584E-03
|
|
3 0.295250E+05 0.958977E-03
|
|
4 0.836547E+04 0.403497E-02
|
|
5 0.273010E+04 0.145297E-01
|
|
6 0.986127E+03 0.458799E-01
|
|
7 0.385012E+03 0.125675E+00
|
|
8 0.158980E+03 0.287602E+00
|
|
9 0.688397E+02 0.488047E+00
|
|
10 0.307888E+02 0.500000E+00
|
|
11 0.138006E+02 0.201568E+00
|
|
S 5
|
|
1 0.233392E+03 -0.519054E-02
|
|
2 0.731781E+02 -0.388074E-01
|
|
3 0.278301E+02 -0.105853E+00
|
|
4 0.558828E+01 0.330842E+00
|
|
5 0.251070E+01 0.500000E+00
|
|
S 2
|
|
1 0.353778E+01 0.179908E+00
|
|
2 0.125058E+01 0.500000E+00
|
|
S 1
|
|
1 0.665654E+00 1.0000000
|
|
S 1
|
|
1 0.252062E+00 1.0000000
|
|
S 1
|
|
1 0.966638E-01 1.0000000
|
|
S 1
|
|
1 0.344290E-01 1.0000000
|
|
P 9
|
|
1 0.304475E+04 0.148907E-03
|
|
2 0.721515E+03 0.130935E-02
|
|
3 0.233797E+03 0.736812E-02
|
|
4 0.878474E+02 0.316292E-01
|
|
5 0.370332E+02 0.966519E-01
|
|
6 0.166689E+02 0.236916E+00
|
|
7 0.776455E+01 0.417045E+00
|
|
8 0.366060E+01 0.500000E+00
|
|
9 0.171126E+01 0.339192E+00
|
|
P 2
|
|
1 0.720731E+01 -0.278509E-01
|
|
2 0.781371E+00 0.500000E+00
|
|
P 1
|
|
1 0.345477E+00 1.0000000
|
|
P 1
|
|
1 0.143433E+00 1.0000000
|
|
P 1
|
|
1 0.553742E-01 1.0000000
|
|
P 1
|
|
1 0.198460E-01 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 0.595370E-01 1.0000000
|
|
F 1
|
|
1 0.134000E+01 1.0000000
|
|
F 1
|
|
1 0.450000E+00 1.0000000
|
|
F 1
|
|
1 0.793830E-01 1.0000000
|
|
G 1
|
|
1 0.720000E+00 1.0000000
|
|
G 1
|
|
1 0.992280E-01 1.0000000
|
|
|
|
SULFUR
|
|
S 11
|
|
1 0.101074E+07 0.225618E-04
|
|
2 0.151427E+06 0.175352E-03
|
|
3 0.344695E+05 0.921237E-03
|
|
4 0.976496E+04 0.387759E-02
|
|
5 0.318589E+04 0.139773E-01
|
|
6 0.115001E+04 0.442384E-01
|
|
7 0.448520E+03 0.121743E+00
|
|
8 0.184985E+03 0.280284E+00
|
|
9 0.801191E+02 0.479437E+00
|
|
10 0.358655E+02 0.500000E+00
|
|
11 0.160877E+02 0.207627E+00
|
|
S 5
|
|
1 0.263755E+03 -0.578757E-02
|
|
2 0.827162E+02 -0.430355E-01
|
|
3 0.316579E+02 -0.115023E+00
|
|
4 0.659057E+01 0.332765E+00
|
|
5 0.304323E+01 0.500000E+00
|
|
S 2
|
|
1 0.423394E+01 0.201657E+00
|
|
2 0.157406E+01 0.500000E+00
|
|
S 1
|
|
1 0.755526E+00 1.0000000
|
|
S 1
|
|
1 0.304676E+00 1.0000000
|
|
S 1
|
|
1 0.118500E+00 1.0000000
|
|
S 1
|
|
1 0.427620E-01 1.0000000
|
|
P 9
|
|
1 0.366448E+04 0.137955E-03
|
|
2 0.868402E+03 0.121507E-02
|
|
3 0.281346E+03 0.687114E-02
|
|
4 0.105919E+03 0.295327E-01
|
|
5 0.448131E+02 0.913082E-01
|
|
6 0.202281E+02 0.226926E+00
|
|
7 0.946953E+01 0.407393E+00
|
|
8 0.449386E+01 0.500000E+00
|
|
9 0.211816E+01 0.340143E+00
|
|
P 2
|
|
1 0.858205E+01 -0.275220E-01
|
|
2 0.984836E+00 0.500000E+00
|
|
P 1
|
|
1 0.424854E+00 1.0000000
|
|
P 1
|
|
1 0.171874E+00 1.0000000
|
|
P 1
|
|
1 0.652722E-01 1.0000000
|
|
P 1
|
|
1 0.230380E-01 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 0.691150E-01 1.0000000
|
|
F 1
|
|
1 0.153000E+01 1.0000000
|
|
F 1
|
|
1 0.510000E+00 1.0000000
|
|
F 1
|
|
1 0.921540E-01 1.0000000
|
|
G 1
|
|
1 0.790000E+00 1.0000000
|
|
G 1
|
|
1 0.115190E+00 1.0000000
|
|
|
|
CHLORINE
|
|
S 11
|
|
1 0.114608E+07 0.224286E-04
|
|
2 0.171800E+06 0.174140E-03
|
|
3 0.391242E+05 0.914478E-03
|
|
4 0.110874E+05 0.384764E-02
|
|
5 0.361848E+04 0.138653E-01
|
|
6 0.130646E+04 0.438901E-01
|
|
7 0.509667E+03 0.120858E+00
|
|
8 0.210317E+03 0.278437E+00
|
|
9 0.912666E+02 0.476404E+00
|
|
10 0.409763E+02 0.500000E+00
|
|
11 0.184427E+02 0.210971E+00
|
|
S 5
|
|
1 0.297055E+03 -0.634511E-02
|
|
2 0.931387E+02 -0.471238E-01
|
|
3 0.357950E+02 -0.124305E+00
|
|
4 0.767930E+01 0.333888E+00
|
|
5 0.364552E+01 0.500000E+00
|
|
S 2
|
|
1 0.500072E+01 0.211972E+00
|
|
2 0.192948E+01 0.500000E+00
|
|
S 1
|
|
1 0.871033E+00 1.0000000
|
|
S 1
|
|
1 0.360759E+00 1.0000000
|
|
S 1
|
|
1 0.141224E+00 1.0000000
|
|
S 1
|
|
1 0.512700E-01 1.0000000
|
|
P 9
|
|
1 0.439743E+04 0.126097E-03
|
|
2 0.104075E+04 0.111479E-02
|
|
3 0.336946E+03 0.633485E-02
|
|
4 0.127121E+03 0.272339E-01
|
|
5 0.539945E+02 0.851720E-01
|
|
6 0.244350E+02 0.215037E+00
|
|
7 0.114847E+02 0.395274E+00
|
|
8 0.547323E+01 0.500000E+00
|
|
9 0.258927E+01 0.344994E+00
|
|
P 2
|
|
1 0.101112E+02 -0.283652E-01
|
|
2 0.121527E+01 0.500000E+00
|
|
P 1
|
|
1 0.523747E+00 1.0000000
|
|
P 1
|
|
1 0.212167E+00 1.0000000
|
|
P 1
|
|
1 0.808722E-01 1.0000000
|
|
P 1
|
|
1 0.286430E-01 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 0.859280E-01 1.0000000
|
|
F 1
|
|
1 0.172000E+01 1.0000000
|
|
F 1
|
|
1 0.570000E+00 1.0000000
|
|
F 1
|
|
1 0.114570E+00 1.0000000
|
|
G 1
|
|
1 0.860000E+00 1.0000000
|
|
G 1
|
|
1 0.143210E+00 1.0000000
|
|
|
|
ARGON
|
|
S 11
|
|
1 0.130960E+07 0.217804E-04
|
|
2 0.196111E+06 0.169353E-03
|
|
3 0.446329E+05 0.889843E-03
|
|
4 0.126447E+05 0.374519E-02
|
|
5 0.412645E+04 0.134968E-01
|
|
6 0.149033E+04 0.427260E-01
|
|
7 0.581551E+03 0.117900E+00
|
|
8 0.239979E+03 0.272706E+00
|
|
9 0.104212E+03 0.469546E+00
|
|
10 0.468349E+02 0.500000E+00
|
|
11 0.210969E+02 0.216257E+00
|
|
S 5
|
|
1 0.333625E+03 -0.673933E-02
|
|
2 0.104544E+03 -0.501580E-01
|
|
3 0.402798E+02 -0.131447E+00
|
|
4 0.881657E+01 0.333859E+00
|
|
5 0.429942E+01 0.500000E+00
|
|
S 2
|
|
1 0.584882E+01 0.210324E+00
|
|
2 0.231292E+01 0.500000E+00
|
|
S 1
|
|
1 0.103369E+01 1.0000000
|
|
S 1
|
|
1 0.428730E+00 1.0000000
|
|
S 1
|
|
1 0.167162E+00 1.0000000
|
|
S 1
|
|
1 0.604620E-01 1.0000000
|
|
P 9
|
|
1 0.515675E+04 0.118563E-03
|
|
2 0.122069E+04 0.104923E-02
|
|
3 0.395230E+03 0.597979E-02
|
|
4 0.149337E+03 0.257533E-01
|
|
5 0.635078E+02 0.815398E-01
|
|
6 0.287617E+02 0.208237E+00
|
|
7 0.135620E+02 0.387737E+00
|
|
8 0.649602E+01 0.500000E+00
|
|
9 0.308571E+01 0.347642E+00
|
|
P 2
|
|
1 0.117970E+02 -0.289027E-01
|
|
2 0.146067E+01 0.500000E+00
|
|
P 1
|
|
1 0.630234E+00 1.0000000
|
|
P 1
|
|
1 0.256759E+00 1.0000000
|
|
P 1
|
|
1 0.982268E-01 1.0000000
|
|
P 1
|
|
1 0.349070E-01 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 0.104720E+00 1.0000000
|
|
F 1
|
|
1 0.191000E+01 1.0000000
|
|
F 1
|
|
1 0.630000E+00 1.0000000
|
|
F 1
|
|
1 0.139630E+00 1.0000000
|
|
G 1
|
|
1 0.930000E+00 1.0000000
|
|
G 1
|
|
1 0.174540E+00 1.0000000
|
|
|
|
POTASSIUM
|
|
S 12
|
|
1 0.247246E+07 0.113972E-04
|
|
2 0.371183E+06 0.882800E-04
|
|
3 0.846645E+05 0.462945E-03
|
|
4 0.240184E+05 0.194945E-02
|
|
5 0.784690E+04 0.705236E-02
|
|
6 0.283763E+04 0.226145E-01
|
|
7 0.110937E+04 0.645000E-01
|
|
8 0.459881E+03 0.162261E+00
|
|
9 0.199253E+03 0.335601E+00
|
|
10 0.900595E+02 0.500000E+00
|
|
11 0.416980E+02 0.432801E+00
|
|
12 0.191727E+02 0.130845E+00
|
|
S 7
|
|
1 0.818663E+03 -0.950312E-03
|
|
2 0.253014E+03 -0.950862E-02
|
|
3 0.983817E+02 -0.414000E-01
|
|
4 0.431151E+02 -0.894432E-01
|
|
5 0.935371E+01 0.328938E+00
|
|
6 0.452432E+01 0.500000E+00
|
|
7 0.214197E+01 0.216070E+00
|
|
S 4
|
|
1 0.706502E+01 -0.876259E-01
|
|
2 0.301425E+01 -0.224659E+00
|
|
3 0.115145E+01 0.337000E+00
|
|
4 0.525048E+00 0.500000E+00
|
|
S 2
|
|
1 0.558086E+00 0.356900E+00
|
|
2 0.229695E+00 0.500000E+00
|
|
S 1
|
|
1 0.488886E-01 1.0000000
|
|
S 1
|
|
1 0.219495E-01 1.0000000
|
|
S 1
|
|
1 0.103069E-01 1.0000000
|
|
S 1
|
|
1 0.442430E-02 1.0000000
|
|
P 10
|
|
1 0.662518E+04 0.966695E-04
|
|
2 0.157135E+04 0.853591E-03
|
|
3 0.510460E+03 0.486370E-02
|
|
4 0.194737E+03 0.207031E-01
|
|
5 0.837452E+02 0.672837E-01
|
|
6 0.380740E+02 0.177924E+00
|
|
7 0.180726E+02 0.354375E+00
|
|
8 0.868177E+01 0.500000E+00
|
|
9 0.421564E+01 0.403318E+00
|
|
10 0.201500E+01 0.139648E+00
|
|
P 5
|
|
1 0.336606E+02 -0.415066E-02
|
|
2 0.116890E+02 -0.244726E-01
|
|
3 0.184380E+01 0.253287E+00
|
|
4 0.937902E+00 0.500000E+00
|
|
5 0.482509E+00 0.540790E+00
|
|
P 1
|
|
1 0.238154E+00 1.0000000
|
|
P 1
|
|
1 0.109829E+00 1.0000000
|
|
P 1
|
|
1 0.380000E-01 1.0000000
|
|
P 1
|
|
1 0.122970E-01 1.0000000
|
|
D 3
|
|
1 0.184859E+02 0.323278E-01
|
|
2 0.508172E+01 0.172572E+00
|
|
3 0.162402E+01 0.500000E+00
|
|
D 1
|
|
1 0.543194E+00 1.0000000
|
|
D 1
|
|
1 0.164843E+00 1.0000000
|
|
D 1
|
|
1 0.480467E-01 1.0000000
|
|
D 1
|
|
1 0.132330E-01 1.0000000
|
|
F 1
|
|
1 0.400000E+00 1.0000000
|
|
F 1
|
|
1 0.491870E-01 1.0000000
|
|
|
|
CALCIUM
|
|
S 12
|
|
1 0.279625E+07 0.111592E-04
|
|
2 0.419437E+06 0.865255E-04
|
|
3 0.956644E+05 0.453517E-03
|
|
4 0.271562E+05 0.190772E-02
|
|
5 0.887646E+04 0.690101E-02
|
|
6 0.320983E+04 0.221504E-01
|
|
7 0.125439E+04 0.633142E-01
|
|
8 0.519530E+03 0.159921E+00
|
|
9 0.224977E+03 0.332431E+00
|
|
10 0.101667E+03 0.500000E+00
|
|
11 0.470613E+02 0.439713E+00
|
|
12 0.216342E+02 0.136325E+00
|
|
S 7
|
|
1 0.904277E+03 -0.978393E-03
|
|
2 0.279646E+03 -0.978594E-02
|
|
3 0.108700E+03 -0.426231E-01
|
|
4 0.477993E+02 -0.908370E-01
|
|
5 0.105037E+02 0.333393E+00
|
|
6 0.513457E+01 0.500000E+00
|
|
7 0.247401E+01 0.219087E+00
|
|
S 4
|
|
1 0.817106E+01 -0.947777E-01
|
|
2 0.361520E+01 -0.252821E+00
|
|
3 0.130403E+01 0.374021E+00
|
|
4 0.634005E+00 0.500000E+00
|
|
S 2
|
|
1 0.706987E+00 0.358574E+00
|
|
2 0.307995E+00 0.500000E+00
|
|
S 1
|
|
1 0.933360E-01 1.0000000
|
|
S 1
|
|
1 0.452866E-01 1.0000000
|
|
S 1
|
|
1 0.201620E-01 1.0000000
|
|
S 1
|
|
1 0.824240E-02 1.0000000
|
|
P 10
|
|
1 0.783767E+04 0.886835E-04
|
|
2 0.185706E+04 0.785761E-03
|
|
3 0.602744E+03 0.449455E-02
|
|
4 0.230367E+03 0.191434E-01
|
|
5 0.991436E+02 0.632050E-01
|
|
6 0.451012E+02 0.169421E+00
|
|
7 0.214466E+02 0.345467E+00
|
|
8 0.103473E+02 0.500000E+00
|
|
9 0.506227E+01 0.419305E+00
|
|
10 0.244033E+01 0.154814E+00
|
|
P 5
|
|
1 0.371534E+02 -0.478934E-02
|
|
2 0.132313E+02 -0.269627E-01
|
|
3 0.216239E+01 0.272275E+00
|
|
4 0.113552E+01 0.500000E+00
|
|
5 0.621130E+00 0.525083E+00
|
|
P 1
|
|
1 0.328276E+00 1.0000000
|
|
P 1
|
|
1 0.156980E+00 1.0000000
|
|
P 1
|
|
1 0.523000E-01 1.0000000
|
|
P 1
|
|
1 0.163360E-01 1.0000000
|
|
D 3
|
|
1 0.231261E+02 0.303986E-01
|
|
2 0.641028E+01 0.168927E+00
|
|
3 0.208332E+01 0.500000E+00
|
|
D 1
|
|
1 0.715861E+00 1.0000000
|
|
D 1
|
|
1 0.226575E+00 1.0000000
|
|
D 1
|
|
1 0.671729E-01 1.0000000
|
|
D 1
|
|
1 0.188000E-01 1.0000000
|
|
F 1
|
|
1 0.500000E+00 1.0000000
|
|
F 1
|
|
1 0.653440E-01 1.0000000
|
|
|
|
SCANDIUM
|
|
S 12
|
|
1 0.310070E+07 0.110876E-04
|
|
2 0.465204E+06 0.859638E-04
|
|
3 0.106074E+06 0.450806E-03
|
|
4 0.301031E+05 0.189688E-02
|
|
5 0.983742E+04 0.686481E-02
|
|
6 0.355577E+04 0.220558E-01
|
|
7 0.138870E+04 0.631182E-01
|
|
8 0.574834E+03 0.159625E+00
|
|
9 0.248846E+03 0.332258E+00
|
|
10 0.112461E+03 0.500000E+00
|
|
11 0.521180E+02 0.439854E+00
|
|
12 0.240098E+02 0.136799E+00
|
|
S 7
|
|
1 0.100101E+04 -0.988272E-03
|
|
2 0.309505E+03 -0.990708E-02
|
|
3 0.120183E+03 -0.433840E-01
|
|
4 0.528902E+02 -0.920535E-01
|
|
5 0.117171E+02 0.337380E+00
|
|
6 0.576463E+01 0.500000E+00
|
|
7 0.280358E+01 0.217970E+00
|
|
S 4
|
|
1 0.922031E+01 -0.939073E-01
|
|
2 0.415244E+01 -0.249165E+00
|
|
3 0.152372E+01 0.352033E+00
|
|
4 0.749389E+00 0.500000E+00
|
|
S 2
|
|
1 0.830119E+00 0.329127E+00
|
|
2 0.363689E+00 0.500000E+00
|
|
S 1
|
|
1 0.115804E+00 1.0000000
|
|
S 1
|
|
1 0.544806E-01 1.0000000
|
|
S 1
|
|
1 0.234240E-01 1.0000000
|
|
S 1
|
|
1 0.927370E-02 1.0000000
|
|
P 10
|
|
1 0.901973E+04 0.842603E-04
|
|
2 0.214040E+04 0.744868E-03
|
|
3 0.695800E+03 0.425651E-02
|
|
4 0.266575E+03 0.181364E-01
|
|
5 0.114739E+03 0.606500E-01
|
|
6 0.522030E+02 0.164269E+00
|
|
7 0.248530E+02 0.340228E+00
|
|
8 0.120376E+02 0.500000E+00
|
|
9 0.592387E+01 0.429585E+00
|
|
10 0.287436E+01 0.164173E+00
|
|
P 5
|
|
1 0.411010E+02 -0.553975E-02
|
|
2 0.148741E+02 -0.300504E-01
|
|
3 0.250337E+01 0.300351E+00
|
|
4 0.133619E+01 0.500000E+00
|
|
5 0.779994E+00 0.517555E+00
|
|
P 1
|
|
1 0.420521E+00 1.0000000
|
|
P 1
|
|
1 0.196312E+00 1.0000000
|
|
P 1
|
|
1 0.610000E-01 1.0000000
|
|
P 1
|
|
1 0.178460E-01 1.0000000
|
|
D 7
|
|
1 0.138210E+03 0.105080E-02
|
|
2 0.411336E+02 0.867784E-02
|
|
3 0.159431E+02 0.360845E-01
|
|
4 0.720107E+01 0.102756E+00
|
|
5 0.323343E+01 0.249614E+00
|
|
6 0.150815E+01 0.405895E+00
|
|
7 0.697360E+00 0.500000E+00
|
|
D 1
|
|
1 0.307203E+00 1.0000000
|
|
D 1
|
|
1 0.129157E+00 1.0000000
|
|
D 1
|
|
1 0.489267E-01 1.0000000
|
|
D 1
|
|
1 0.172290E-01 1.0000000
|
|
F 1
|
|
1 0.397100E+01 1.0000000
|
|
F 1
|
|
1 0.110300E+01 1.0000000
|
|
F 1
|
|
1 0.306000E+00 1.0000000
|
|
F 1
|
|
1 0.713820E-01 1.0000000
|
|
G 1
|
|
1 0.264700E+01 1.0000000
|
|
G 1
|
|
1 0.588000E+00 1.0000000
|
|
G 1
|
|
1 0.892280E-01 1.0000000
|
|
H 1
|
|
1 0.134100E+01 1.0000000
|
|
H 1
|
|
1 0.107070E+00 1.0000000
|
|
|
|
TITANIUM
|
|
S 12
|
|
1 0.339573E+07 0.111446E-04
|
|
2 0.509215E+06 0.864691E-04
|
|
3 0.116048E+06 0.453826E-03
|
|
4 0.329126E+05 0.191120E-02
|
|
5 0.107518E+05 0.691627E-02
|
|
6 0.388741E+04 0.221977E-01
|
|
7 0.151959E+04 0.634041E-01
|
|
8 0.629898E+03 0.160028E+00
|
|
9 0.273120E+03 0.332616E+00
|
|
10 0.123645E+03 0.500000E+00
|
|
11 0.574205E+02 0.440182E+00
|
|
12 0.265110E+02 0.137418E+00
|
|
S 7
|
|
1 0.110206E+04 -0.993974E-03
|
|
2 0.340753E+03 -0.997845E-02
|
|
3 0.132260E+03 -0.438556E-01
|
|
4 0.582697E+02 -0.927378E-01
|
|
5 0.129745E+02 0.342056E+00
|
|
6 0.638972E+01 0.500000E+00
|
|
7 0.311819E+01 0.211513E+00
|
|
S 4
|
|
1 0.103895E+02 -0.877155E-01
|
|
2 0.481267E+01 -0.231821E+00
|
|
3 0.163994E+01 0.378125E+00
|
|
4 0.799868E+00 0.500000E+00
|
|
S 2
|
|
1 0.941409E+00 0.318783E+00
|
|
2 0.398146E+00 0.500000E+00
|
|
S 1
|
|
1 0.146955E+00 1.0000000
|
|
S 1
|
|
1 0.652933E-01 1.0000000
|
|
S 1
|
|
1 0.270190E-01 1.0000000
|
|
S 1
|
|
1 0.103260E-01 1.0000000
|
|
P 10
|
|
1 0.103324E+05 0.802340E-04
|
|
2 0.244958E+04 0.710671E-03
|
|
3 0.796259E+03 0.406622E-02
|
|
4 0.305418E+03 0.173527E-01
|
|
5 0.131439E+03 0.586201E-01
|
|
6 0.598505E+02 0.159963E+00
|
|
7 0.285536E+02 0.335456E+00
|
|
8 0.138938E+02 0.500000E+00
|
|
9 0.687776E+01 0.440560E+00
|
|
10 0.335778E+01 0.174757E+00
|
|
P 5
|
|
1 0.454214E+02 -0.708509E-02
|
|
2 0.166224E+02 -0.373353E-01
|
|
3 0.286907E+01 0.366148E+00
|
|
4 0.159113E+01 0.500000E+00
|
|
5 0.100477E+01 0.614547E+00
|
|
P 1
|
|
1 0.528659E+00 1.0000000
|
|
P 1
|
|
1 0.239688E+00 1.0000000
|
|
P 1
|
|
1 0.710000E-01 1.0000000
|
|
P 1
|
|
1 0.198550E-01 1.0000000
|
|
D 7
|
|
1 0.165036E+03 0.983163E-03
|
|
2 0.490929E+02 0.828830E-02
|
|
3 0.189753E+02 0.359549E-01
|
|
4 0.846339E+01 0.106492E+00
|
|
5 0.378671E+01 0.259801E+00
|
|
6 0.175592E+01 0.420518E+00
|
|
7 0.805574E+00 0.500000E+00
|
|
D 1
|
|
1 0.358987E+00 1.0000000
|
|
D 1
|
|
1 0.153531E+00 1.0000000
|
|
D 1
|
|
1 0.603922E-01 1.0000000
|
|
D 1
|
|
1 0.220230E-01 1.0000000
|
|
F 1
|
|
1 0.436800E+01 1.0000000
|
|
F 1
|
|
1 0.121300E+01 1.0000000
|
|
F 1
|
|
1 0.337000E+00 1.0000000
|
|
F 1
|
|
1 0.794210E-01 1.0000000
|
|
G 1
|
|
1 0.291200E+01 1.0000000
|
|
G 1
|
|
1 0.647000E+00 1.0000000
|
|
G 1
|
|
1 0.992760E-01 1.0000000
|
|
H 1
|
|
1 0.147500E+01 1.0000000
|
|
H 1
|
|
1 0.119130E+00 1.0000000
|
|
|
|
VANADIUM
|
|
S 12
|
|
1 0.372680E+07 0.110898E-04
|
|
2 0.558334E+06 0.861569E-04
|
|
3 0.127174E+06 0.452414E-03
|
|
4 0.360543E+05 0.190620E-02
|
|
5 0.117735E+05 0.690272E-02
|
|
6 0.425452E+04 0.221716E-01
|
|
7 0.166260E+04 0.633323E-01
|
|
8 0.689179E+03 0.159908E+00
|
|
9 0.298762E+03 0.332765E+00
|
|
10 0.135228E+03 0.500000E+00
|
|
11 0.628684E+02 0.439053E+00
|
|
12 0.290948E+02 0.137007E+00
|
|
S 7
|
|
1 0.121152E+04 -0.993660E-03
|
|
2 0.374376E+03 -0.100066E-01
|
|
3 0.145164E+03 -0.442391E-01
|
|
4 0.639511E+02 -0.934763E-01
|
|
5 0.143114E+02 0.345446E+00
|
|
6 0.705766E+01 0.500000E+00
|
|
7 0.345452E+01 0.206634E+00
|
|
S 4
|
|
1 0.116053E+02 -0.836582E-01
|
|
2 0.550642E+01 -0.219883E+00
|
|
3 0.177446E+01 0.401924E+00
|
|
4 0.857639E+00 0.500000E+00
|
|
S 2
|
|
1 0.104606E+01 0.308338E+00
|
|
2 0.429899E+00 0.500000E+00
|
|
S 1
|
|
1 0.178464E+00 1.0000000
|
|
S 1
|
|
1 0.742141E-01 1.0000000
|
|
S 1
|
|
1 0.298169E-01 1.0000000
|
|
S 1
|
|
1 0.110890E-01 1.0000000
|
|
P 10
|
|
1 0.117508E+05 0.761999E-04
|
|
2 0.278652E+04 0.675079E-03
|
|
3 0.906009E+03 0.386664E-02
|
|
4 0.347751E+03 0.165525E-01
|
|
5 0.149434E+03 0.566078E-01
|
|
6 0.679612E+02 0.156088E+00
|
|
7 0.324008E+02 0.331659E+00
|
|
8 0.157903E+02 0.500000E+00
|
|
9 0.783331E+01 0.447539E+00
|
|
10 0.383374E+01 0.179950E+00
|
|
P 5
|
|
1 0.497583E+02 -0.836526E-02
|
|
2 0.184053E+02 -0.426098E-01
|
|
3 0.327075E+01 0.407121E+00
|
|
4 0.185003E+01 0.500000E+00
|
|
5 0.119981E+01 0.695630E+00
|
|
P 1
|
|
1 0.620811E+00 1.0000000
|
|
P 1
|
|
1 0.278004E+00 1.0000000
|
|
P 1
|
|
1 0.810000E-01 1.0000000
|
|
P 1
|
|
1 0.223010E-01 1.0000000
|
|
D 7
|
|
1 0.194567E+03 0.930541E-03
|
|
2 0.579377E+02 0.793990E-02
|
|
3 0.224673E+02 0.351964E-01
|
|
4 0.998177E+01 0.107911E+00
|
|
5 0.447242E+01 0.262854E+00
|
|
6 0.208352E+01 0.424873E+00
|
|
7 0.961171E+00 0.500000E+00
|
|
D 1
|
|
1 0.431219E+00 1.0000000
|
|
D 1
|
|
1 0.184866E+00 1.0000000
|
|
D 1
|
|
1 0.725455E-01 1.0000000
|
|
D 1
|
|
1 0.263970E-01 1.0000000
|
|
F 1
|
|
1 0.480400E+01 1.0000000
|
|
F 1
|
|
1 0.133500E+01 1.0000000
|
|
F 1
|
|
1 0.371000E+00 1.0000000
|
|
F 1
|
|
1 0.892030E-01 1.0000000
|
|
G 1
|
|
1 0.320300E+01 1.0000000
|
|
G 1
|
|
1 0.712000E+00 1.0000000
|
|
G 1
|
|
1 0.111500E+00 1.0000000
|
|
H 1
|
|
1 0.162300E+01 1.0000000
|
|
H 1
|
|
1 0.133810E+00 1.0000000
|
|
|
|
CHROMIUM
|
|
S 12
|
|
1 0.404636E+07 0.111218E-04
|
|
2 0.607251E+06 0.862279E-04
|
|
3 0.138402E+06 0.452517E-03
|
|
4 0.392571E+05 0.190616E-02
|
|
5 0.128118E+05 0.691388E-02
|
|
6 0.462725E+04 0.222036E-01
|
|
7 0.180901E+04 0.633389E-01
|
|
8 0.750528E+03 0.159775E+00
|
|
9 0.325592E+03 0.332574E+00
|
|
10 0.147413E+03 0.500000E+00
|
|
11 0.685663E+02 0.438565E+00
|
|
12 0.317737E+02 0.136439E+00
|
|
S 7
|
|
1 0.132461E+04 -0.994409E-03
|
|
2 0.409551E+03 -0.100310E-01
|
|
3 0.158686E+03 -0.446041E-01
|
|
4 0.698910E+02 -0.942107E-01
|
|
5 0.157421E+02 0.346811E+00
|
|
6 0.778448E+01 0.500000E+00
|
|
7 0.382218E+01 0.204281E+00
|
|
S 4
|
|
1 0.127986E+02 -0.829964E-01
|
|
2 0.616482E+01 -0.212938E+00
|
|
3 0.196966E+01 0.404027E+00
|
|
4 0.942565E+00 0.500000E+00
|
|
S 2
|
|
1 0.114913E+01 0.310101E+00
|
|
2 0.465113E+00 0.500000E+00
|
|
S 1
|
|
1 0.204690E+00 1.0000000
|
|
S 1
|
|
1 0.816261E-01 1.0000000
|
|
S 1
|
|
1 0.321733E-01 1.0000000
|
|
S 1
|
|
1 0.117550E-01 1.0000000
|
|
P 10
|
|
1 0.130842E+05 0.742767E-04
|
|
2 0.310704E+04 0.656926E-03
|
|
3 0.101088E+04 0.376239E-02
|
|
4 0.388334E+03 0.161302E-01
|
|
5 0.166790E+03 0.555451E-01
|
|
6 0.758239E+02 0.154234E+00
|
|
7 0.361388E+02 0.330218E+00
|
|
8 0.176434E+02 0.500000E+00
|
|
9 0.877653E+01 0.449558E+00
|
|
10 0.431545E+01 0.181232E+00
|
|
P 5
|
|
1 0.545589E+02 -0.916916E-02
|
|
2 0.203156E+02 -0.456635E-01
|
|
3 0.366796E+01 0.443458E+00
|
|
4 0.204662E+01 0.500000E+00
|
|
5 0.140325E+01 0.685281E+00
|
|
P 1
|
|
1 0.724129E+00 1.0000000
|
|
P 1
|
|
1 0.320094E+00 1.0000000
|
|
P 1
|
|
1 0.900000E-01 1.0000000
|
|
P 1
|
|
1 0.239580E-01 1.0000000
|
|
D 7
|
|
1 0.218477E+03 0.947092E-03
|
|
2 0.652263E+02 0.811624E-02
|
|
3 0.252901E+02 0.365582E-01
|
|
4 0.112281E+02 0.112333E+00
|
|
5 0.506407E+01 0.270480E+00
|
|
6 0.236888E+01 0.431385E+00
|
|
7 0.109599E+01 0.500000E+00
|
|
D 1
|
|
1 0.492473E+00 1.0000000
|
|
D 1
|
|
1 0.210459E+00 1.0000000
|
|
D 1
|
|
1 0.819146E-01 1.0000000
|
|
D 1
|
|
1 0.295800E-01 1.0000000
|
|
F 1
|
|
1 0.528500E+01 1.0000000
|
|
F 1
|
|
1 0.146800E+01 1.0000000
|
|
F 1
|
|
1 0.408000E+00 1.0000000
|
|
F 1
|
|
1 0.958310E-01 1.0000000
|
|
G 1
|
|
1 0.352300E+01 1.0000000
|
|
G 1
|
|
1 0.783000E+00 1.0000000
|
|
G 1
|
|
1 0.119790E+00 1.0000000
|
|
H 1
|
|
1 0.178500E+01 1.0000000
|
|
H 1
|
|
1 0.143750E+00 1.0000000
|
|
|
|
MANGANESE
|
|
S 12
|
|
1 0.448773E+07 0.108168E-04
|
|
2 0.671826E+06 0.843577E-04
|
|
3 0.152308E+06 0.446022E-03
|
|
4 0.430199E+05 0.188646E-02
|
|
5 0.140164E+05 0.684447E-02
|
|
6 0.505882E+04 0.220114E-01
|
|
7 0.197496E+04 0.629722E-01
|
|
8 0.818030E+03 0.159270E+00
|
|
9 0.354401E+03 0.332240E+00
|
|
10 0.160310E+03 0.500000E+00
|
|
11 0.745724E+02 0.438143E+00
|
|
12 0.345987E+02 0.136118E+00
|
|
S 7
|
|
1 0.144474E+04 -0.992336E-03
|
|
2 0.447053E+03 -0.100046E-01
|
|
3 0.173147E+03 -0.447735E-01
|
|
4 0.761984E+02 -0.948448E-01
|
|
5 0.172140E+02 0.349398E+00
|
|
6 0.851554E+01 0.500000E+00
|
|
7 0.418690E+01 0.199573E+00
|
|
S 4
|
|
1 0.140793E+02 -0.824944E-01
|
|
2 0.689728E+01 -0.208062E+00
|
|
3 0.214639E+01 0.419056E+00
|
|
4 0.101894E+01 0.500000E+00
|
|
S 2
|
|
1 0.125259E+01 0.310437E+00
|
|
2 0.499379E+00 0.500000E+00
|
|
S 1
|
|
1 0.230649E+00 1.0000000
|
|
S 1
|
|
1 0.886711E-01 1.0000000
|
|
S 1
|
|
1 0.343482E-01 1.0000000
|
|
S 1
|
|
1 0.123490E-01 1.0000000
|
|
P 10
|
|
1 0.144709E+05 0.731315E-04
|
|
2 0.343134E+04 0.648405E-03
|
|
3 0.111617E+04 0.371528E-02
|
|
4 0.428795E+03 0.159662E-01
|
|
5 0.184094E+03 0.551706E-01
|
|
6 0.837944E+02 0.153397E+00
|
|
7 0.400294E+02 0.329204E+00
|
|
8 0.196230E+02 0.500000E+00
|
|
9 0.979706E+01 0.453678E+00
|
|
10 0.482978E+01 0.184382E+00
|
|
P 5
|
|
1 0.595563E+02 -0.988364E-02
|
|
2 0.222895E+02 -0.481790E-01
|
|
3 0.411630E+01 0.458003E+00
|
|
4 0.230374E+01 0.500000E+00
|
|
5 0.159285E+01 0.712282E+00
|
|
P 1
|
|
1 0.816247E+00 1.0000000
|
|
P 1
|
|
1 0.358559E+00 1.0000000
|
|
P 1
|
|
1 0.100000E+00 1.0000000
|
|
P 1
|
|
1 0.264160E-01 1.0000000
|
|
D 7
|
|
1 0.251812E+03 0.898101E-03
|
|
2 0.753458E+02 0.774688E-02
|
|
3 0.292838E+02 0.355546E-01
|
|
4 0.129653E+02 0.112082E+00
|
|
5 0.585767E+01 0.270511E+00
|
|
6 0.274959E+01 0.432849E+00
|
|
7 0.127702E+01 0.500000E+00
|
|
D 1
|
|
1 0.576386E+00 1.0000000
|
|
D 1
|
|
1 0.246893E+00 1.0000000
|
|
D 1
|
|
1 0.961496E-01 1.0000000
|
|
D 1
|
|
1 0.347390E-01 1.0000000
|
|
F 1
|
|
1 0.581300E+01 1.0000000
|
|
F 1
|
|
1 0.161500E+01 1.0000000
|
|
F 1
|
|
1 0.449000E+00 1.0000000
|
|
F 1
|
|
1 0.105660E+00 1.0000000
|
|
G 1
|
|
1 0.387600E+01 1.0000000
|
|
G 1
|
|
1 0.861000E+00 1.0000000
|
|
G 1
|
|
1 0.132080E+00 1.0000000
|
|
H 1
|
|
1 0.196400E+01 1.0000000
|
|
H 1
|
|
1 0.158500E+00 1.0000000
|
|
|
|
IRON
|
|
S 12
|
|
1 0.484558E+07 0.108788E-04
|
|
2 0.726471E+06 0.844138E-04
|
|
3 0.165609E+06 0.442899E-03
|
|
4 0.469537E+05 0.186743E-02
|
|
5 0.153171E+05 0.677937E-02
|
|
6 0.552445E+04 0.218525E-01
|
|
7 0.215390E+04 0.626769E-01
|
|
8 0.890970E+03 0.158837E+00
|
|
9 0.385952E+03 0.331472E+00
|
|
10 0.174749E+03 0.500000E+00
|
|
11 0.813763E+02 0.441364E+00
|
|
12 0.377707E+02 0.138828E+00
|
|
S 7
|
|
1 0.155768E+04 -0.100742E-02
|
|
2 0.482614E+03 -0.101288E-01
|
|
3 0.187148E+03 -0.452271E-01
|
|
4 0.825644E+02 -0.952342E-01
|
|
5 0.187822E+02 0.350681E+00
|
|
6 0.930948E+01 0.500000E+00
|
|
7 0.458958E+01 0.197703E+00
|
|
S 4
|
|
1 0.154355E+02 -0.842162E-01
|
|
2 0.766353E+01 -0.210760E+00
|
|
3 0.235676E+01 0.429632E+00
|
|
4 0.112133E+01 0.500000E+00
|
|
S 2
|
|
1 0.138403E+01 0.317514E+00
|
|
2 0.554923E+00 0.500000E+00
|
|
S 1
|
|
1 0.238581E+00 1.0000000
|
|
S 1
|
|
1 0.936178E-01 1.0000000
|
|
S 1
|
|
1 0.363681E-01 1.0000000
|
|
S 1
|
|
1 0.131100E-01 1.0000000
|
|
P 10
|
|
1 0.158822E+05 0.718540E-04
|
|
2 0.376365E+04 0.638040E-03
|
|
3 0.122308E+04 0.366670E-02
|
|
4 0.469238E+03 0.158347E-01
|
|
5 0.200993E+03 0.550647E-01
|
|
6 0.913532E+02 0.153706E+00
|
|
7 0.436266E+02 0.329949E+00
|
|
8 0.214174E+02 0.500000E+00
|
|
9 0.106998E+02 0.450902E+00
|
|
10 0.527477E+01 0.179485E+00
|
|
P 5
|
|
1 0.644168E+02 -0.901822E-02
|
|
2 0.242933E+02 -0.426942E-01
|
|
3 0.461891E+01 0.387532E+00
|
|
4 0.257267E+01 0.500000E+00
|
|
5 0.166639E+01 0.633405E+00
|
|
P 1
|
|
1 0.869621E+00 1.0000000
|
|
P 1
|
|
1 0.387996E+00 1.0000000
|
|
P 1
|
|
1 0.111000E+00 1.0000000
|
|
P 1
|
|
1 0.300370E-01 1.0000000
|
|
D 7
|
|
1 0.270856E+03 0.960526E-03
|
|
2 0.808521E+02 0.835462E-02
|
|
3 0.312706E+02 0.387892E-01
|
|
4 0.138028E+02 0.120974E+00
|
|
5 0.624518E+01 0.286829E+00
|
|
6 0.291422E+01 0.445944E+00
|
|
7 0.133917E+01 0.500000E+00
|
|
D 1
|
|
1 0.594986E+00 1.0000000
|
|
D 1
|
|
1 0.250151E+00 1.0000000
|
|
D 1
|
|
1 0.948478E-01 1.0000000
|
|
D 1
|
|
1 0.334280E-01 1.0000000
|
|
F 1
|
|
1 0.639500E+01 1.0000000
|
|
F 1
|
|
1 0.177600E+01 1.0000000
|
|
F 1
|
|
1 0.493000E+00 1.0000000
|
|
F 1
|
|
1 0.120150E+00 1.0000000
|
|
G 1
|
|
1 0.426300E+01 1.0000000
|
|
G 1
|
|
1 0.947000E+00 1.0000000
|
|
G 1
|
|
1 0.150180E+00 1.0000000
|
|
H 1
|
|
1 0.216000E+01 1.0000000
|
|
H 1
|
|
1 0.180220E+00 1.0000000
|
|
|
|
COBALT
|
|
S 12
|
|
1 0.526902E+07 0.107645E-04
|
|
2 0.789903E+06 0.835604E-04
|
|
3 0.179923E+06 0.438990E-03
|
|
4 0.509653E+05 0.185343E-02
|
|
5 0.166138E+05 0.673112E-02
|
|
6 0.599438E+04 0.216636E-01
|
|
7 0.233997E+04 0.620427E-01
|
|
8 0.968775E+03 0.157416E+00
|
|
9 0.419539E+03 0.329796E+00
|
|
10 0.189729E+03 0.500000E+00
|
|
11 0.882596E+02 0.442937E+00
|
|
12 0.409609E+02 0.139724E+00
|
|
S 7
|
|
1 0.168869E+04 -0.100449E-02
|
|
2 0.522640E+03 -0.101364E-01
|
|
3 0.202495E+03 -0.454561E-01
|
|
4 0.893258E+02 -0.956977E-01
|
|
5 0.204136E+02 0.351739E+00
|
|
6 0.101281E+02 0.500000E+00
|
|
7 0.500081E+01 0.194855E+00
|
|
S 4
|
|
1 0.168093E+02 -0.899728E-01
|
|
2 0.842849E+01 -0.221482E+00
|
|
3 0.261168E+01 0.438369E+00
|
|
4 0.125832E+01 0.500000E+00
|
|
S 2
|
|
1 0.152769E+01 0.326874E+00
|
|
2 0.631077E+00 0.500000E+00
|
|
S 1
|
|
1 0.236310E+00 1.0000000
|
|
S 1
|
|
1 0.960068E-01 1.0000000
|
|
S 1
|
|
1 0.376150E-01 1.0000000
|
|
S 1
|
|
1 0.136670E-01 1.0000000
|
|
P 10
|
|
1 0.170155E+05 0.731154E-04
|
|
2 0.403099E+04 0.649325E-03
|
|
3 0.131034E+04 0.372865E-02
|
|
4 0.502915E+03 0.160898E-01
|
|
5 0.215767E+03 0.556722E-01
|
|
6 0.983449E+02 0.154849E+00
|
|
7 0.470703E+02 0.331373E+00
|
|
8 0.231582E+02 0.500000E+00
|
|
9 0.115685E+02 0.446632E+00
|
|
10 0.569246E+01 0.172307E+00
|
|
P 5
|
|
1 0.690138E+02 -0.851491E-02
|
|
2 0.262420E+02 -0.387263E-01
|
|
3 0.520162E+01 0.324130E+00
|
|
4 0.289871E+01 0.500000E+00
|
|
5 0.171763E+01 0.620112E+00
|
|
P 1
|
|
1 0.892253E+00 1.0000000
|
|
P 1
|
|
1 0.406301E+00 1.0000000
|
|
P 1
|
|
1 0.123000E+00 1.0000000
|
|
P 1
|
|
1 0.351100E-01 1.0000000
|
|
D 7
|
|
1 0.305523E+03 0.924101E-03
|
|
2 0.914729E+02 0.805207E-02
|
|
3 0.355149E+02 0.377456E-01
|
|
4 0.156612E+02 0.120502E+00
|
|
5 0.709019E+01 0.285957E+00
|
|
6 0.331774E+01 0.445644E+00
|
|
7 0.152810E+01 0.500000E+00
|
|
D 1
|
|
1 0.678926E+00 1.0000000
|
|
D 1
|
|
1 0.285218E+00 1.0000000
|
|
D 1
|
|
1 0.108149E+00 1.0000000
|
|
D 1
|
|
1 0.381170E-01 1.0000000
|
|
F 1
|
|
1 0.703400E+01 1.0000000
|
|
F 1
|
|
1 0.195400E+01 1.0000000
|
|
F 1
|
|
1 0.543000E+00 1.0000000
|
|
F 1
|
|
1 0.140440E+00 1.0000000
|
|
G 1
|
|
1 0.468900E+01 1.0000000
|
|
G 1
|
|
1 0.104200E+01 1.0000000
|
|
G 1
|
|
1 0.175550E+00 1.0000000
|
|
H 1
|
|
1 0.237600E+01 1.0000000
|
|
H 1
|
|
1 0.210660E+00 1.0000000
|
|
|
|
NICKEL
|
|
S 12
|
|
1 0.573724E+07 0.106252E-04
|
|
2 0.860536E+06 0.823758E-04
|
|
3 0.196217E+06 0.432149E-03
|
|
4 0.556257E+05 0.182353E-02
|
|
5 0.181317E+05 0.662945E-02
|
|
6 0.653593E+04 0.213855E-01
|
|
7 0.254722E+04 0.614566E-01
|
|
8 0.105262E+04 0.156433E+00
|
|
9 0.455428E+03 0.328436E+00
|
|
10 0.205952E+03 0.500000E+00
|
|
11 0.958070E+02 0.446562E+00
|
|
12 0.444481E+02 0.142500E+00
|
|
S 7
|
|
1 0.180942E+04 -0.101963E-02
|
|
2 0.560759E+03 -0.102618E-01
|
|
3 0.217450E+03 -0.459385E-01
|
|
4 0.961339E+02 -0.960347E-01
|
|
5 0.221724E+02 0.350415E+00
|
|
6 0.110411E+02 0.500000E+00
|
|
7 0.547059E+01 0.195977E+00
|
|
S 4
|
|
1 0.181469E+02 -0.988233E-01
|
|
2 0.915353E+01 -0.234504E+00
|
|
3 0.291277E+01 0.442752E+00
|
|
4 0.142209E+01 0.500000E+00
|
|
S 2
|
|
1 0.166466E+01 0.343682E+00
|
|
2 0.710271E+00 0.500000E+00
|
|
S 1
|
|
1 0.232075E+00 1.0000000
|
|
S 1
|
|
1 0.966915E-01 1.0000000
|
|
S 1
|
|
1 0.383698E-01 1.0000000
|
|
S 1
|
|
1 0.141070E-01 1.0000000
|
|
P 10
|
|
1 0.182567E+05 0.733790E-04
|
|
2 0.432628E+04 0.651267E-03
|
|
3 0.140638E+04 0.374242E-02
|
|
4 0.539286E+03 0.162024E-01
|
|
5 0.231054E+03 0.561784E-01
|
|
6 0.105192E+03 0.156590E+00
|
|
7 0.502708E+02 0.334575E+00
|
|
8 0.247144E+02 0.500000E+00
|
|
9 0.123301E+02 0.436790E+00
|
|
10 0.605879E+01 0.160556E+00
|
|
P 5
|
|
1 0.744108E+02 -0.740793E-02
|
|
2 0.284170E+02 -0.330124E-01
|
|
3 0.571086E+01 0.281100E+00
|
|
4 0.303202E+01 0.500000E+00
|
|
5 0.168726E+01 0.522750E+00
|
|
P 1
|
|
1 0.890995E+00 1.0000000
|
|
P 1
|
|
1 0.418579E+00 1.0000000
|
|
P 1
|
|
1 0.135000E+00 1.0000000
|
|
P 1
|
|
1 0.409020E-01 1.0000000
|
|
D 7
|
|
1 0.334946E+03 0.934419E-03
|
|
2 0.100369E+03 0.817092E-02
|
|
3 0.389776E+02 0.386104E-01
|
|
4 0.171895E+02 0.123563E+00
|
|
5 0.780751E+01 0.290932E+00
|
|
6 0.366123E+01 0.449261E+00
|
|
7 0.168890E+01 0.500000E+00
|
|
D 1
|
|
1 0.750259E+00 1.0000000
|
|
D 1
|
|
1 0.314552E+00 1.0000000
|
|
D 1
|
|
1 0.118876E+00 1.0000000
|
|
D 1
|
|
1 0.417690E-01 1.0000000
|
|
F 1
|
|
1 0.773800E+01 1.0000000
|
|
F 1
|
|
1 0.214900E+01 1.0000000
|
|
F 1
|
|
1 0.597000E+00 1.0000000
|
|
F 1
|
|
1 0.163610E+00 1.0000000
|
|
G 1
|
|
1 0.515800E+01 1.0000000
|
|
G 1
|
|
1 0.114600E+01 1.0000000
|
|
G 1
|
|
1 0.204510E+00 1.0000000
|
|
H 1
|
|
1 0.261400E+01 1.0000000
|
|
H 1
|
|
1 0.245410E+00 1.0000000
|
|
|
|
COPPER
|
|
S 12
|
|
1 0.615713E+07 0.106292E-04
|
|
2 0.922927E+06 0.825237E-04
|
|
3 0.210182E+06 0.433571E-03
|
|
4 0.595950E+05 0.182581E-02
|
|
5 0.194689E+05 0.660955E-02
|
|
6 0.703867E+04 0.212365E-01
|
|
7 0.275088E+04 0.608627E-01
|
|
8 0.113885E+04 0.154992E+00
|
|
9 0.492951E+03 0.326555E+00
|
|
10 0.222764E+03 0.500000E+00
|
|
11 0.103530E+03 0.449216E+00
|
|
12 0.480046E+02 0.144279E+00
|
|
S 7
|
|
1 0.195559E+04 -0.101104E-02
|
|
2 0.606001E+03 -0.102017E-01
|
|
3 0.234732E+03 -0.460159E-01
|
|
4 0.103597E+03 -0.967177E-01
|
|
5 0.239357E+02 0.351808E+00
|
|
6 0.119345E+02 0.500000E+00
|
|
7 0.592558E+01 0.194108E+00
|
|
S 4
|
|
1 0.195339E+02 -0.105156E+00
|
|
2 0.990548E+01 -0.240761E+00
|
|
3 0.321504E+01 0.444219E+00
|
|
4 0.157811E+01 0.500000E+00
|
|
S 2
|
|
1 0.179565E+01 0.358859E+00
|
|
2 0.778361E+00 0.500000E+00
|
|
S 1
|
|
1 0.236333E+00 1.0000000
|
|
S 1
|
|
1 0.985755E-01 1.0000000
|
|
S 1
|
|
1 0.393585E-01 1.0000000
|
|
S 1
|
|
1 0.145530E-01 1.0000000
|
|
P 10
|
|
1 0.191078E+05 0.770861E-04
|
|
2 0.453544E+04 0.682312E-03
|
|
3 0.147545E+04 0.391646E-02
|
|
4 0.565628E+03 0.169648E-01
|
|
5 0.242428E+03 0.585016E-01
|
|
6 0.110561E+03 0.161915E+00
|
|
7 0.529756E+02 0.341375E+00
|
|
8 0.261718E+02 0.500000E+00
|
|
9 0.131270E+02 0.427021E+00
|
|
10 0.648393E+01 0.152352E+00
|
|
P 5
|
|
1 0.801279E+02 -0.741451E-02
|
|
2 0.306781E+02 -0.325142E-01
|
|
3 0.627605E+01 0.272064E+00
|
|
4 0.330780E+01 0.500000E+00
|
|
5 0.180037E+01 0.520968E+00
|
|
P 1
|
|
1 0.940547E+00 1.0000000
|
|
P 1
|
|
1 0.444417E+00 1.0000000
|
|
P 1
|
|
1 0.146000E+00 1.0000000
|
|
P 1
|
|
1 0.450070E-01 1.0000000
|
|
D 7
|
|
1 0.365512E+03 0.942422E-03
|
|
2 0.109596E+03 0.827109E-02
|
|
3 0.425638E+02 0.393621E-01
|
|
4 0.187735E+02 0.126154E+00
|
|
5 0.855339E+01 0.294924E+00
|
|
6 0.401759E+01 0.452074E+00
|
|
7 0.185388E+01 0.500000E+00
|
|
D 1
|
|
1 0.822245E+00 1.0000000
|
|
D 1
|
|
1 0.343304E+00 1.0000000
|
|
D 1
|
|
1 0.128828E+00 1.0000000
|
|
D 1
|
|
1 0.449690E-01 1.0000000
|
|
F 1
|
|
1 0.851100E+01 1.0000000
|
|
F 1
|
|
1 0.236400E+01 1.0000000
|
|
F 1
|
|
1 0.657000E+00 1.0000000
|
|
F 1
|
|
1 0.180030E+00 1.0000000
|
|
G 1
|
|
1 0.567400E+01 1.0000000
|
|
G 1
|
|
1 0.126100E+01 1.0000000
|
|
G 1
|
|
1 0.225030E+00 1.0000000
|
|
H 1
|
|
1 0.287500E+01 1.0000000
|
|
H 1
|
|
1 0.270040E+00 1.0000000
|
|
|
|
ZINC
|
|
S 12
|
|
1 0.673154E+07 0.103552E-04
|
|
2 0.100982E+07 0.803521E-04
|
|
3 0.230066E+06 0.422088E-03
|
|
4 0.652141E+05 0.177956E-02
|
|
5 0.212739E+05 0.646304E-02
|
|
6 0.767082E+04 0.208667E-01
|
|
7 0.298843E+04 0.601011E-01
|
|
8 0.123365E+04 0.153709E+00
|
|
9 0.532975E+03 0.324990E+00
|
|
10 0.240601E+03 0.500000E+00
|
|
11 0.111737E+03 0.452483E+00
|
|
12 0.517718E+02 0.146666E+00
|
|
S 7
|
|
1 0.209567E+04 -0.101586E-02
|
|
2 0.648831E+03 -0.102657E-01
|
|
3 0.251375E+03 -0.463039E-01
|
|
4 0.111068E+03 -0.970300E-01
|
|
5 0.258134E+02 0.351253E+00
|
|
6 0.128976E+02 0.500000E+00
|
|
7 0.641441E+01 0.193763E+00
|
|
S 4
|
|
1 0.209272E+02 -0.110877E+00
|
|
2 0.106507E+02 -0.242771E+00
|
|
3 0.352458E+01 0.445271E+00
|
|
4 0.172826E+01 0.500000E+00
|
|
S 2
|
|
1 0.192188E+01 0.375456E+00
|
|
2 0.840326E+00 0.500000E+00
|
|
S 1
|
|
1 0.243868E+00 1.0000000
|
|
S 1
|
|
1 0.101124E+00 1.0000000
|
|
S 1
|
|
1 0.403831E-01 1.0000000
|
|
S 1
|
|
1 0.149340E-01 1.0000000
|
|
P 10
|
|
1 0.199429E+05 0.806270E-04
|
|
2 0.472572E+04 0.715357E-03
|
|
3 0.153538E+04 0.411264E-02
|
|
4 0.587676E+03 0.178457E-01
|
|
5 0.251835E+03 0.611261E-01
|
|
6 0.115041E+03 0.167699E+00
|
|
7 0.552094E+02 0.349029E+00
|
|
8 0.273179E+02 0.500000E+00
|
|
9 0.137164E+02 0.411178E+00
|
|
10 0.678697E+01 0.137444E+00
|
|
P 5
|
|
1 0.865552E+02 -0.692561E-02
|
|
2 0.331584E+02 -0.302575E-01
|
|
3 0.680198E+01 0.259616E+00
|
|
4 0.347762E+01 0.500000E+00
|
|
5 0.181165E+01 0.489253E+00
|
|
P 1
|
|
1 0.932388E+00 1.0000000
|
|
P 1
|
|
1 0.447898E+00 1.0000000
|
|
P 1
|
|
1 0.158000E+00 1.0000000
|
|
P 1
|
|
1 0.520630E-01 1.0000000
|
|
D 7
|
|
1 0.397493E+03 0.949830E-03
|
|
2 0.119207E+03 0.837130E-02
|
|
3 0.462785E+02 0.401425E-01
|
|
4 0.204095E+02 0.128739E+00
|
|
5 0.932368E+01 0.299231E+00
|
|
6 0.438495E+01 0.455320E+00
|
|
7 0.202512E+01 0.500000E+00
|
|
D 1
|
|
1 0.898577E+00 1.0000000
|
|
D 1
|
|
1 0.375013E+00 1.0000000
|
|
D 1
|
|
1 0.140611E+00 1.0000000
|
|
D 1
|
|
1 0.490440E-01 1.0000000
|
|
F 1
|
|
1 0.936300E+01 1.0000000
|
|
F 1
|
|
1 0.260100E+01 1.0000000
|
|
F 1
|
|
1 0.722000E+00 1.0000000
|
|
F 1
|
|
1 0.208250E+00 1.0000000
|
|
G 1
|
|
1 0.624200E+01 1.0000000
|
|
G 1
|
|
1 0.138700E+01 1.0000000
|
|
G 1
|
|
1 0.260310E+00 1.0000000
|
|
H 1
|
|
1 0.316200E+01 1.0000000
|
|
H 1
|
|
1 0.312380E+00 1.0000000
|
|
|
|
GALLIUM
|
|
S 12
|
|
1 0.722277E+07 0.103191E-04
|
|
2 0.108284E+07 0.801101E-04
|
|
3 0.246697E+06 0.420531E-03
|
|
4 0.699637E+05 0.177139E-02
|
|
5 0.228477E+05 0.641971E-02
|
|
6 0.825251E+04 0.206813E-01
|
|
7 0.321823E+04 0.596039E-01
|
|
8 0.132822E+04 0.152764E+00
|
|
9 0.573616E+03 0.323735E+00
|
|
10 0.258890E+03 0.500000E+00
|
|
11 0.120218E+03 0.455269E+00
|
|
12 0.557046E+02 0.149024E+00
|
|
S 7
|
|
1 0.222498E+04 -0.103511E-02
|
|
2 0.689730E+03 -0.104317E-01
|
|
3 0.267421E+03 -0.469204E-01
|
|
4 0.118440E+03 -0.973626E-01
|
|
5 0.278652E+02 0.347518E+00
|
|
6 0.140072E+02 0.500000E+00
|
|
7 0.700619E+01 0.198934E+00
|
|
S 4
|
|
1 0.225453E+02 -0.115135E+00
|
|
2 0.115772E+02 -0.250424E+00
|
|
3 0.379660E+01 0.457608E+00
|
|
4 0.188925E+01 0.500000E+00
|
|
S 2
|
|
1 0.211757E+01 0.375880E+00
|
|
2 0.948309E+00 0.500000E+00
|
|
S 1
|
|
1 0.308220E+00 1.0000000
|
|
S 1
|
|
1 0.135177E+00 1.0000000
|
|
S 1
|
|
1 0.556939E-01 1.0000000
|
|
S 1
|
|
1 0.211990E-01 1.0000000
|
|
P 10
|
|
1 0.201250E+05 0.879443E-04
|
|
2 0.478578E+04 0.775295E-03
|
|
3 0.155795E+04 0.444067E-02
|
|
4 0.596159E+03 0.192728E-01
|
|
5 0.255273E+03 0.654911E-01
|
|
6 0.116630E+03 0.177619E+00
|
|
7 0.559473E+02 0.362186E+00
|
|
8 0.276373E+02 0.500000E+00
|
|
9 0.138229E+02 0.382966E+00
|
|
10 0.679906E+01 0.111602E+00
|
|
P 5
|
|
1 0.944808E+02 -0.597155E-02
|
|
2 0.360961E+02 -0.266896E-01
|
|
3 0.723120E+01 0.248301E+00
|
|
4 0.350256E+01 0.500000E+00
|
|
5 0.166556E+01 0.504810E+00
|
|
P 2
|
|
1 0.159015E+01 -0.179163E+00
|
|
2 0.773070E+00 0.500000E+00
|
|
P 1
|
|
1 0.258033E+00 1.0000000
|
|
P 1
|
|
1 0.933153E-01 1.0000000
|
|
P 1
|
|
1 0.322439E-01 1.0000000
|
|
P 1
|
|
1 0.104210E-01 1.0000000
|
|
D 8
|
|
1 0.503175E+03 0.689049E-03
|
|
2 0.152082E+03 0.611447E-02
|
|
3 0.594059E+02 0.306716E-01
|
|
4 0.259333E+02 0.108393E+00
|
|
5 0.117866E+02 0.265160E+00
|
|
6 0.559034E+01 0.433339E+00
|
|
7 0.262119E+01 0.500000E+00
|
|
8 0.119118E+01 0.432112E+00
|
|
D 1
|
|
1 0.514567E+00 1.0000000
|
|
D 1
|
|
1 0.203182E+00 1.0000000
|
|
D 1
|
|
1 0.810000E-01 1.0000000
|
|
D 1
|
|
1 0.299070E-01 1.0000000
|
|
F 1
|
|
1 0.116000E+01 1.0000000
|
|
F 1
|
|
1 0.290000E+00 1.0000000
|
|
F 1
|
|
1 0.416850E-01 1.0000000
|
|
G 1
|
|
1 0.440000E+00 1.0000000
|
|
G 1
|
|
1 0.521060E-01 1.0000000
|
|
|
|
GERMANIUM
|
|
S 12
|
|
1 0.759354E+07 0.105136E-04
|
|
2 0.113981E+07 0.814871E-04
|
|
3 0.259786E+06 0.427807E-03
|
|
4 0.736684E+05 0.180226E-02
|
|
5 0.240583E+05 0.653012E-02
|
|
6 0.869060E+04 0.210259E-01
|
|
7 0.339151E+04 0.604455E-01
|
|
8 0.140223E+04 0.154268E+00
|
|
9 0.607184E+03 0.325249E+00
|
|
10 0.274875E+03 0.500000E+00
|
|
11 0.128018E+03 0.454278E+00
|
|
12 0.594688E+02 0.148859E+00
|
|
S 7
|
|
1 0.235034E+04 -0.105631E-02
|
|
2 0.729839E+03 -0.105786E-01
|
|
3 0.283681E+03 -0.472228E-01
|
|
4 0.126117E+03 -0.970558E-01
|
|
5 0.298946E+02 0.346353E+00
|
|
6 0.150252E+02 0.500000E+00
|
|
7 0.751345E+01 0.196353E+00
|
|
S 4
|
|
1 0.241603E+02 -0.116153E+00
|
|
2 0.125012E+02 -0.248005E+00
|
|
3 0.406707E+01 0.459715E+00
|
|
4 0.203005E+01 0.500000E+00
|
|
S 2
|
|
1 0.233130E+01 0.379662E+00
|
|
2 0.104977E+01 0.500000E+00
|
|
S 1
|
|
1 0.389228E+00 1.0000000
|
|
S 1
|
|
1 0.174626E+00 1.0000000
|
|
S 1
|
|
1 0.722863E-01 1.0000000
|
|
S 1
|
|
1 0.276350E-01 1.0000000
|
|
P 10
|
|
1 0.218714E+05 0.855527E-04
|
|
2 0.520561E+04 0.753301E-03
|
|
3 0.169546E+04 0.431451E-02
|
|
4 0.649409E+03 0.187225E-01
|
|
5 0.278198E+03 0.639163E-01
|
|
6 0.127098E+03 0.174460E+00
|
|
7 0.609315E+02 0.359278E+00
|
|
8 0.300977E+02 0.500000E+00
|
|
9 0.150752E+02 0.387062E+00
|
|
10 0.743523E+01 0.115081E+00
|
|
P 5
|
|
1 0.101263E+03 -0.605465E-02
|
|
2 0.387370E+02 -0.269023E-01
|
|
3 0.785222E+01 0.246406E+00
|
|
4 0.380866E+01 0.500000E+00
|
|
5 0.185284E+01 0.489107E+00
|
|
P 2
|
|
1 0.203076E+01 -0.161381E+00
|
|
2 0.861619E+00 0.500000E+00
|
|
P 1
|
|
1 0.320820E+00 1.0000000
|
|
P 1
|
|
1 0.123087E+00 1.0000000
|
|
P 1
|
|
1 0.445203E-01 1.0000000
|
|
P 1
|
|
1 0.150170E-01 1.0000000
|
|
D 8
|
|
1 0.589581E+03 0.589195E-03
|
|
2 0.178701E+03 0.527235E-02
|
|
3 0.697794E+02 0.272735E-01
|
|
4 0.303259E+02 0.100157E+00
|
|
5 0.138378E+02 0.249382E+00
|
|
6 0.662072E+01 0.422146E+00
|
|
7 0.314467E+01 0.500000E+00
|
|
8 0.145774E+01 0.431954E+00
|
|
D 1
|
|
1 0.646573E+00 1.0000000
|
|
D 1
|
|
1 0.264297E+00 1.0000000
|
|
D 1
|
|
1 0.104000E+00 1.0000000
|
|
D 1
|
|
1 0.379380E-01 1.0000000
|
|
F 1
|
|
1 0.128000E+01 1.0000000
|
|
F 1
|
|
1 0.320000E+00 1.0000000
|
|
F 1
|
|
1 0.600660E-01 1.0000000
|
|
G 1
|
|
1 0.480000E+00 1.0000000
|
|
G 1
|
|
1 0.750830E-01 1.0000000
|
|
|
|
ARSENIC
|
|
S 12
|
|
1 0.805593E+07 0.105460E-04
|
|
2 0.120684E+07 0.819307E-04
|
|
3 0.274718E+06 0.430693E-03
|
|
4 0.778688E+05 0.181431E-02
|
|
5 0.254328E+05 0.657111E-02
|
|
6 0.918878E+04 0.211483E-01
|
|
7 0.358821E+04 0.606807E-01
|
|
8 0.148542E+04 0.154575E+00
|
|
9 0.643640E+03 0.325818E+00
|
|
10 0.291411E+03 0.500000E+00
|
|
11 0.135832E+03 0.452061E+00
|
|
12 0.632162E+02 0.147361E+00
|
|
S 7
|
|
1 0.254051E+04 -0.102662E-02
|
|
2 0.787829E+03 -0.103666E-01
|
|
3 0.305260E+03 -0.470024E-01
|
|
4 0.135021E+03 -0.980746E-01
|
|
5 0.319048E+02 0.348402E+00
|
|
6 0.160535E+02 0.500000E+00
|
|
7 0.803590E+01 0.194832E+00
|
|
S 4
|
|
1 0.259365E+02 -0.989264E-01
|
|
2 0.135837E+02 -0.210907E+00
|
|
3 0.421876E+01 0.434955E+00
|
|
4 0.207546E+01 0.500000E+00
|
|
S 2
|
|
1 0.255595E+01 0.335478E+00
|
|
2 0.108840E+01 0.500000E+00
|
|
S 1
|
|
1 0.528697E+00 1.0000000
|
|
S 1
|
|
1 0.225851E+00 1.0000000
|
|
S 1
|
|
1 0.915011E-01 1.0000000
|
|
S 1
|
|
1 0.342920E-01 1.0000000
|
|
P 10
|
|
1 0.238314E+05 0.828760E-04
|
|
2 0.565967E+04 0.732818E-03
|
|
3 0.184073E+04 0.421025E-02
|
|
4 0.704211E+03 0.183430E-01
|
|
5 0.301338E+03 0.629174E-01
|
|
6 0.137682E+03 0.172302E+00
|
|
7 0.660416E+02 0.357082E+00
|
|
8 0.326690E+02 0.500000E+00
|
|
9 0.164085E+02 0.391655E+00
|
|
10 0.812140E+01 0.119358E+00
|
|
P 5
|
|
1 0.108840E+03 -0.591378E-02
|
|
2 0.416086E+02 -0.263897E-01
|
|
3 0.846315E+01 0.241693E+00
|
|
4 0.407807E+01 0.500000E+00
|
|
5 0.201217E+01 0.450045E+00
|
|
P 2
|
|
1 0.264565E+01 -0.154306E+00
|
|
2 0.941543E+00 0.500000E+00
|
|
P 1
|
|
1 0.389328E+00 1.0000000
|
|
P 1
|
|
1 0.154784E+00 1.0000000
|
|
P 1
|
|
1 0.574573E-01 1.0000000
|
|
P 1
|
|
1 0.198550E-01 1.0000000
|
|
D 8
|
|
1 0.721795E+03 0.464130E-03
|
|
2 0.219039E+03 0.423404E-02
|
|
3 0.851186E+02 0.229979E-01
|
|
4 0.367466E+02 0.884714E-01
|
|
5 0.169330E+02 0.224634E+00
|
|
6 0.822780E+01 0.402069E+00
|
|
7 0.399834E+01 0.500000E+00
|
|
8 0.191302E+01 0.451532E+00
|
|
D 1
|
|
1 0.880368E+00 1.0000000
|
|
D 1
|
|
1 0.374480E+00 1.0000000
|
|
D 1
|
|
1 0.110000E+00 1.0000000
|
|
D 1
|
|
1 0.305190E-01 1.0000000
|
|
F 1
|
|
1 0.141000E+01 1.0000000
|
|
F 1
|
|
1 0.350000E+00 1.0000000
|
|
F 1
|
|
1 0.794190E-01 1.0000000
|
|
G 1
|
|
1 0.530000E+00 1.0000000
|
|
G 1
|
|
1 0.992740E-01 1.0000000
|
|
|
|
SELENIUM
|
|
S 12
|
|
1 0.860600E+07 0.104913E-04
|
|
2 0.128973E+07 0.814731E-04
|
|
3 0.293773E+06 0.427840E-03
|
|
4 0.832790E+05 0.180380E-02
|
|
5 0.271773E+05 0.654115E-02
|
|
6 0.982099E+04 0.210139E-01
|
|
7 0.384052E+04 0.601930E-01
|
|
8 0.159112E+04 0.153551E+00
|
|
9 0.689469E+03 0.324487E+00
|
|
10 0.312206E+03 0.500000E+00
|
|
11 0.145568E+03 0.455811E+00
|
|
12 0.677520E+02 0.150877E+00
|
|
S 7
|
|
1 0.270149E+04 -0.102941E-02
|
|
2 0.837677E+03 -0.104024E-01
|
|
3 0.324465E+03 -0.472588E-01
|
|
4 0.143568E+03 -0.984905E-01
|
|
5 0.340486E+02 0.348911E+00
|
|
6 0.171712E+02 0.500000E+00
|
|
7 0.864286E+01 0.195115E+00
|
|
S 4
|
|
1 0.276146E+02 -0.119901E+00
|
|
2 0.144789E+02 -0.250363E+00
|
|
3 0.463221E+01 0.475777E+00
|
|
4 0.234088E+01 0.500000E+00
|
|
S 2
|
|
1 0.280428E+01 0.395662E+00
|
|
2 0.128023E+01 0.500000E+00
|
|
S 1
|
|
1 0.551124E+00 1.0000000
|
|
S 1
|
|
1 0.252132E+00 1.0000000
|
|
S 1
|
|
1 0.105146E+00 1.0000000
|
|
S 1
|
|
1 0.404730E-01 1.0000000
|
|
P 10
|
|
1 0.251629E+05 0.836626E-04
|
|
2 0.596904E+04 0.741563E-03
|
|
3 0.193999E+04 0.426261E-02
|
|
4 0.742220E+03 0.185655E-01
|
|
5 0.317632E+03 0.636212E-01
|
|
6 0.145195E+03 0.173817E+00
|
|
7 0.696821E+02 0.359253E+00
|
|
8 0.344406E+02 0.500000E+00
|
|
9 0.172750E+02 0.383496E+00
|
|
10 0.855729E+01 0.112059E+00
|
|
P 5
|
|
1 0.118418E+03 -0.546099E-02
|
|
2 0.450504E+02 -0.251810E-01
|
|
3 0.896661E+01 0.242125E+00
|
|
4 0.421912E+01 0.500000E+00
|
|
5 0.198355E+01 0.391702E+00
|
|
P 2
|
|
1 0.325130E+01 -0.795068E-01
|
|
2 0.870890E+00 0.500000E+00
|
|
P 1
|
|
1 0.403734E+00 1.0000000
|
|
P 1
|
|
1 0.164488E+00 1.0000000
|
|
P 1
|
|
1 0.622449E-01 1.0000000
|
|
P 1
|
|
1 0.218970E-01 1.0000000
|
|
D 8
|
|
1 0.761951E+03 0.475920E-03
|
|
2 0.231621E+03 0.432733E-02
|
|
3 0.901954E+02 0.233940E-01
|
|
4 0.390434E+02 0.896857E-01
|
|
5 0.179622E+02 0.229150E+00
|
|
6 0.868350E+01 0.407464E+00
|
|
7 0.418732E+01 0.500000E+00
|
|
8 0.198899E+01 0.426198E+00
|
|
D 1
|
|
1 0.910643E+00 1.0000000
|
|
D 1
|
|
1 0.385398E+00 1.0000000
|
|
D 1
|
|
1 0.152000E+00 1.0000000
|
|
D 1
|
|
1 0.555650E-01 1.0000000
|
|
F 1
|
|
1 0.155000E+01 1.0000000
|
|
F 1
|
|
1 0.390000E+00 1.0000000
|
|
F 1
|
|
1 0.875890E-01 1.0000000
|
|
G 1
|
|
1 0.580000E+00 1.0000000
|
|
G 1
|
|
1 0.109490E+00 1.0000000
|
|
|
|
BROMINE
|
|
S 12
|
|
1 0.918818E+07 0.104008E-04
|
|
2 0.137491E+07 0.809392E-04
|
|
3 0.312821E+06 0.425654E-03
|
|
4 0.886093E+05 0.179554E-02
|
|
5 0.289110E+05 0.651262E-02
|
|
6 0.104397E+05 0.209635E-01
|
|
7 0.407745E+04 0.601338E-01
|
|
8 0.168887E+04 0.153254E+00
|
|
9 0.732327E+03 0.323775E+00
|
|
10 0.331666E+03 0.500000E+00
|
|
11 0.154583E+03 0.456434E+00
|
|
12 0.719586E+02 0.150988E+00
|
|
S 7
|
|
1 0.286322E+04 -0.103429E-02
|
|
2 0.888596E+03 -0.104327E-01
|
|
3 0.344489E+03 -0.474142E-01
|
|
4 0.152462E+03 -0.989551E-01
|
|
5 0.362935E+02 0.348181E+00
|
|
6 0.183660E+02 0.500000E+00
|
|
7 0.928948E+01 0.196628E+00
|
|
S 4
|
|
1 0.290632E+02 -0.143106E+00
|
|
2 0.151202E+02 -0.280402E+00
|
|
3 0.517278E+01 0.482272E+00
|
|
4 0.264955E+01 0.500000E+00
|
|
S 2
|
|
1 0.305412E+01 0.449227E+00
|
|
2 0.143983E+01 0.500000E+00
|
|
S 1
|
|
1 0.581995E+00 1.0000000
|
|
S 1
|
|
1 0.269971E+00 1.0000000
|
|
S 1
|
|
1 0.115509E+00 1.0000000
|
|
S 1
|
|
1 0.455260E-01 1.0000000
|
|
P 10
|
|
1 0.268306E+05 0.824562E-04
|
|
2 0.637094E+04 0.729371E-03
|
|
3 0.207202E+04 0.419150E-02
|
|
4 0.792832E+03 0.182815E-01
|
|
5 0.339013E+03 0.629212E-01
|
|
6 0.154696E+03 0.172919E+00
|
|
7 0.740062E+02 0.359806E+00
|
|
8 0.364273E+02 0.500000E+00
|
|
9 0.182111E+02 0.376433E+00
|
|
10 0.902035E+01 0.105610E+00
|
|
P 5
|
|
1 0.126832E+03 -0.541286E-02
|
|
2 0.482160E+02 -0.251351E-01
|
|
3 0.960694E+01 0.242311E+00
|
|
4 0.451046E+01 0.500000E+00
|
|
5 0.210436E+01 0.376261E+00
|
|
P 2
|
|
1 0.385881E+01 -0.582590E-01
|
|
2 0.897535E+00 0.500000E+00
|
|
P 1
|
|
1 0.428395E+00 1.0000000
|
|
P 1
|
|
1 0.180059E+00 1.0000000
|
|
P 1
|
|
1 0.704069E-01 1.0000000
|
|
P 1
|
|
1 0.255340E-01 1.0000000
|
|
D 8
|
|
1 0.826525E+03 0.468845E-03
|
|
2 0.251182E+03 0.428388E-02
|
|
3 0.978146E+02 0.232652E-01
|
|
4 0.424260E+02 0.893287E-01
|
|
5 0.195905E+02 0.228711E+00
|
|
6 0.951052E+01 0.407252E+00
|
|
7 0.461436E+01 0.500000E+00
|
|
8 0.221047E+01 0.417272E+00
|
|
D 1
|
|
1 0.102016E+01 1.0000000
|
|
D 1
|
|
1 0.430163E+00 1.0000000
|
|
D 1
|
|
1 0.167000E+00 1.0000000
|
|
D 1
|
|
1 0.601620E-01 1.0000000
|
|
F 1
|
|
1 0.170000E+01 1.0000000
|
|
F 1
|
|
1 0.430000E+00 1.0000000
|
|
F 1
|
|
1 0.102140E+00 1.0000000
|
|
G 1
|
|
1 0.640000E+00 1.0000000
|
|
G 1
|
|
1 0.127670E+00 1.0000000
|
|
|
|
KRYPTON
|
|
S 12
|
|
1 0.974336E+07 0.103716E-04
|
|
2 0.146000E+07 0.805813E-04
|
|
3 0.332501E+06 0.423172E-03
|
|
4 0.942637E+05 0.178347E-02
|
|
5 0.307831E+05 0.646032E-02
|
|
6 0.111227E+05 0.207964E-01
|
|
7 0.434250E+04 0.597798E-01
|
|
8 0.179625E+04 0.152802E+00
|
|
9 0.777844E+03 0.323477E+00
|
|
10 0.352081E+03 0.500000E+00
|
|
11 0.164153E+03 0.457267E+00
|
|
12 0.764657E+02 0.152073E+00
|
|
S 7
|
|
1 0.304273E+04 -0.103269E-02
|
|
2 0.943017E+03 -0.104616E-01
|
|
3 0.365092E+03 -0.477356E-01
|
|
4 0.161498E+03 -0.995753E-01
|
|
5 0.386687E+02 0.346385E+00
|
|
6 0.196718E+02 0.500000E+00
|
|
7 0.100159E+02 0.200907E+00
|
|
S 4
|
|
1 0.307602E+02 -0.162625E+00
|
|
2 0.159635E+02 -0.309807E+00
|
|
3 0.564568E+01 0.504110E+00
|
|
4 0.291997E+01 0.500000E+00
|
|
S 2
|
|
1 0.332009E+01 0.488162E+00
|
|
2 0.159659E+01 0.500000E+00
|
|
S 1
|
|
1 0.634150E+00 1.0000000
|
|
S 1
|
|
1 0.291744E+00 1.0000000
|
|
S 1
|
|
1 0.125748E+00 1.0000000
|
|
S 1
|
|
1 0.498980E-01 1.0000000
|
|
P 10
|
|
1 0.285806E+05 0.824524E-04
|
|
2 0.675666E+04 0.735338E-03
|
|
3 0.219094E+04 0.424356E-02
|
|
4 0.837363E+03 0.185207E-01
|
|
5 0.358354E+03 0.634997E-01
|
|
6 0.164032E+03 0.173463E+00
|
|
7 0.787666E+02 0.359951E+00
|
|
8 0.389152E+02 0.500000E+00
|
|
9 0.195260E+02 0.378390E+00
|
|
10 0.969946E+01 0.107400E+00
|
|
P 5
|
|
1 0.134948E+03 -0.546149E-02
|
|
2 0.513355E+02 -0.253288E-01
|
|
3 0.103147E+02 0.241404E+00
|
|
4 0.486035E+01 0.500000E+00
|
|
5 0.227496E+01 0.369230E+00
|
|
P 2
|
|
1 0.442613E+01 -0.507336E-01
|
|
2 0.965705E+00 0.500000E+00
|
|
P 1
|
|
1 0.461827E+00 1.0000000
|
|
P 1
|
|
1 0.198284E+00 1.0000000
|
|
P 1
|
|
1 0.796112E-01 1.0000000
|
|
P 1
|
|
1 0.295880E-01 1.0000000
|
|
D 8
|
|
1 0.100283E+04 0.375144E-03
|
|
2 0.306466E+03 0.346053E-02
|
|
3 0.119129E+03 0.195056E-01
|
|
4 0.517036E+02 0.769949E-01
|
|
5 0.243211E+02 0.200255E+00
|
|
6 0.120430E+02 0.380901E+00
|
|
7 0.600675E+01 0.500000E+00
|
|
8 0.298139E+01 0.460763E+00
|
|
D 1
|
|
1 0.143150E+01 1.0000000
|
|
D 1
|
|
1 0.639766E+00 1.0000000
|
|
D 1
|
|
1 0.257000E+00 1.0000000
|
|
D 1
|
|
1 0.955620E-01 1.0000000
|
|
F 1
|
|
1 0.187000E+01 1.0000000
|
|
F 1
|
|
1 0.470000E+00 1.0000000
|
|
F 1
|
|
1 0.118350E+00 1.0000000
|
|
G 1
|
|
1 0.700000E+00 1.0000000
|
|
G 1
|
|
1 0.147940E+00 1.0000000
|
|
|
|
|