mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-22 20:34:58 +01:00
2918 lines
95 KiB
Plaintext
2918 lines
95 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 2
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1 0.390000E+02 0.359880E-01
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2 0.650000E+01 0.500000E+00
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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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|
|
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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 2
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1 0.642000E+02 0.194830E-01
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2 0.107000E+02 0.500000E+00
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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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|
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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
|
|
1 0.978919E-01 1.0000000
|
|
S 1
|
|
1 0.430982E-01 1.0000000
|
|
S 1
|
|
1 0.182277E-01 1.0000000
|
|
S 1
|
|
1 0.710790E-02 1.0000000
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P 2
|
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1 0.591762E+02 0.293122E-01
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2 0.910401E+01 0.500000E+00
|
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P 1
|
|
1 0.199073E+01 1.0000000
|
|
P 1
|
|
1 0.547528E+00 1.0000000
|
|
P 1
|
|
1 0.186669E+00 1.0000000
|
|
P 1
|
|
1 0.644471E-01 1.0000000
|
|
P 1
|
|
1 0.220115E-01 1.0000000
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|
P 1
|
|
1 0.213240E-01 1.0000000
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D 1
|
|
1 0.480000E+00 1.0000000
|
|
D 1
|
|
1 0.150000E+00 1.0000000
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D 1
|
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1 0.284320E-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 0.355390E-01 1.0000000
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|
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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
|
|
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 2
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1 0.916683E+02 0.288407E-01
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2 0.141028E+02 0.500000E+00
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P 1
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|
1 0.312396E+01 1.0000000
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|
P 1
|
|
1 0.875722E+00 1.0000000
|
|
P 1
|
|
1 0.298791E+00 1.0000000
|
|
P 1
|
|
1 0.102936E+00 1.0000000
|
|
P 1
|
|
1 0.344927E-01 1.0000000
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|
P 1
|
|
1 0.410780E-01 1.0000000
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|
D 1
|
|
1 0.800000E+00 1.0000000
|
|
D 1
|
|
1 0.250000E+00 1.0000000
|
|
D 1
|
|
1 0.547710E-01 1.0000000
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|
F 1
|
|
1 0.550000E+00 1.0000000
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|
F 1
|
|
1 0.684630E-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 3
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|
1 0.587737E+03 0.296802E-02
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|
2 0.904211E+02 0.587795E-01
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|
3 0.212377E+02 0.500000E+00
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|
P 1
|
|
1 0.658132E+01 1.0000000
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|
P 1
|
|
1 0.257179E+01 1.0000000
|
|
P 1
|
|
1 0.105508E+01 1.0000000
|
|
P 1
|
|
1 0.453800E+00 1.0000000
|
|
P 1
|
|
1 0.195464E+00 1.0000000
|
|
P 1
|
|
1 0.834724E-01 1.0000000
|
|
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
|
|
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
|
|
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
|
|
P 3
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|
1 0.959030E+03 0.290247E-02
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|
2 0.147543E+03 0.577954E-01
|
|
3 0.347418E+02 0.500000E+00
|
|
P 1
|
|
1 0.108264E+02 1.0000000
|
|
P 1
|
|
1 0.415975E+01 1.0000000
|
|
P 1
|
|
1 0.170307E+01 1.0000000
|
|
P 1
|
|
1 0.731895E+00 1.0000000
|
|
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 0.941890E-01 1.0000000
|
|
|
|
NITROGEN
|
|
S 9
|
|
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
|
|
9 0.153446E+02 0.500000E+00
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|
S 3
|
|
1 0.230987E+02 0.110962E+00
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|
2 0.705507E+01 0.500000E+00
|
|
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 3
|
|
1 0.141606E+04 0.286616E-02
|
|
2 0.217855E+03 0.572307E-01
|
|
3 0.513777E+02 0.500000E+00
|
|
P 1
|
|
1 0.160677E+02 1.0000000
|
|
P 1
|
|
1 0.610124E+01 1.0000000
|
|
P 1
|
|
1 0.249806E+01 1.0000000
|
|
P 1
|
|
1 0.107148E+01 1.0000000
|
|
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 0.791800E-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
|
|
2 0.446128E+05 0.178787E-03
|
|
3 0.101544E+05 0.939588E-03
|
|
4 0.287635E+04 0.395840E-02
|
|
5 0.938366E+03 0.142931E-01
|
|
6 0.338860E+03 0.453776E-01
|
|
7 0.132417E+03 0.125417E+00
|
|
8 0.557372E+02 0.275002E+00
|
|
9 0.208655E+02 0.500000E+00
|
|
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 3
|
|
1 0.187489E+04 0.286393E-02
|
|
2 0.288445E+03 0.572410E-01
|
|
3 0.681261E+02 0.500000E+00
|
|
P 1
|
|
1 0.215679E+02 1.0000000
|
|
P 1
|
|
1 0.823414E+01 1.0000000
|
|
P 1
|
|
1 0.336796E+01 1.0000000
|
|
P 1
|
|
1 0.143385E+01 1.0000000
|
|
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 0.803310E-01 1.0000000
|
|
P 3
|
|
1 0.233042E+04 0.286090E-02
|
|
2 0.358526E+03 0.571724E-01
|
|
3 0.846998E+02 0.500000E+00
|
|
P 1
|
|
1 0.268415E+02 1.0000000
|
|
P 1
|
|
1 0.101837E+02 1.0000000
|
|
P 1
|
|
1 0.417654E+01 1.0000000
|
|
P 1
|
|
1 0.177542E+01 1.0000000
|
|
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 3
|
|
1 0.286539E+04 0.286029E-02
|
|
2 0.440830E+03 0.571238E-01
|
|
3 0.104220E+03 0.500000E+00
|
|
P 1
|
|
1 0.330574E+02 1.0000000
|
|
P 1
|
|
1 0.124669E+02 1.0000000
|
|
P 1
|
|
1 0.511395E+01 1.0000000
|
|
P 1
|
|
1 0.216841E+01 1.0000000
|
|
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 6
|
|
1 0.744673E+04 0.418162E-04
|
|
2 0.114565E+04 0.846285E-03
|
|
3 0.271957E+03 0.763265E-02
|
|
4 0.884085E+02 0.409011E-01
|
|
5 0.330239E+02 0.172037E+00
|
|
6 0.134670E+02 0.500000E+00
|
|
P 1
|
|
1 0.592527E+01 1.0000000
|
|
P 1
|
|
1 0.266564E+01 1.0000000
|
|
P 1
|
|
1 0.118952E+01 1.0000000
|
|
P 1
|
|
1 0.514436E+00 1.0000000
|
|
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 6
|
|
1 0.985133E+04 0.398260E-04
|
|
2 0.151559E+04 0.806925E-03
|
|
3 0.359697E+03 0.731656E-02
|
|
4 0.116778E+03 0.398442E-01
|
|
5 0.436050E+02 0.169656E+00
|
|
6 0.179485E+02 0.500000E+00
|
|
P 1
|
|
1 0.794618E+01 1.0000000
|
|
P 1
|
|
1 0.360728E+01 1.0000000
|
|
P 1
|
|
1 0.164510E+01 1.0000000
|
|
P 1
|
|
1 0.741391E+00 1.0000000
|
|
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 0.635624E+06 0.243184E-04
|
|
2 0.952145E+05 0.189007E-03
|
|
3 0.216738E+05 0.992840E-03
|
|
4 0.614015E+04 0.417817E-02
|
|
5 0.200300E+04 0.150538E-01
|
|
6 0.722828E+03 0.475525E-01
|
|
7 0.281884E+03 0.129947E+00
|
|
8 0.116314E+03 0.295451E+00
|
|
9 0.502329E+02 0.497857E+00
|
|
10 0.223667E+02 0.500000E+00
|
|
11 0.997301E+01 0.193765E+00
|
|
S 5
|
|
1 0.173942E+03 -0.559917E-02
|
|
2 0.545119E+02 -0.418522E-01
|
|
3 0.205252E+02 -0.115485E+00
|
|
4 0.406056E+01 0.364677E+00
|
|
5 0.172859E+01 0.500000E+00
|
|
S 2
|
|
1 0.227248E+01 0.250028E+00
|
|
2 0.824429E+00 0.500000E+00
|
|
S 1
|
|
1 0.291943E+00 1.0000000
|
|
S 1
|
|
1 0.126844E+00 1.0000000
|
|
S 1
|
|
1 0.510732E-01 1.0000000
|
|
S 1
|
|
1 0.190320E-01 1.0000000
|
|
P 6
|
|
1 0.131413E+05 0.380160E-04
|
|
2 0.202174E+04 0.771601E-03
|
|
3 0.479310E+03 0.704560E-02
|
|
4 0.155255E+03 0.390565E-01
|
|
5 0.580075E+02 0.167606E+00
|
|
6 0.241927E+02 0.500000E+00
|
|
P 1
|
|
1 0.108073E+02 1.0000000
|
|
P 1
|
|
1 0.497724E+01 1.0000000
|
|
P 1
|
|
1 0.231619E+01 1.0000000
|
|
P 1
|
|
1 0.107810E+01 1.0000000
|
|
P 1
|
|
1 0.490484E+00 1.0000000
|
|
P 1
|
|
1 0.205125E+00 1.0000000
|
|
P 1
|
|
1 0.793446E-01 1.0000000
|
|
P 1
|
|
1 0.289466E-01 1.0000000
|
|
P 1
|
|
1 0.984220E-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 0.295270E-01 1.0000000
|
|
F 1
|
|
1 0.960000E+00 1.0000000
|
|
F 1
|
|
1 0.320000E+00 1.0000000
|
|
F 1
|
|
1 0.393690E-01 1.0000000
|
|
G 1
|
|
1 0.580000E+00 1.0000000
|
|
G 1
|
|
1 0.492110E-01 1.0000000
|
|
|
|
SILICON
|
|
S 11
|
|
1 0.747498E+06 0.237923E-04
|
|
2 0.112033E+06 0.184787E-03
|
|
3 0.255130E+05 0.970315E-03
|
|
4 0.722898E+04 0.408310E-02
|
|
5 0.235907E+04 0.147030E-01
|
|
6 0.851775E+03 0.464545E-01
|
|
7 0.332258E+03 0.127250E+00
|
|
8 0.137061E+03 0.290733E+00
|
|
9 0.592327E+02 0.492329E+00
|
|
10 0.264206E+02 0.500000E+00
|
|
11 0.118100E+02 0.197865E+00
|
|
S 5
|
|
1 0.202088E+03 -0.544396E-02
|
|
2 0.633708E+02 -0.405983E-01
|
|
3 0.240072E+02 -0.111025E+00
|
|
4 0.481368E+01 0.343183E+00
|
|
5 0.210926E+01 0.500000E+00
|
|
S 2
|
|
1 0.287710E+01 0.217653E+00
|
|
2 0.103697E+01 0.500000E+00
|
|
S 1
|
|
1 0.455484E+00 1.0000000
|
|
S 1
|
|
1 0.187206E+00 1.0000000
|
|
S 1
|
|
1 0.733973E-01 1.0000000
|
|
S 1
|
|
1 0.266840E-01 1.0000000
|
|
P 6
|
|
1 0.150382E+05 0.379716E-04
|
|
2 0.231358E+04 0.770788E-03
|
|
3 0.548579E+03 0.703237E-02
|
|
4 0.178033E+03 0.387868E-01
|
|
5 0.667629E+02 0.166060E+00
|
|
6 0.277733E+02 0.500000E+00
|
|
P 1
|
|
1 0.124079E+02 1.0000000
|
|
P 1
|
|
1 0.570893E+01 1.0000000
|
|
P 1
|
|
1 0.264431E+01 1.0000000
|
|
P 1
|
|
1 0.120843E+01 1.0000000
|
|
P 1
|
|
1 0.516234E+00 1.0000000
|
|
P 1
|
|
1 0.231972E+00 1.0000000
|
|
P 1
|
|
1 0.981113E-01 1.0000000
|
|
P 1
|
|
1 0.383755E-01 1.0000000
|
|
P 1
|
|
1 0.139210E-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 0.417640E-01 1.0000000
|
|
F 1
|
|
1 0.115000E+01 1.0000000
|
|
F 1
|
|
1 0.380000E+00 1.0000000
|
|
F 1
|
|
1 0.556850E-01 1.0000000
|
|
G 1
|
|
1 0.650000E+00 1.0000000
|
|
G 1
|
|
1 0.696060E-01 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 11
|
|
1 0.866084E+06 0.234863E-04
|
|
2 0.129724E+06 0.182550E-03
|
|
3 0.295299E+05 0.958818E-03
|
|
4 0.836806E+04 0.403315E-02
|
|
5 0.273130E+04 0.145229E-01
|
|
6 0.986418E+03 0.458816E-01
|
|
7 0.384999E+03 0.125730E+00
|
|
8 0.158950E+03 0.287691E+00
|
|
9 0.688257E+02 0.488132E+00
|
|
10 0.307827E+02 0.500000E+00
|
|
11 0.137974E+02 0.201500E+00
|
|
S 5
|
|
1 0.233239E+03 -0.518782E-02
|
|
2 0.731494E+02 -0.387465E-01
|
|
3 0.278301E+02 -0.105629E+00
|
|
4 0.558310E+01 0.331375E+00
|
|
5 0.250585E+01 0.500000E+00
|
|
S 2
|
|
1 0.353206E+01 0.180143E+00
|
|
2 0.124707E+01 0.500000E+00
|
|
S 1
|
|
1 0.665884E+00 1.0000000
|
|
S 1
|
|
1 0.251973E+00 1.0000000
|
|
S 1
|
|
1 0.966409E-01 1.0000000
|
|
S 1
|
|
1 0.344250E-01 1.0000000
|
|
P 6
|
|
1 0.183416E+05 0.369307E-04
|
|
2 0.282179E+04 0.750121E-03
|
|
3 0.668877E+03 0.686309E-02
|
|
4 0.216902E+03 0.381426E-01
|
|
5 0.814129E+02 0.163988E+00
|
|
6 0.339977E+02 0.500000E+00
|
|
P 1
|
|
1 0.152309E+02 1.0000000
|
|
P 1
|
|
1 0.705993E+01 1.0000000
|
|
P 1
|
|
1 0.331474E+01 1.0000000
|
|
P 1
|
|
1 0.153501E+01 1.0000000
|
|
P 1
|
|
1 0.667849E+00 1.0000000
|
|
P 1
|
|
1 0.300404E+00 1.0000000
|
|
P 1
|
|
1 0.128611E+00 1.0000000
|
|
P 1
|
|
1 0.511801E-01 1.0000000
|
|
P 1
|
|
1 0.188650E-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 0.565960E-01 1.0000000
|
|
F 1
|
|
1 0.134000E+01 1.0000000
|
|
F 1
|
|
1 0.450000E+00 1.0000000
|
|
F 1
|
|
1 0.754620E-01 1.0000000
|
|
G 1
|
|
1 0.720000E+00 1.0000000
|
|
G 1
|
|
1 0.943270E-01 1.0000000
|
|
|
|
SULFUR
|
|
S 11
|
|
1 0.101043E+07 0.225755E-04
|
|
2 0.151382E+06 0.175427E-03
|
|
3 0.344618E+05 0.921453E-03
|
|
4 0.976551E+04 0.387659E-02
|
|
5 0.318691E+04 0.139721E-01
|
|
6 0.115020E+04 0.442476E-01
|
|
7 0.448472E+03 0.121797E+00
|
|
8 0.184940E+03 0.280391E+00
|
|
9 0.800986E+02 0.479528E+00
|
|
10 0.358567E+02 0.500000E+00
|
|
11 0.160833E+02 0.207538E+00
|
|
S 5
|
|
1 0.263521E+03 -0.577895E-02
|
|
2 0.826776E+02 -0.429129E-01
|
|
3 0.316585E+02 -0.114625E+00
|
|
4 0.658199E+01 0.333388E+00
|
|
5 0.303513E+01 0.500000E+00
|
|
S 2
|
|
1 0.422715E+01 0.201996E+00
|
|
2 0.156921E+01 0.500000E+00
|
|
S 1
|
|
1 0.756397E+00 1.0000000
|
|
S 1
|
|
1 0.304687E+00 1.0000000
|
|
S 1
|
|
1 0.118508E+00 1.0000000
|
|
S 1
|
|
1 0.427670E-01 1.0000000
|
|
P 6
|
|
1 0.219215E+05 0.361943E-04
|
|
2 0.337253E+04 0.735364E-03
|
|
3 0.799455E+03 0.673790E-02
|
|
4 0.259289E+03 0.376008E-01
|
|
5 0.974846E+02 0.162057E+00
|
|
6 0.408315E+02 0.500000E+00
|
|
P 1
|
|
1 0.183181E+02 1.0000000
|
|
P 1
|
|
1 0.851281E+01 1.0000000
|
|
P 1
|
|
1 0.401224E+01 1.0000000
|
|
P 1
|
|
1 0.186638E+01 1.0000000
|
|
P 1
|
|
1 0.814974E+00 1.0000000
|
|
P 1
|
|
1 0.359582E+00 1.0000000
|
|
P 1
|
|
1 0.150203E+00 1.0000000
|
|
P 1
|
|
1 0.592518E-01 1.0000000
|
|
P 1
|
|
1 0.216640E-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 0.649930E-01 1.0000000
|
|
F 1
|
|
1 0.153000E+01 1.0000000
|
|
F 1
|
|
1 0.510000E+00 1.0000000
|
|
F 1
|
|
1 0.866570E-01 1.0000000
|
|
G 1
|
|
1 0.790000E+00 1.0000000
|
|
G 1
|
|
1 0.108320E+00 1.0000000
|
|
|
|
CHLORINE
|
|
S 11
|
|
1 0.114796E+07 0.223930E-04
|
|
2 0.171987E+06 0.173982E-03
|
|
3 0.391531E+05 0.913957E-03
|
|
4 0.110935E+05 0.384596E-02
|
|
5 0.362017E+04 0.138612E-01
|
|
6 0.130679E+04 0.438988E-01
|
|
7 0.509620E+03 0.120928E+00
|
|
8 0.210254E+03 0.278600E+00
|
|
9 0.912315E+02 0.476588E+00
|
|
10 0.409599E+02 0.500000E+00
|
|
11 0.184349E+02 0.210828E+00
|
|
S 5
|
|
1 0.297511E+03 -0.629864E-02
|
|
2 0.932578E+02 -0.468479E-01
|
|
3 0.358225E+02 -0.123807E+00
|
|
4 0.766438E+01 0.334817E+00
|
|
5 0.363193E+01 0.500000E+00
|
|
S 2
|
|
1 0.499174E+01 0.212530E+00
|
|
2 0.192255E+01 0.500000E+00
|
|
S 1
|
|
1 0.872014E+00 1.0000000
|
|
S 1
|
|
1 0.360677E+00 1.0000000
|
|
S 1
|
|
1 0.141204E+00 1.0000000
|
|
S 1
|
|
1 0.512670E-01 1.0000000
|
|
P 6
|
|
1 0.260667E+05 0.353694E-04
|
|
2 0.401026E+04 0.719185E-03
|
|
3 0.950096E+03 0.660743E-02
|
|
4 0.307959E+03 0.370652E-01
|
|
5 0.115917E+03 0.160168E+00
|
|
6 0.486821E+02 0.500000E+00
|
|
P 1
|
|
1 0.218698E+02 1.0000000
|
|
P 1
|
|
1 0.101999E+02 1.0000000
|
|
P 1
|
|
1 0.483866E+01 1.0000000
|
|
P 1
|
|
1 0.226866E+01 1.0000000
|
|
P 1
|
|
1 0.100489E+01 1.0000000
|
|
P 1
|
|
1 0.443421E+00 1.0000000
|
|
P 1
|
|
1 0.184856E+00 1.0000000
|
|
P 1
|
|
1 0.732432E-01 1.0000000
|
|
P 1
|
|
1 0.268890E-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 0.806680E-01 1.0000000
|
|
F 1
|
|
1 0.172000E+01 1.0000000
|
|
F 1
|
|
1 0.570000E+00 1.0000000
|
|
F 1
|
|
1 0.107560E+00 1.0000000
|
|
G 1
|
|
1 0.860000E+00 1.0000000
|
|
G 1
|
|
1 0.134450E+00 1.0000000
|
|
|
|
ARGON
|
|
S 11
|
|
1 0.131101E+07 0.217557E-04
|
|
2 0.196373E+06 0.169095E-03
|
|
3 0.447039E+05 0.888222E-03
|
|
4 0.126648E+05 0.373961E-02
|
|
5 0.413121E+04 0.134900E-01
|
|
6 0.149083E+04 0.427599E-01
|
|
7 0.581354E+03 0.118031E+00
|
|
8 0.239863E+03 0.272890E+00
|
|
9 0.104176E+03 0.469657E+00
|
|
10 0.468276E+02 0.500000E+00
|
|
11 0.210958E+02 0.216299E+00
|
|
S 5
|
|
1 0.333754E+03 -0.668980E-02
|
|
2 0.104595E+03 -0.497892E-01
|
|
3 0.403003E+02 -0.130579E+00
|
|
4 0.879304E+01 0.335278E+00
|
|
5 0.427589E+01 0.500000E+00
|
|
S 2
|
|
1 0.583499E+01 0.211076E+00
|
|
2 0.230232E+01 0.500000E+00
|
|
S 1
|
|
1 0.103569E+01 1.0000000
|
|
S 1
|
|
1 0.428738E+00 1.0000000
|
|
S 1
|
|
1 0.167168E+00 1.0000000
|
|
S 1
|
|
1 0.604650E-01 1.0000000
|
|
P 6
|
|
1 0.303057E+05 0.347691E-04
|
|
2 0.466242E+04 0.707056E-03
|
|
3 0.110465E+04 0.650144E-02
|
|
4 0.358110E+03 0.365715E-01
|
|
5 0.134943E+03 0.158421E+00
|
|
6 0.567297E+02 0.500000E+00
|
|
P 1
|
|
1 0.254900E+02 1.0000000
|
|
P 1
|
|
1 0.119150E+02 1.0000000
|
|
P 1
|
|
1 0.569033E+01 1.0000000
|
|
P 1
|
|
1 0.269192E+01 1.0000000
|
|
P 1
|
|
1 0.121211E+01 1.0000000
|
|
P 1
|
|
1 0.535317E+00 1.0000000
|
|
P 1
|
|
1 0.223765E+00 1.0000000
|
|
P 1
|
|
1 0.890044E-01 1.0000000
|
|
P 1
|
|
1 0.327930E-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 0.983800E-01 1.0000000
|
|
F 1
|
|
1 0.191000E+01 1.0000000
|
|
F 1
|
|
1 0.630000E+00 1.0000000
|
|
F 1
|
|
1 0.131170E+00 1.0000000
|
|
G 1
|
|
1 0.930000E+00 1.0000000
|
|
G 1
|
|
1 0.163970E+00 1.0000000
|
|
|
|
POTASSIUM
|
|
S 12
|
|
1 0.251639E+07 0.111625E-04
|
|
2 0.377436E+06 0.865275E-04
|
|
3 0.860987E+05 0.453512E-03
|
|
4 0.244326E+05 0.190957E-02
|
|
5 0.797848E+04 0.691895E-02
|
|
6 0.288186E+04 0.222383E-01
|
|
7 0.112475E+04 0.636676E-01
|
|
8 0.465111E+03 0.160930E+00
|
|
9 0.201116E+03 0.333958E+00
|
|
10 0.907915E+02 0.500000E+00
|
|
11 0.419724E+02 0.436177E+00
|
|
12 0.192588E+02 0.132896E+00
|
|
S 7
|
|
1 0.818723E+03 -0.948668E-03
|
|
2 0.253117E+03 -0.948109E-02
|
|
3 0.985165E+02 -0.412242E-01
|
|
4 0.431768E+02 -0.893624E-01
|
|
5 0.932771E+01 0.331262E+00
|
|
6 0.449921E+01 0.500000E+00
|
|
7 0.212633E+01 0.212471E+00
|
|
S 4
|
|
1 0.712882E+01 -0.861173E-01
|
|
2 0.310140E+01 -0.219840E+00
|
|
3 0.106694E+01 0.389000E+00
|
|
4 0.487608E+00 0.500000E+00
|
|
S 2
|
|
1 0.548056E+00 0.377900E+00
|
|
2 0.220193E+00 0.500000E+00
|
|
S 1
|
|
1 0.496134E-01 1.0000000
|
|
S 1
|
|
1 0.221838E-01 1.0000000
|
|
S 1
|
|
1 0.101541E-01 1.0000000
|
|
S 1
|
|
1 0.425800E-02 1.0000000
|
|
P 6
|
|
1 0.369282E+05 0.340294E-04
|
|
2 0.568126E+04 0.692307E-03
|
|
3 0.134613E+04 0.637825E-02
|
|
4 0.436343E+03 0.360902E-01
|
|
5 0.164860E+03 0.156341E+00
|
|
6 0.697722E+02 0.500000E+00
|
|
P 1
|
|
1 0.314510E+02 1.0000000
|
|
P 1
|
|
1 0.147867E+02 1.0000000
|
|
P 1
|
|
1 0.711363E+01 1.0000000
|
|
P 1
|
|
1 0.339827E+01 1.0000000
|
|
P 1
|
|
1 0.156464E+01 1.0000000
|
|
P 1
|
|
1 0.720613E+00 1.0000000
|
|
P 1
|
|
1 0.318696E+00 1.0000000
|
|
P 1
|
|
1 0.133302E+00 1.0000000
|
|
P 1
|
|
1 0.380000E-01 1.0000000
|
|
P 1
|
|
1 0.102480E-01 1.0000000
|
|
D 2
|
|
1 0.184859E+02 0.936647E-01
|
|
2 0.508172E+01 0.500000E+00
|
|
D 1
|
|
1 0.162402E+01 1.0000000
|
|
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 0.409930E-01 1.0000000
|
|
|
|
CALCIUM
|
|
S 12
|
|
1 0.277736E+07 0.112434E-04
|
|
2 0.416760E+06 0.871582E-04
|
|
3 0.950218E+05 0.457222E-03
|
|
4 0.269523E+05 0.192576E-02
|
|
5 0.880303E+04 0.697116E-02
|
|
6 0.318196E+04 0.223779E-01
|
|
7 0.124311E+04 0.639528E-01
|
|
8 0.514833E+03 0.161304E+00
|
|
9 0.223000E+03 0.334350E+00
|
|
10 0.100851E+03 0.500000E+00
|
|
11 0.467567E+02 0.436359E+00
|
|
12 0.215359E+02 0.134230E+00
|
|
S 7
|
|
1 0.911018E+03 -0.964001E-03
|
|
2 0.281481E+03 -0.967922E-02
|
|
3 0.109242E+03 -0.424597E-01
|
|
4 0.479009E+02 -0.911441E-01
|
|
5 0.104937E+02 0.334276E+00
|
|
6 0.512926E+01 0.500000E+00
|
|
7 0.247203E+01 0.218748E+00
|
|
S 4
|
|
1 0.819230E+01 -0.943515E-01
|
|
2 0.363961E+01 -0.252418E+00
|
|
3 0.128120E+01 0.388710E+00
|
|
4 0.623094E+00 0.500000E+00
|
|
S 2
|
|
1 0.704400E+00 0.362748E+00
|
|
2 0.305718E+00 0.500000E+00
|
|
S 1
|
|
1 0.937547E-01 1.0000000
|
|
S 1
|
|
1 0.454259E-01 1.0000000
|
|
S 1
|
|
1 0.202036E-01 1.0000000
|
|
S 1
|
|
1 0.825170E-02 1.0000000
|
|
P 6
|
|
1 0.436675E+05 0.336595E-04
|
|
2 0.671807E+04 0.684332E-03
|
|
3 0.159327E+04 0.630095E-02
|
|
4 0.517004E+03 0.357156E-01
|
|
5 0.195954E+03 0.154485E+00
|
|
6 0.833028E+02 0.500000E+00
|
|
P 1
|
|
1 0.376276E+02 1.0000000
|
|
P 1
|
|
1 0.177677E+02 1.0000000
|
|
P 1
|
|
1 0.860094E+01 1.0000000
|
|
P 1
|
|
1 0.414515E+01 1.0000000
|
|
P 1
|
|
1 0.194360E+01 1.0000000
|
|
P 1
|
|
1 0.928038E+00 1.0000000
|
|
P 1
|
|
1 0.426600E+00 1.0000000
|
|
P 1
|
|
1 0.183951E+00 1.0000000
|
|
P 1
|
|
1 0.523000E-01 1.0000000
|
|
P 1
|
|
1 0.140700E-01 1.0000000
|
|
D 2
|
|
1 0.231261E+02 0.899756E-01
|
|
2 0.641028E+01 0.500000E+00
|
|
D 1
|
|
1 0.208332E+01 1.0000000
|
|
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 0.562790E-01 1.0000000
|
|
|
|
SCANDIUM
|
|
S 12
|
|
1 0.306158E+07 0.112614E-04
|
|
2 0.459488E+06 0.872706E-04
|
|
3 0.104793E+06 0.457631E-03
|
|
4 0.297312E+05 0.192695E-02
|
|
5 0.971252E+04 0.697391E-02
|
|
6 0.351123E+04 0.223858E-01
|
|
7 0.137186E+04 0.639722E-01
|
|
8 0.568344E+03 0.161295E+00
|
|
9 0.246351E+03 0.334303E+00
|
|
10 0.111508E+03 0.500000E+00
|
|
11 0.517741E+02 0.436633E+00
|
|
12 0.238989E+02 0.134745E+00
|
|
S 7
|
|
1 0.100386E+04 -0.981345E-03
|
|
2 0.310369E+03 -0.984764E-02
|
|
3 0.120483E+03 -0.432299E-01
|
|
4 0.529646E+02 -0.921014E-01
|
|
5 0.116979E+02 0.338776E+00
|
|
6 0.574631E+01 0.500000E+00
|
|
7 0.279264E+01 0.215851E+00
|
|
S 4
|
|
1 0.926398E+01 -0.944503E-01
|
|
2 0.420330E+01 -0.251993E+00
|
|
3 0.146980E+01 0.388418E+00
|
|
4 0.722500E+00 0.500000E+00
|
|
S 2
|
|
1 0.818736E+00 0.348158E+00
|
|
2 0.357061E+00 0.500000E+00
|
|
S 1
|
|
1 0.115378E+00 1.0000000
|
|
S 1
|
|
1 0.541203E-01 1.0000000
|
|
S 1
|
|
1 0.233114E-01 1.0000000
|
|
S 1
|
|
1 0.924460E-02 1.0000000
|
|
P 6
|
|
1 0.499144E+05 0.333075E-04
|
|
2 0.767914E+04 0.677009E-03
|
|
3 0.182146E+04 0.623724E-02
|
|
4 0.591166E+03 0.354071E-01
|
|
5 0.224417E+03 0.153169E+00
|
|
6 0.955419E+02 0.500000E+00
|
|
P 1
|
|
1 0.431869E+02 1.0000000
|
|
P 1
|
|
1 0.204312E+02 1.0000000
|
|
P 1
|
|
1 0.992711E+01 1.0000000
|
|
P 1
|
|
1 0.481220E+01 1.0000000
|
|
P 1
|
|
1 0.227868E+01 1.0000000
|
|
P 1
|
|
1 0.108999E+01 1.0000000
|
|
P 1
|
|
1 0.501029E+00 1.0000000
|
|
P 1
|
|
1 0.216423E+00 1.0000000
|
|
P 1
|
|
1 0.610000E-01 1.0000000
|
|
P 1
|
|
1 0.162760E-01 1.0000000
|
|
D 5
|
|
1 0.120346E+03 0.240029E-02
|
|
2 0.354802E+02 0.198921E-01
|
|
3 0.132220E+02 0.876392E-01
|
|
4 0.580227E+01 0.224051E+00
|
|
5 0.266907E+01 0.500000E+00
|
|
D 1
|
|
1 0.123665E+01 1.0000000
|
|
D 1
|
|
1 0.563114E+00 1.0000000
|
|
D 1
|
|
1 0.248046E+00 1.0000000
|
|
D 1
|
|
1 0.106200E+00 1.0000000
|
|
D 1
|
|
1 0.418560E-01 1.0000000
|
|
D 1
|
|
1 0.152910E-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 0.651030E-01 1.0000000
|
|
G 1
|
|
1 0.264700E+01 1.0000000
|
|
G 1
|
|
1 0.588000E+00 1.0000000
|
|
G 1
|
|
1 0.813790E-01 1.0000000
|
|
H 1
|
|
1 0.134100E+01 1.0000000
|
|
H 1
|
|
1 0.976540E-01 1.0000000
|
|
|
|
TITANIUM
|
|
S 12
|
|
1 0.337203E+07 0.112324E-04
|
|
2 0.505467E+06 0.872045E-04
|
|
3 0.115164E+06 0.457695E-03
|
|
4 0.326739E+05 0.192587E-02
|
|
5 0.106772E+05 0.696795E-02
|
|
6 0.386101E+04 0.223565E-01
|
|
7 0.150945E+04 0.638266E-01
|
|
8 0.625768E+03 0.160954E+00
|
|
9 0.271339E+03 0.333994E+00
|
|
10 0.122872E+03 0.500000E+00
|
|
11 0.571171E+02 0.437372E+00
|
|
12 0.264101E+02 0.135603E+00
|
|
S 7
|
|
1 0.110621E+04 -0.985534E-03
|
|
2 0.342177E+03 -0.990027E-02
|
|
3 0.132734E+03 -0.437080E-01
|
|
4 0.583692E+02 -0.929474E-01
|
|
5 0.129605E+02 0.343081E+00
|
|
6 0.637983E+01 0.500000E+00
|
|
7 0.311339E+01 0.210751E+00
|
|
S 4
|
|
1 0.104152E+02 -0.872239E-01
|
|
2 0.484056E+01 -0.231749E+00
|
|
3 0.161441E+01 0.393381E+00
|
|
4 0.785147E+00 0.500000E+00
|
|
S 2
|
|
1 0.934388E+00 0.327103E+00
|
|
2 0.393337E+00 0.500000E+00
|
|
S 1
|
|
1 0.146761E+00 1.0000000
|
|
S 1
|
|
1 0.650521E-01 1.0000000
|
|
S 1
|
|
1 0.269387E-01 1.0000000
|
|
S 1
|
|
1 0.103020E-01 1.0000000
|
|
P 6
|
|
1 0.567371E+05 0.328322E-04
|
|
2 0.872879E+04 0.667987E-03
|
|
3 0.206936E+04 0.616284E-02
|
|
4 0.671606E+03 0.350389E-01
|
|
5 0.255244E+03 0.151729E+00
|
|
6 0.108724E+03 0.500000E+00
|
|
P 1
|
|
1 0.491287E+02 1.0000000
|
|
P 1
|
|
1 0.232512E+02 1.0000000
|
|
P 1
|
|
1 0.113184E+02 1.0000000
|
|
P 1
|
|
1 0.550699E+01 1.0000000
|
|
P 1
|
|
1 0.262298E+01 1.0000000
|
|
P 1
|
|
1 0.125689E+01 1.0000000
|
|
P 1
|
|
1 0.579876E+00 1.0000000
|
|
P 1
|
|
1 0.251268E+00 1.0000000
|
|
P 1
|
|
1 0.710000E-01 1.0000000
|
|
P 1
|
|
1 0.189890E-01 1.0000000
|
|
D 5
|
|
1 0.155319E+03 0.207459E-02
|
|
2 0.459696E+02 0.175457E-01
|
|
3 0.175542E+02 0.765412E-01
|
|
4 0.784948E+01 0.212081E+00
|
|
5 0.357728E+01 0.500000E+00
|
|
D 1
|
|
1 0.167271E+01 1.0000000
|
|
D 1
|
|
1 0.771465E+00 1.0000000
|
|
D 1
|
|
1 0.345317E+00 1.0000000
|
|
D 1
|
|
1 0.148504E+00 1.0000000
|
|
D 1
|
|
1 0.588752E-01 1.0000000
|
|
D 1
|
|
1 0.216270E-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 0.759560E-01 1.0000000
|
|
G 1
|
|
1 0.291200E+01 1.0000000
|
|
G 1
|
|
1 0.647000E+00 1.0000000
|
|
G 1
|
|
1 0.949460E-01 1.0000000
|
|
H 1
|
|
1 0.147500E+01 1.0000000
|
|
H 1
|
|
1 0.113930E+00 1.0000000
|
|
|
|
VANADIUM
|
|
S 12
|
|
1 0.372479E+07 0.111024E-04
|
|
2 0.558719E+06 0.861115E-04
|
|
3 0.127340E+06 0.451968E-03
|
|
4 0.361085E+05 0.190443E-02
|
|
5 0.117872E+05 0.690297E-02
|
|
6 0.425609E+04 0.222041E-01
|
|
7 0.166139E+04 0.635233E-01
|
|
8 0.688092E+03 0.160397E+00
|
|
9 0.298338E+03 0.333172E+00
|
|
10 0.135154E+03 0.500000E+00
|
|
11 0.628621E+02 0.439410E+00
|
|
12 0.290857E+02 0.137071E+00
|
|
S 7
|
|
1 0.120677E+04 -0.100003E-02
|
|
2 0.373452E+03 -0.100345E-01
|
|
3 0.144970E+03 -0.442371E-01
|
|
4 0.639299E+02 -0.933364E-01
|
|
5 0.143046E+02 0.345840E+00
|
|
6 0.704841E+01 0.500000E+00
|
|
7 0.344789E+01 0.205628E+00
|
|
S 4
|
|
1 0.116351E+02 -0.829198E-01
|
|
2 0.553118E+01 -0.219784E+00
|
|
3 0.175906E+01 0.410086E+00
|
|
4 0.848691E+00 0.500000E+00
|
|
S 2
|
|
1 0.104159E+01 0.312007E+00
|
|
2 0.426498E+00 0.500000E+00
|
|
S 1
|
|
1 0.178410E+00 1.0000000
|
|
S 1
|
|
1 0.740725E-01 1.0000000
|
|
S 1
|
|
1 0.297731E-01 1.0000000
|
|
S 1
|
|
1 0.110770E-01 1.0000000
|
|
P 6
|
|
1 0.646321E+05 0.321296E-04
|
|
2 0.994340E+04 0.654203E-03
|
|
3 0.235625E+04 0.604546E-02
|
|
4 0.764256E+03 0.344894E-01
|
|
5 0.290459E+03 0.149877E+00
|
|
6 0.123621E+03 0.500000E+00
|
|
P 1
|
|
1 0.557678E+02 1.0000000
|
|
P 1
|
|
1 0.263701E+02 1.0000000
|
|
P 1
|
|
1 0.128390E+02 1.0000000
|
|
P 1
|
|
1 0.626005E+01 1.0000000
|
|
P 1
|
|
1 0.299316E+01 1.0000000
|
|
P 1
|
|
1 0.143355E+01 1.0000000
|
|
P 1
|
|
1 0.660122E+00 1.0000000
|
|
P 1
|
|
1 0.285359E+00 1.0000000
|
|
P 1
|
|
1 0.810000E-01 1.0000000
|
|
P 1
|
|
1 0.217570E-01 1.0000000
|
|
D 5
|
|
1 0.192797E+03 0.180915E-02
|
|
2 0.574300E+02 0.154120E-01
|
|
3 0.222656E+02 0.681180E-01
|
|
4 0.991847E+01 0.206466E+00
|
|
5 0.446382E+01 0.500000E+00
|
|
D 1
|
|
1 0.208610E+01 1.0000000
|
|
D 1
|
|
1 0.963627E+00 1.0000000
|
|
D 1
|
|
1 0.432269E+00 1.0000000
|
|
D 1
|
|
1 0.185267E+00 1.0000000
|
|
D 1
|
|
1 0.726840E-01 1.0000000
|
|
D 1
|
|
1 0.264410E-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 0.870280E-01 1.0000000
|
|
G 1
|
|
1 0.320300E+01 1.0000000
|
|
G 1
|
|
1 0.712000E+00 1.0000000
|
|
G 1
|
|
1 0.108780E+00 1.0000000
|
|
H 1
|
|
1 0.162300E+01 1.0000000
|
|
H 1
|
|
1 0.130540E+00 1.0000000
|
|
|
|
CHROMIUM
|
|
S 12
|
|
1 0.406511E+07 0.110807E-04
|
|
2 0.608405E+06 0.862058E-04
|
|
3 0.138506E+06 0.452706E-03
|
|
4 0.392889E+05 0.190470E-02
|
|
5 0.128403E+05 0.689070E-02
|
|
6 0.464285E+04 0.221236E-01
|
|
7 0.181475E+04 0.632119E-01
|
|
8 0.752351E+03 0.159639E+00
|
|
9 0.326253E+03 0.332412E+00
|
|
10 0.147722E+03 0.500000E+00
|
|
11 0.687335E+02 0.439532E+00
|
|
12 0.318542E+02 0.137540E+00
|
|
S 7
|
|
1 0.132517E+04 -0.993391E-03
|
|
2 0.409805E+03 -0.100126E-01
|
|
3 0.158771E+03 -0.445683E-01
|
|
4 0.698988E+02 -0.941952E-01
|
|
5 0.157369E+02 0.347094E+00
|
|
6 0.777642E+01 0.500000E+00
|
|
7 0.381615E+01 0.203507E+00
|
|
S 4
|
|
1 0.128516E+02 -0.812047E-01
|
|
2 0.621762E+01 -0.211123E+00
|
|
3 0.193497E+01 0.417334E+00
|
|
4 0.924767E+00 0.500000E+00
|
|
S 2
|
|
1 0.114728E+01 0.303860E+00
|
|
2 0.459859E+00 0.500000E+00
|
|
S 1
|
|
1 0.208230E+00 1.0000000
|
|
S 1
|
|
1 0.820419E-01 1.0000000
|
|
S 1
|
|
1 0.322786E-01 1.0000000
|
|
S 1
|
|
1 0.117730E-01 1.0000000
|
|
P 6
|
|
1 0.716797E+05 0.319728E-04
|
|
2 0.110277E+05 0.651196E-03
|
|
3 0.261419E+04 0.601435E-02
|
|
4 0.848332E+03 0.343185E-01
|
|
5 0.322727E+03 0.149179E+00
|
|
6 0.137436E+03 0.500000E+00
|
|
P 1
|
|
1 0.620313E+02 1.0000000
|
|
P 1
|
|
1 0.293470E+02 1.0000000
|
|
P 1
|
|
1 0.143127E+02 1.0000000
|
|
P 1
|
|
1 0.700348E+01 1.0000000
|
|
P 1
|
|
1 0.336540E+01 1.0000000
|
|
P 1
|
|
1 0.160996E+01 1.0000000
|
|
P 1
|
|
1 0.739990E+00 1.0000000
|
|
P 1
|
|
1 0.319280E+00 1.0000000
|
|
P 1
|
|
1 0.900000E-01 1.0000000
|
|
P 1
|
|
1 0.240160E-01 1.0000000
|
|
D 5
|
|
1 0.217726E+03 0.176985E-02
|
|
2 0.651827E+02 0.150828E-01
|
|
3 0.252995E+02 0.678732E-01
|
|
4 0.112435E+02 0.208079E+00
|
|
5 0.508085E+01 0.500000E+00
|
|
D 1
|
|
1 0.238003E+01 1.0000000
|
|
D 1
|
|
1 0.110067E+01 1.0000000
|
|
D 1
|
|
1 0.493712E+00 1.0000000
|
|
D 1
|
|
1 0.210550E+00 1.0000000
|
|
D 1
|
|
1 0.817993E-01 1.0000000
|
|
D 1
|
|
1 0.294880E-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 0.960630E-01 1.0000000
|
|
G 1
|
|
1 0.352300E+01 1.0000000
|
|
G 1
|
|
1 0.783000E+00 1.0000000
|
|
G 1
|
|
1 0.120080E+00 1.0000000
|
|
H 1
|
|
1 0.178500E+01 1.0000000
|
|
H 1
|
|
1 0.144090E+00 1.0000000
|
|
|
|
MANGANESE
|
|
S 12
|
|
1 0.444306E+07 0.109935E-04
|
|
2 0.665487E+06 0.854815E-04
|
|
3 0.151470E+06 0.449145E-03
|
|
4 0.429520E+05 0.189077E-02
|
|
5 0.140379E+05 0.683589E-02
|
|
6 0.507761E+04 0.219494E-01
|
|
7 0.198387E+04 0.628328E-01
|
|
8 0.821735E+03 0.159006E+00
|
|
9 0.356214E+03 0.331527E+00
|
|
10 0.161324E+03 0.500000E+00
|
|
11 0.750784E+02 0.441783E+00
|
|
12 0.347979E+02 0.138980E+00
|
|
S 7
|
|
1 0.144027E+04 -0.100066E-02
|
|
2 0.444969E+03 -0.101010E-01
|
|
3 0.172469E+03 -0.449198E-01
|
|
4 0.760856E+02 -0.945957E-01
|
|
5 0.172049E+02 0.350220E+00
|
|
6 0.850158E+01 0.500000E+00
|
|
7 0.418160E+01 0.198570E+00
|
|
S 4
|
|
1 0.141324E+02 -0.804870E-01
|
|
2 0.693844E+01 -0.206070E+00
|
|
3 0.213427E+01 0.416638E+00
|
|
4 0.102172E+01 0.500000E+00
|
|
S 2
|
|
1 0.127168E+01 0.280491E+00
|
|
2 0.507351E+00 0.500000E+00
|
|
S 1
|
|
1 0.250347E+00 1.0000000
|
|
S 1
|
|
1 0.934204E-01 1.0000000
|
|
S 1
|
|
1 0.357980E-01 1.0000000
|
|
S 1
|
|
1 0.127410E-01 1.0000000
|
|
P 6
|
|
1 0.796715E+05 0.315932E-04
|
|
2 0.122572E+05 0.643215E-03
|
|
3 0.290427E+04 0.595127E-02
|
|
4 0.942155E+03 0.339956E-01
|
|
5 0.358579E+03 0.148074E+00
|
|
6 0.152605E+03 0.500000E+00
|
|
P 1
|
|
1 0.688515E+02 1.0000000
|
|
P 1
|
|
1 0.325818E+02 1.0000000
|
|
P 1
|
|
1 0.159055E+02 1.0000000
|
|
P 1
|
|
1 0.780090E+01 1.0000000
|
|
P 1
|
|
1 0.375947E+01 1.0000000
|
|
P 1
|
|
1 0.179641E+01 1.0000000
|
|
P 1
|
|
1 0.823937E+00 1.0000000
|
|
P 1
|
|
1 0.354547E+00 1.0000000
|
|
P 1
|
|
1 0.100000E+00 1.0000000
|
|
P 1
|
|
1 0.266990E-01 1.0000000
|
|
D 5
|
|
1 0.250086E+03 0.169222E-02
|
|
2 0.751680E+02 0.144500E-01
|
|
3 0.293165E+02 0.658444E-01
|
|
4 0.130225E+02 0.206957E+00
|
|
5 0.589518E+01 0.500000E+00
|
|
D 1
|
|
1 0.277018E+01 1.0000000
|
|
D 1
|
|
1 0.128680E+01 1.0000000
|
|
D 1
|
|
1 0.580330E+00 1.0000000
|
|
D 1
|
|
1 0.248219E+00 1.0000000
|
|
D 1
|
|
1 0.965149E-01 1.0000000
|
|
D 1
|
|
1 0.348200E-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 0.106800E+00 1.0000000
|
|
G 1
|
|
1 0.387600E+01 1.0000000
|
|
G 1
|
|
1 0.861000E+00 1.0000000
|
|
G 1
|
|
1 0.133490E+00 1.0000000
|
|
H 1
|
|
1 0.196400E+01 1.0000000
|
|
H 1
|
|
1 0.160190E+00 1.0000000
|
|
|
|
IRON
|
|
S 12
|
|
1 0.484452E+07 0.108967E-04
|
|
2 0.726121E+06 0.845955E-04
|
|
3 0.165358E+06 0.444533E-03
|
|
4 0.468514E+05 0.187526E-02
|
|
5 0.152845E+05 0.680031E-02
|
|
6 0.552022E+04 0.218562E-01
|
|
7 0.215623E+04 0.625439E-01
|
|
8 0.893377E+03 0.158298E+00
|
|
9 0.387456E+03 0.330424E+00
|
|
10 0.175506E+03 0.500000E+00
|
|
11 0.816708E+02 0.443601E+00
|
|
12 0.378594E+02 0.140087E+00
|
|
S 7
|
|
1 0.156514E+04 -0.998030E-03
|
|
2 0.483845E+03 -0.100968E-01
|
|
3 0.187309E+03 -0.452146E-01
|
|
4 0.825784E+02 -0.952289E-01
|
|
5 0.187784E+02 0.350792E+00
|
|
6 0.930328E+01 0.500000E+00
|
|
7 0.458438E+01 0.197144E+00
|
|
S 4
|
|
1 0.154282E+02 -0.838022E-01
|
|
2 0.766006E+01 -0.209366E+00
|
|
3 0.236004E+01 0.424795E+00
|
|
4 0.112523E+01 0.500000E+00
|
|
S 2
|
|
1 0.139209E+01 0.308059E+00
|
|
2 0.556917E+00 0.500000E+00
|
|
S 1
|
|
1 0.241198E+00 1.0000000
|
|
S 1
|
|
1 0.940529E-01 1.0000000
|
|
S 1
|
|
1 0.364700E-01 1.0000000
|
|
S 1
|
|
1 0.131240E-01 1.0000000
|
|
P 6
|
|
1 0.871150E+05 0.314096E-04
|
|
2 0.134023E+05 0.639647E-03
|
|
3 0.317536E+04 0.591779E-02
|
|
4 0.102997E+04 0.338584E-01
|
|
5 0.391912E+03 0.147707E+00
|
|
6 0.166792E+03 0.500000E+00
|
|
P 1
|
|
1 0.752909E+02 1.0000000
|
|
P 1
|
|
1 0.356568E+02 1.0000000
|
|
P 1
|
|
1 0.174454E+02 1.0000000
|
|
P 1
|
|
1 0.858906E+01 1.0000000
|
|
P 1
|
|
1 0.416203E+01 1.0000000
|
|
P 1
|
|
1 0.198640E+01 1.0000000
|
|
P 1
|
|
1 0.912535E+00 1.0000000
|
|
P 1
|
|
1 0.393538E+00 1.0000000
|
|
P 1
|
|
1 0.111000E+00 1.0000000
|
|
P 1
|
|
1 0.296360E-01 1.0000000
|
|
D 5
|
|
1 0.281270E+03 0.159498E-02
|
|
2 0.841908E+02 0.138465E-01
|
|
3 0.327186E+02 0.644667E-01
|
|
4 0.144204E+02 0.207215E+00
|
|
5 0.649186E+01 0.500000E+00
|
|
D 1
|
|
1 0.302590E+01 1.0000000
|
|
D 1
|
|
1 0.138868E+01 1.0000000
|
|
D 1
|
|
1 0.614982E+00 1.0000000
|
|
D 1
|
|
1 0.257102E+00 1.0000000
|
|
D 1
|
|
1 0.969184E-01 1.0000000
|
|
D 1
|
|
1 0.339730E-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 0.118550E+00 1.0000000
|
|
G 1
|
|
1 0.426300E+01 1.0000000
|
|
G 1
|
|
1 0.947000E+00 1.0000000
|
|
G 1
|
|
1 0.148180E+00 1.0000000
|
|
H 1
|
|
1 0.216000E+01 1.0000000
|
|
H 1
|
|
1 0.177820E+00 1.0000000
|
|
|
|
COBALT
|
|
S 12
|
|
1 0.526841E+07 0.107970E-04
|
|
2 0.788232E+06 0.840101E-04
|
|
3 0.179409E+06 0.441436E-03
|
|
4 0.508473E+05 0.186044E-02
|
|
5 0.166030E+05 0.673656E-02
|
|
6 0.600221E+04 0.216321E-01
|
|
7 0.234591E+04 0.619273E-01
|
|
8 0.971646E+03 0.157163E+00
|
|
9 0.420986E+03 0.329243E+00
|
|
10 0.190505E+03 0.500000E+00
|
|
11 0.886307E+02 0.445235E+00
|
|
12 0.411007E+02 0.141477E+00
|
|
S 7
|
|
1 0.167621E+04 -0.102010E-02
|
|
2 0.519651E+03 -0.102366E-01
|
|
3 0.201689E+03 -0.456361E-01
|
|
4 0.891697E+02 -0.955232E-01
|
|
5 0.204323E+02 0.351056E+00
|
|
6 0.101450E+02 0.500000E+00
|
|
7 0.501238E+01 0.196018E+00
|
|
S 4
|
|
1 0.167549E+02 -0.905841E-01
|
|
2 0.838034E+01 -0.220244E+00
|
|
3 0.264082E+01 0.424809E+00
|
|
4 0.127616E+01 0.500000E+00
|
|
S 2
|
|
1 0.153794E+01 0.319209E+00
|
|
2 0.636761E+00 0.500000E+00
|
|
S 1
|
|
1 0.237023E+00 1.0000000
|
|
S 1
|
|
1 0.963110E-01 1.0000000
|
|
S 1
|
|
1 0.376936E-01 1.0000000
|
|
S 1
|
|
1 0.136810E-01 1.0000000
|
|
P 6
|
|
1 0.962601E+05 0.312903E-04
|
|
2 0.148092E+05 0.637606E-03
|
|
3 0.351031E+04 0.589379E-02
|
|
4 0.113973E+04 0.336856E-01
|
|
5 0.434432E+03 0.146813E+00
|
|
6 0.185062E+03 0.500000E+00
|
|
P 1
|
|
1 0.835269E+02 1.0000000
|
|
P 1
|
|
1 0.395411E+02 1.0000000
|
|
P 1
|
|
1 0.193375E+02 1.0000000
|
|
P 1
|
|
1 0.952376E+01 1.0000000
|
|
P 1
|
|
1 0.461985E+01 1.0000000
|
|
P 1
|
|
1 0.220085E+01 1.0000000
|
|
P 1
|
|
1 0.100970E+01 1.0000000
|
|
P 1
|
|
1 0.434924E+00 1.0000000
|
|
P 1
|
|
1 0.123000E+00 1.0000000
|
|
P 1
|
|
1 0.329230E-01 1.0000000
|
|
D 5
|
|
1 0.316949E+03 0.153740E-02
|
|
2 0.951068E+02 0.133865E-01
|
|
3 0.370427E+02 0.631752E-01
|
|
4 0.162847E+02 0.207556E+00
|
|
5 0.733912E+01 0.500000E+00
|
|
D 1
|
|
1 0.343048E+01 1.0000000
|
|
D 1
|
|
1 0.157790E+01 1.0000000
|
|
D 1
|
|
1 0.699175E+00 1.0000000
|
|
D 1
|
|
1 0.292424E+00 1.0000000
|
|
D 1
|
|
1 0.110301E+00 1.0000000
|
|
D 1
|
|
1 0.386870E-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 0.131690E+00 1.0000000
|
|
G 1
|
|
1 0.468900E+01 1.0000000
|
|
G 1
|
|
1 0.104200E+01 1.0000000
|
|
G 1
|
|
1 0.164620E+00 1.0000000
|
|
H 1
|
|
1 0.237600E+01 1.0000000
|
|
H 1
|
|
1 0.197540E+00 1.0000000
|
|
|
|
NICKEL
|
|
S 12
|
|
1 0.571512E+07 0.106858E-04
|
|
2 0.854940E+06 0.831957E-04
|
|
3 0.194458E+06 0.437626E-03
|
|
4 0.550922E+05 0.184444E-02
|
|
5 0.179899E+05 0.667836E-02
|
|
6 0.650281E+04 0.214547E-01
|
|
7 0.254163E+04 0.614247E-01
|
|
8 0.105276E+04 0.156102E+00
|
|
9 0.455933E+03 0.327997E+00
|
|
10 0.206176E+03 0.500000E+00
|
|
11 0.958779E+02 0.446995E+00
|
|
12 0.444652E+02 0.142704E+00
|
|
S 7
|
|
1 0.181890E+04 -0.101009E-02
|
|
2 0.563015E+03 -0.102037E-01
|
|
3 0.218096E+03 -0.458430E-01
|
|
4 0.962899E+02 -0.962599E-01
|
|
5 0.221410E+02 0.352001E+00
|
|
6 0.110205E+02 0.500000E+00
|
|
7 0.546357E+01 0.195273E+00
|
|
S 4
|
|
1 0.180924E+02 -0.990205E-01
|
|
2 0.909798E+01 -0.232353E+00
|
|
3 0.294914E+01 0.426386E+00
|
|
4 0.144262E+01 0.500000E+00
|
|
S 2
|
|
1 0.167392E+01 0.336858E+00
|
|
2 0.714672E+00 0.500000E+00
|
|
S 1
|
|
1 0.232396E+00 1.0000000
|
|
S 1
|
|
1 0.968591E-01 1.0000000
|
|
S 1
|
|
1 0.384211E-01 1.0000000
|
|
S 1
|
|
1 0.141200E-01 1.0000000
|
|
P 6
|
|
1 0.104829E+06 0.310169E-04
|
|
2 0.161276E+05 0.632111E-03
|
|
3 0.382145E+04 0.585011E-02
|
|
4 0.124040E+04 0.334586E-01
|
|
5 0.472834E+03 0.146109E+00
|
|
6 0.201242E+03 0.500000E+00
|
|
P 1
|
|
1 0.907992E+02 1.0000000
|
|
P 1
|
|
1 0.429994E+02 1.0000000
|
|
P 1
|
|
1 0.210586E+02 1.0000000
|
|
P 1
|
|
1 0.103995E+02 1.0000000
|
|
P 1
|
|
1 0.506201E+01 1.0000000
|
|
P 1
|
|
1 0.241014E+01 1.0000000
|
|
P 1
|
|
1 0.110557E+01 1.0000000
|
|
P 1
|
|
1 0.476149E+00 1.0000000
|
|
P 1
|
|
1 0.135000E+00 1.0000000
|
|
P 1
|
|
1 0.362220E-01 1.0000000
|
|
D 5
|
|
1 0.344132E+03 0.154699E-02
|
|
2 0.103272E+03 0.135305E-01
|
|
3 0.401822E+02 0.642780E-01
|
|
4 0.176830E+02 0.209917E+00
|
|
5 0.800602E+01 0.500000E+00
|
|
D 1
|
|
1 0.375113E+01 1.0000000
|
|
D 1
|
|
1 0.172844E+01 1.0000000
|
|
D 1
|
|
1 0.766312E+00 1.0000000
|
|
D 1
|
|
1 0.320299E+00 1.0000000
|
|
D 1
|
|
1 0.120579E+00 1.0000000
|
|
D 1
|
|
1 0.422140E-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 0.144890E+00 1.0000000
|
|
G 1
|
|
1 0.515800E+01 1.0000000
|
|
G 1
|
|
1 0.114600E+01 1.0000000
|
|
G 1
|
|
1 0.181110E+00 1.0000000
|
|
H 1
|
|
1 0.261400E+01 1.0000000
|
|
H 1
|
|
1 0.217330E+00 1.0000000
|
|
|
|
COPPER
|
|
S 12
|
|
1 0.618439E+07 0.105790E-04
|
|
2 0.924539E+06 0.824069E-04
|
|
3 0.210398E+06 0.433004E-03
|
|
4 0.596183E+05 0.182590E-02
|
|
5 0.194582E+05 0.661750E-02
|
|
6 0.703013E+04 0.212744E-01
|
|
7 0.274639E+04 0.609782E-01
|
|
8 0.113701E+04 0.155182E+00
|
|
9 0.492260E+03 0.326769E+00
|
|
10 0.222483E+03 0.500000E+00
|
|
11 0.103411E+03 0.448683E+00
|
|
12 0.479590E+02 0.143828E+00
|
|
S 7
|
|
1 0.195700E+04 -0.101043E-02
|
|
2 0.605984E+03 -0.102045E-01
|
|
3 0.234767E+03 -0.459852E-01
|
|
4 0.103638E+03 -0.967010E-01
|
|
5 0.239159E+02 0.352643E+00
|
|
6 0.119165E+02 0.500000E+00
|
|
7 0.591599E+01 0.193198E+00
|
|
S 4
|
|
1 0.195435E+02 -0.106141E+00
|
|
2 0.992009E+01 -0.243357E+00
|
|
3 0.320011E+01 0.455067E+00
|
|
4 0.156737E+01 0.500000E+00
|
|
S 2
|
|
1 0.178417E+01 0.369967E+00
|
|
2 0.774568E+00 0.500000E+00
|
|
S 1
|
|
1 0.234348E+00 1.0000000
|
|
S 1
|
|
1 0.977788E-01 1.0000000
|
|
S 1
|
|
1 0.391292E-01 1.0000000
|
|
S 1
|
|
1 0.144980E-01 1.0000000
|
|
P 6
|
|
1 0.113297E+06 0.308645E-04
|
|
2 0.174304E+05 0.628677E-03
|
|
3 0.412867E+04 0.582399E-02
|
|
4 0.133936E+04 0.333660E-01
|
|
5 0.510377E+03 0.145901E+00
|
|
6 0.217203E+03 0.500000E+00
|
|
P 1
|
|
1 0.980485E+02 1.0000000
|
|
P 1
|
|
1 0.464494E+02 1.0000000
|
|
P 1
|
|
1 0.227753E+02 1.0000000
|
|
P 1
|
|
1 0.112780E+02 1.0000000
|
|
P 1
|
|
1 0.550901E+01 1.0000000
|
|
P 1
|
|
1 0.262255E+01 1.0000000
|
|
P 1
|
|
1 0.120297E+01 1.0000000
|
|
P 1
|
|
1 0.517991E+00 1.0000000
|
|
P 1
|
|
1 0.146000E+00 1.0000000
|
|
P 1
|
|
1 0.389550E-01 1.0000000
|
|
D 5
|
|
1 0.366489E+03 0.159424E-02
|
|
2 0.109930E+03 0.139828E-01
|
|
3 0.427166E+02 0.665345E-01
|
|
4 0.188450E+02 0.213577E+00
|
|
5 0.858662E+01 0.500000E+00
|
|
D 1
|
|
1 0.403336E+01 1.0000000
|
|
D 1
|
|
1 0.186041E+01 1.0000000
|
|
D 1
|
|
1 0.824525E+00 1.0000000
|
|
D 1
|
|
1 0.343885E+00 1.0000000
|
|
D 1
|
|
1 0.128936E+00 1.0000000
|
|
D 1
|
|
1 0.449710E-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 0.155820E+00 1.0000000
|
|
G 1
|
|
1 0.567400E+01 1.0000000
|
|
G 1
|
|
1 0.126100E+01 1.0000000
|
|
G 1
|
|
1 0.194780E+00 1.0000000
|
|
H 1
|
|
1 0.287500E+01 1.0000000
|
|
H 1
|
|
1 0.233730E+00 1.0000000
|
|
|
|
ZINC
|
|
S 12
|
|
1 0.663231E+07 0.105713E-04
|
|
2 0.993802E+06 0.820895E-04
|
|
3 0.226309E+06 0.431392E-03
|
|
4 0.641411E+05 0.181827E-02
|
|
5 0.209406E+05 0.658851E-02
|
|
6 0.756432E+04 0.212018E-01
|
|
7 0.295343E+04 0.608430E-01
|
|
8 0.122210E+04 0.154962E+00
|
|
9 0.529252E+03 0.326269E+00
|
|
10 0.239434E+03 0.500000E+00
|
|
11 0.111397E+03 0.451085E+00
|
|
12 0.516858E+02 0.145961E+00
|
|
S 7
|
|
1 0.208736E+04 -0.102234E-02
|
|
2 0.647617E+03 -0.102833E-01
|
|
3 0.251158E+03 -0.463101E-01
|
|
4 0.111029E+03 -0.969567E-01
|
|
5 0.258137E+02 0.351226E+00
|
|
6 0.128949E+02 0.500000E+00
|
|
7 0.641184E+01 0.193520E+00
|
|
S 4
|
|
1 0.210149E+02 -0.110583E+00
|
|
2 0.107361E+02 -0.246125E+00
|
|
3 0.347410E+01 0.465919E+00
|
|
4 0.169907E+01 0.500000E+00
|
|
S 2
|
|
1 0.190783E+01 0.386451E+00
|
|
2 0.833414E+00 0.500000E+00
|
|
S 1
|
|
1 0.243344E+00 1.0000000
|
|
S 1
|
|
1 0.100831E+00 1.0000000
|
|
S 1
|
|
1 0.403004E-01 1.0000000
|
|
S 1
|
|
1 0.149150E-01 1.0000000
|
|
P 6
|
|
1 0.124111E+06 0.304974E-04
|
|
2 0.190940E+05 0.621552E-03
|
|
3 0.452226E+04 0.576020E-02
|
|
4 0.146712E+04 0.330335E-01
|
|
5 0.559070E+03 0.144816E+00
|
|
6 0.237681E+03 0.500000E+00
|
|
P 1
|
|
1 0.107164E+03 1.0000000
|
|
P 1
|
|
1 0.507226E+02 1.0000000
|
|
P 1
|
|
1 0.248512E+02 1.0000000
|
|
P 1
|
|
1 0.123054E+02 1.0000000
|
|
P 1
|
|
1 0.601042E+01 1.0000000
|
|
P 1
|
|
1 0.285837E+01 1.0000000
|
|
P 1
|
|
1 0.130915E+01 1.0000000
|
|
P 1
|
|
1 0.562617E+00 1.0000000
|
|
P 1
|
|
1 0.158000E+00 1.0000000
|
|
P 1
|
|
1 0.420120E-01 1.0000000
|
|
D 5
|
|
1 0.395498E+03 0.160126E-02
|
|
2 0.118629E+03 0.141017E-01
|
|
3 0.460689E+02 0.674532E-01
|
|
4 0.203381E+02 0.215480E+00
|
|
5 0.930015E+01 0.500000E+00
|
|
D 1
|
|
1 0.437570E+01 1.0000000
|
|
D 1
|
|
1 0.202135E+01 1.0000000
|
|
D 1
|
|
1 0.897137E+00 1.0000000
|
|
D 1
|
|
1 0.374488E+00 1.0000000
|
|
D 1
|
|
1 0.140461E+00 1.0000000
|
|
D 1
|
|
1 0.490070E-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 0.168050E+00 1.0000000
|
|
G 1
|
|
1 0.624200E+01 1.0000000
|
|
G 1
|
|
1 0.138700E+01 1.0000000
|
|
G 1
|
|
1 0.210060E+00 1.0000000
|
|
H 1
|
|
1 0.316200E+01 1.0000000
|
|
H 1
|
|
1 0.252070E+00 1.0000000
|
|
|
|
GALLIUM
|
|
S 12
|
|
1 0.714765E+07 0.104607E-04
|
|
2 0.107202E+07 0.811586E-04
|
|
3 0.244154E+06 0.426529E-03
|
|
4 0.691896E+05 0.179864E-02
|
|
5 0.225787E+05 0.652240E-02
|
|
6 0.815601E+04 0.209755E-01
|
|
7 0.318623E+04 0.601848E-01
|
|
8 0.131838E+04 0.153653E+00
|
|
9 0.570508E+03 0.324754E+00
|
|
10 0.257885E+03 0.500000E+00
|
|
11 0.119940E+03 0.453999E+00
|
|
12 0.556490E+02 0.148540E+00
|
|
S 7
|
|
1 0.222964E+04 -0.103133E-02
|
|
2 0.691304E+03 -0.103849E-01
|
|
3 0.268224E+03 -0.467061E-01
|
|
4 0.118757E+03 -0.975008E-01
|
|
5 0.277508E+02 0.351842E+00
|
|
6 0.139095E+02 0.500000E+00
|
|
7 0.695510E+01 0.195053E+00
|
|
S 4
|
|
1 0.226247E+02 -0.113680E+00
|
|
2 0.116316E+02 -0.251342E+00
|
|
3 0.378299E+01 0.460603E+00
|
|
4 0.188246E+01 0.500000E+00
|
|
S 2
|
|
1 0.211488E+01 0.377970E+00
|
|
2 0.945766E+00 0.500000E+00
|
|
S 1
|
|
1 0.307995E+00 1.0000000
|
|
S 1
|
|
1 0.134944E+00 1.0000000
|
|
S 1
|
|
1 0.556239E-01 1.0000000
|
|
S 1
|
|
1 0.211820E-01 1.0000000
|
|
P 6
|
|
1 0.149584E+06 0.298331E-04
|
|
2 0.230130E+05 0.608694E-03
|
|
3 0.544859E+04 0.565140E-02
|
|
4 0.176840E+04 0.324680E-01
|
|
5 0.676510E+03 0.142042E+00
|
|
6 0.288452E+03 0.500000E+00
|
|
P 1
|
|
1 0.130421E+03 1.0000000
|
|
P 1
|
|
1 0.621184E+02 1.0000000
|
|
P 1
|
|
1 0.305827E+02 1.0000000
|
|
P 1
|
|
1 0.152298E+02 1.0000000
|
|
P 1
|
|
1 0.756259E+01 1.0000000
|
|
P 1
|
|
1 0.372655E+01 1.0000000
|
|
P 1
|
|
1 0.177444E+01 1.0000000
|
|
P 1
|
|
1 0.807775E+00 1.0000000
|
|
P 1
|
|
1 0.268022E+00 1.0000000
|
|
P 1
|
|
1 0.961111E-01 1.0000000
|
|
P 1
|
|
1 0.329287E-01 1.0000000
|
|
P 1
|
|
1 0.105580E-01 1.0000000
|
|
D 7
|
|
1 0.504220E+03 0.685585E-03
|
|
2 0.152397E+03 0.608494E-02
|
|
3 0.595499E+02 0.304995E-01
|
|
4 0.260169E+02 0.107723E+00
|
|
5 0.118358E+02 0.263603E+00
|
|
6 0.561770E+01 0.432014E+00
|
|
7 0.263442E+01 0.500000E+00
|
|
D 1
|
|
1 0.119650E+01 1.0000000
|
|
D 1
|
|
1 0.516326E+00 1.0000000
|
|
D 1
|
|
1 0.203681E+00 1.0000000
|
|
D 1
|
|
1 0.810000E-01 1.0000000
|
|
D 1
|
|
1 0.298390E-01 1.0000000
|
|
F 1
|
|
1 0.116000E+01 1.0000000
|
|
F 1
|
|
1 0.290000E+00 1.0000000
|
|
F 1
|
|
1 0.422330E-01 1.0000000
|
|
G 1
|
|
1 0.440000E+00 1.0000000
|
|
G 1
|
|
1 0.527910E-01 1.0000000
|
|
|
|
GERMANIUM
|
|
S 12
|
|
1 0.760540E+07 0.104860E-04
|
|
2 0.113749E+07 0.816760E-04
|
|
3 0.258735E+06 0.429627E-03
|
|
4 0.732894E+05 0.181123E-02
|
|
5 0.239389E+05 0.655253E-02
|
|
6 0.865829E+04 0.210484E-01
|
|
7 0.338425E+04 0.603683E-01
|
|
8 0.140136E+04 0.153868E+00
|
|
9 0.607020E+03 0.324867E+00
|
|
10 0.274538E+03 0.500000E+00
|
|
11 0.127740E+03 0.453084E+00
|
|
12 0.593361E+02 0.147634E+00
|
|
S 7
|
|
1 0.238368E+04 -0.102702E-02
|
|
2 0.740189E+03 -0.103273E-01
|
|
3 0.287140E+03 -0.467169E-01
|
|
4 0.126944E+03 -0.979542E-01
|
|
5 0.297663E+02 0.350885E+00
|
|
6 0.149460E+02 0.500000E+00
|
|
7 0.748204E+01 0.194358E+00
|
|
S 4
|
|
1 0.241155E+02 -0.113417E+00
|
|
2 0.124652E+02 -0.240131E+00
|
|
3 0.407468E+01 0.445817E+00
|
|
4 0.202483E+01 0.500000E+00
|
|
S 2
|
|
1 0.233505E+01 0.372183E+00
|
|
2 0.104210E+01 0.500000E+00
|
|
S 1
|
|
1 0.394845E+00 1.0000000
|
|
S 1
|
|
1 0.175887E+00 1.0000000
|
|
S 1
|
|
1 0.725196E-01 1.0000000
|
|
S 1
|
|
1 0.276230E-01 1.0000000
|
|
P 6
|
|
1 0.162449E+06 0.297582E-04
|
|
2 0.249921E+05 0.605978E-03
|
|
3 0.592100E+04 0.562571E-02
|
|
4 0.192168E+04 0.323354E-01
|
|
5 0.735632E+03 0.141501E+00
|
|
6 0.313709E+03 0.500000E+00
|
|
P 1
|
|
1 0.141896E+03 1.0000000
|
|
P 1
|
|
1 0.676268E+02 1.0000000
|
|
P 1
|
|
1 0.333360E+02 1.0000000
|
|
P 1
|
|
1 0.166380E+02 1.0000000
|
|
P 1
|
|
1 0.829009E+01 1.0000000
|
|
P 1
|
|
1 0.409932E+01 1.0000000
|
|
P 1
|
|
1 0.197063E+01 1.0000000
|
|
P 1
|
|
1 0.914005E+00 1.0000000
|
|
P 1
|
|
1 0.330530E+00 1.0000000
|
|
P 1
|
|
1 0.126074E+00 1.0000000
|
|
P 1
|
|
1 0.453055E-01 1.0000000
|
|
P 1
|
|
1 0.151890E-01 1.0000000
|
|
D 7
|
|
1 0.589140E+03 0.589619E-03
|
|
2 0.178508E+03 0.528209E-02
|
|
3 0.696660E+02 0.273454E-01
|
|
4 0.302580E+02 0.100489E+00
|
|
5 0.137922E+02 0.250421E+00
|
|
6 0.659121E+01 0.423190E+00
|
|
7 0.312779E+01 0.500000E+00
|
|
D 1
|
|
1 0.144881E+01 1.0000000
|
|
D 1
|
|
1 0.642153E+00 1.0000000
|
|
D 1
|
|
1 0.262368E+00 1.0000000
|
|
D 1
|
|
1 0.104000E+00 1.0000000
|
|
D 1
|
|
1 0.381960E-01 1.0000000
|
|
F 1
|
|
1 0.128000E+01 1.0000000
|
|
F 1
|
|
1 0.320000E+00 1.0000000
|
|
F 1
|
|
1 0.607570E-01 1.0000000
|
|
G 1
|
|
1 0.480000E+00 1.0000000
|
|
G 1
|
|
1 0.759460E-01 1.0000000
|
|
|
|
ARSENIC
|
|
S 12
|
|
1 0.807977E+07 0.104895E-04
|
|
2 0.121363E+07 0.812466E-04
|
|
3 0.276722E+06 0.426281E-03
|
|
4 0.784759E+05 0.179679E-02
|
|
5 0.256057E+05 0.652314E-02
|
|
6 0.923735E+04 0.210384E-01
|
|
7 0.360220E+04 0.604693E-01
|
|
8 0.148975E+04 0.154181E+00
|
|
9 0.645165E+03 0.325282E+00
|
|
10 0.291937E+03 0.500000E+00
|
|
11 0.135978E+03 0.452658E+00
|
|
12 0.632487E+02 0.147597E+00
|
|
S 7
|
|
1 0.254828E+04 -0.102177E-02
|
|
2 0.789800E+03 -0.103313E-01
|
|
3 0.305926E+03 -0.469183E-01
|
|
4 0.135221E+03 -0.982608E-01
|
|
5 0.318566E+02 0.350103E+00
|
|
6 0.160216E+02 0.500000E+00
|
|
7 0.802498E+01 0.194057E+00
|
|
S 4
|
|
1 0.258743E+02 -0.100449E+00
|
|
2 0.135138E+02 -0.211976E+00
|
|
3 0.426131E+01 0.426882E+00
|
|
4 0.209910E+01 0.500000E+00
|
|
S 2
|
|
1 0.255977E+01 0.339259E+00
|
|
2 0.109456E+01 0.500000E+00
|
|
S 1
|
|
1 0.521242E+00 1.0000000
|
|
S 1
|
|
1 0.223733E+00 1.0000000
|
|
S 1
|
|
1 0.908546E-01 1.0000000
|
|
S 1
|
|
1 0.341230E-01 1.0000000
|
|
P 6
|
|
1 0.180656E+06 0.293427E-04
|
|
2 0.277933E+05 0.597685E-03
|
|
3 0.658903E+04 0.554206E-02
|
|
4 0.214086E+04 0.318259E-01
|
|
5 0.820350E+03 0.139671E+00
|
|
6 0.349205E+03 0.500000E+00
|
|
P 1
|
|
1 0.157597E+03 1.0000000
|
|
P 1
|
|
1 0.749647E+02 1.0000000
|
|
P 1
|
|
1 0.368821E+02 1.0000000
|
|
P 1
|
|
1 0.183928E+02 1.0000000
|
|
P 1
|
|
1 0.917557E+01 1.0000000
|
|
P 1
|
|
1 0.454830E+01 1.0000000
|
|
P 1
|
|
1 0.220124E+01 1.0000000
|
|
P 1
|
|
1 0.103384E+01 1.0000000
|
|
P 1
|
|
1 0.398753E+00 1.0000000
|
|
P 1
|
|
1 0.157574E+00 1.0000000
|
|
P 1
|
|
1 0.582080E-01 1.0000000
|
|
P 1
|
|
1 0.200230E-01 1.0000000
|
|
D 7
|
|
1 0.707937E+03 0.482233E-03
|
|
2 0.215143E+03 0.437636E-02
|
|
3 0.836989E+02 0.236321E-01
|
|
4 0.361643E+02 0.904119E-01
|
|
5 0.166460E+02 0.228792E+00
|
|
6 0.807976E+01 0.405580E+00
|
|
7 0.392134E+01 0.500000E+00
|
|
D 1
|
|
1 0.187480E+01 1.0000000
|
|
D 1
|
|
1 0.862908E+00 1.0000000
|
|
D 1
|
|
1 0.367385E+00 1.0000000
|
|
D 1
|
|
1 0.110000E+00 1.0000000
|
|
D 1
|
|
1 0.310750E-01 1.0000000
|
|
F 1
|
|
1 0.141000E+01 1.0000000
|
|
F 1
|
|
1 0.350000E+00 1.0000000
|
|
F 1
|
|
1 0.800910E-01 1.0000000
|
|
G 1
|
|
1 0.530000E+00 1.0000000
|
|
G 1
|
|
1 0.100110E+00 1.0000000
|
|
|
|
SELENIUM
|
|
S 12
|
|
1 0.860047E+07 0.104798E-04
|
|
2 0.128395E+07 0.818180E-04
|
|
3 0.291782E+06 0.430707E-03
|
|
4 0.826300E+05 0.181547E-02
|
|
5 0.269957E+05 0.656471E-02
|
|
6 0.976735E+04 0.210730E-01
|
|
7 0.382132E+04 0.603169E-01
|
|
8 0.158450E+04 0.153574E+00
|
|
9 0.686952E+03 0.324479E+00
|
|
10 0.310816E+03 0.500000E+00
|
|
11 0.144734E+03 0.453269E+00
|
|
12 0.673506E+02 0.147955E+00
|
|
S 7
|
|
1 0.271050E+04 -0.102260E-02
|
|
2 0.840563E+03 -0.103415E-01
|
|
3 0.325575E+03 -0.471108E-01
|
|
4 0.143837E+03 -0.988077E-01
|
|
5 0.340438E+02 0.348951E+00
|
|
6 0.171864E+02 0.500000E+00
|
|
7 0.864889E+01 0.196131E+00
|
|
S 4
|
|
1 0.274202E+02 -0.111772E+00
|
|
2 0.142989E+02 -0.225742E+00
|
|
3 0.467960E+01 0.428955E+00
|
|
4 0.233864E+01 0.500000E+00
|
|
S 2
|
|
1 0.280309E+01 0.374890E+00
|
|
2 0.124276E+01 0.500000E+00
|
|
S 1
|
|
1 0.570194E+00 1.0000000
|
|
S 1
|
|
1 0.254785E+00 1.0000000
|
|
S 1
|
|
1 0.105550E+00 1.0000000
|
|
S 1
|
|
1 0.403810E-01 1.0000000
|
|
P 6
|
|
1 0.174196E+06 0.298425E-04
|
|
2 0.267993E+05 0.608354E-03
|
|
3 0.635050E+04 0.563840E-02
|
|
4 0.206228E+04 0.323637E-01
|
|
5 0.788042E+03 0.142180E+00
|
|
6 0.335340E+03 0.500000E+00
|
|
P 1
|
|
1 0.151349E+03 1.0000000
|
|
P 1
|
|
1 0.718055E+02 1.0000000
|
|
P 1
|
|
1 0.353178E+02 1.0000000
|
|
P 1
|
|
1 0.176178E+02 1.0000000
|
|
P 1
|
|
1 0.871569E+01 1.0000000
|
|
P 1
|
|
1 0.421782E+01 1.0000000
|
|
P 1
|
|
1 0.200293E+01 1.0000000
|
|
P 1
|
|
1 0.911058E+00 1.0000000
|
|
P 1
|
|
1 0.400576E+00 1.0000000
|
|
P 1
|
|
1 0.162480E+00 1.0000000
|
|
P 1
|
|
1 0.616401E-01 1.0000000
|
|
P 1
|
|
1 0.217350E-01 1.0000000
|
|
D 7
|
|
1 0.748065E+03 0.496301E-03
|
|
2 0.227300E+03 0.450584E-02
|
|
3 0.885716E+02 0.241855E-01
|
|
4 0.384127E+02 0.919314E-01
|
|
5 0.176765E+02 0.233598E+00
|
|
6 0.855070E+01 0.410796E+00
|
|
7 0.412814E+01 0.500000E+00
|
|
D 1
|
|
1 0.196345E+01 1.0000000
|
|
D 1
|
|
1 0.900103E+00 1.0000000
|
|
D 1
|
|
1 0.381101E+00 1.0000000
|
|
D 1
|
|
1 0.152000E+00 1.0000000
|
|
D 1
|
|
1 0.561460E-01 1.0000000
|
|
F 1
|
|
1 0.155000E+01 1.0000000
|
|
F 1
|
|
1 0.390000E+00 1.0000000
|
|
F 1
|
|
1 0.869410E-01 1.0000000
|
|
G 1
|
|
1 0.580000E+00 1.0000000
|
|
G 1
|
|
1 0.108680E+00 1.0000000
|
|
|
|
BROMINE
|
|
S 12
|
|
1 0.915870E+07 0.104207E-04
|
|
2 0.137362E+07 0.808641E-04
|
|
3 0.312814E+06 0.425077E-03
|
|
4 0.886144E+05 0.179341E-02
|
|
5 0.289157E+05 0.650298E-02
|
|
6 0.104411E+05 0.209440E-01
|
|
7 0.407519E+04 0.601693E-01
|
|
8 0.168620E+04 0.153520E+00
|
|
9 0.730500E+03 0.324391E+00
|
|
10 0.330680E+03 0.500000E+00
|
|
11 0.154172E+03 0.454761E+00
|
|
12 0.718253E+02 0.149923E+00
|
|
S 7
|
|
1 0.286003E+04 -0.103901E-02
|
|
2 0.887585E+03 -0.104801E-01
|
|
3 0.344056E+03 -0.476144E-01
|
|
4 0.152297E+03 -0.991494E-01
|
|
5 0.363820E+02 0.346151E+00
|
|
6 0.184710E+02 0.500000E+00
|
|
7 0.936399E+01 0.200963E+00
|
|
S 4
|
|
1 0.290489E+02 -0.139100E+00
|
|
2 0.150950E+02 -0.272104E+00
|
|
3 0.518470E+01 0.466902E+00
|
|
4 0.264933E+01 0.500000E+00
|
|
S 2
|
|
1 0.305803E+01 0.441297E+00
|
|
2 0.143401E+01 0.500000E+00
|
|
S 1
|
|
1 0.587161E+00 1.0000000
|
|
S 1
|
|
1 0.271554E+00 1.0000000
|
|
S 1
|
|
1 0.115901E+00 1.0000000
|
|
S 1
|
|
1 0.455770E-01 1.0000000
|
|
P 6
|
|
1 0.181765E+06 0.298223E-04
|
|
2 0.279638E+05 0.608164E-03
|
|
3 0.662233E+04 0.564326E-02
|
|
4 0.214893E+04 0.324307E-01
|
|
5 0.820382E+03 0.142640E+00
|
|
6 0.349014E+03 0.500000E+00
|
|
P 1
|
|
1 0.157601E+03 1.0000000
|
|
P 1
|
|
1 0.747526E+02 1.0000000
|
|
P 1
|
|
1 0.367816E+02 1.0000000
|
|
P 1
|
|
1 0.183802E+02 1.0000000
|
|
P 1
|
|
1 0.910171E+01 1.0000000
|
|
P 1
|
|
1 0.439827E+01 1.0000000
|
|
P 1
|
|
1 0.208529E+01 1.0000000
|
|
P 1
|
|
1 0.924875E+00 1.0000000
|
|
P 1
|
|
1 0.425696E+00 1.0000000
|
|
P 1
|
|
1 0.177672E+00 1.0000000
|
|
P 1
|
|
1 0.696200E-01 1.0000000
|
|
P 1
|
|
1 0.252980E-01 1.0000000
|
|
D 7
|
|
1 0.814113E+03 0.483763E-03
|
|
2 0.247443E+03 0.440807E-02
|
|
3 0.964647E+02 0.237939E-01
|
|
4 0.418867E+02 0.909095E-01
|
|
5 0.193260E+02 0.232181E+00
|
|
6 0.937302E+01 0.410214E+00
|
|
7 0.454286E+01 0.500000E+00
|
|
D 1
|
|
1 0.217400E+01 1.0000000
|
|
D 1
|
|
1 0.100324E+01 1.0000000
|
|
D 1
|
|
1 0.422725E+00 1.0000000
|
|
D 1
|
|
1 0.167000E+00 1.0000000
|
|
D 1
|
|
1 0.611430E-01 1.0000000
|
|
F 1
|
|
1 0.170000E+01 1.0000000
|
|
F 1
|
|
1 0.430000E+00 1.0000000
|
|
F 1
|
|
1 0.101190E+00 1.0000000
|
|
G 1
|
|
1 0.640000E+00 1.0000000
|
|
G 1
|
|
1 0.126490E+00 1.0000000
|
|
|
|
KRYPTON
|
|
S 12
|
|
1 0.983511E+07 0.102715E-04
|
|
2 0.147455E+07 0.797337E-04
|
|
3 0.335834E+06 0.418879E-03
|
|
4 0.951999E+05 0.176555E-02
|
|
5 0.310632E+05 0.641172E-02
|
|
6 0.111957E+05 0.207435E-01
|
|
7 0.435529E+04 0.599446E-01
|
|
8 0.179590E+04 0.153544E+00
|
|
9 0.777059E+03 0.324245E+00
|
|
10 0.352153E+03 0.500000E+00
|
|
11 0.164404E+03 0.458143E+00
|
|
12 0.766100E+02 0.153165E+00
|
|
S 7
|
|
1 0.300894E+04 -0.105565E-02
|
|
2 0.934159E+03 -0.106267E-01
|
|
3 0.362406E+03 -0.480760E-01
|
|
4 0.160841E+03 -0.991221E-01
|
|
5 0.387959E+02 0.343146E+00
|
|
6 0.197678E+02 0.500000E+00
|
|
7 0.100696E+02 0.203486E+00
|
|
S 4
|
|
1 0.307554E+02 -0.166833E+00
|
|
2 0.159427E+02 -0.318114E+00
|
|
3 0.569154E+01 0.503258E+00
|
|
4 0.297249E+01 0.500000E+00
|
|
S 2
|
|
1 0.333136E+01 0.480777E+00
|
|
2 0.161531E+01 0.500000E+00
|
|
S 1
|
|
1 0.635377E+00 1.0000000
|
|
S 1
|
|
1 0.294425E+00 1.0000000
|
|
S 1
|
|
1 0.127176E+00 1.0000000
|
|
S 1
|
|
1 0.505650E-01 1.0000000
|
|
P 6
|
|
1 0.199769E+06 0.293603E-04
|
|
2 0.307337E+05 0.599115E-03
|
|
3 0.727760E+04 0.556165E-02
|
|
4 0.236177E+04 0.319943E-01
|
|
5 0.901819E+03 0.141134E+00
|
|
6 0.383114E+03 0.500000E+00
|
|
P 1
|
|
1 0.172664E+03 1.0000000
|
|
P 1
|
|
1 0.817989E+02 1.0000000
|
|
P 1
|
|
1 0.402120E+02 1.0000000
|
|
P 1
|
|
1 0.200847E+02 1.0000000
|
|
P 1
|
|
1 0.995672E+01 1.0000000
|
|
P 1
|
|
1 0.482368E+01 1.0000000
|
|
P 1
|
|
1 0.229571E+01 1.0000000
|
|
P 1
|
|
1 0.101693E+01 1.0000000
|
|
P 1
|
|
1 0.475144E+00 1.0000000
|
|
P 1
|
|
1 0.201533E+00 1.0000000
|
|
P 1
|
|
1 0.803412E-01 1.0000000
|
|
P 1
|
|
1 0.296630E-01 1.0000000
|
|
D 7
|
|
1 0.972399E+03 0.402410E-03
|
|
2 0.295851E+03 0.372840E-02
|
|
3 0.114868E+03 0.208738E-01
|
|
4 0.498176E+02 0.818459E-01
|
|
5 0.233371E+02 0.211055E+00
|
|
6 0.115461E+02 0.390761E+00
|
|
7 0.576555E+01 0.500000E+00
|
|
D 1
|
|
1 0.287468E+01 1.0000000
|
|
D 1
|
|
1 0.139026E+01 1.0000000
|
|
D 1
|
|
1 0.625781E+00 1.0000000
|
|
D 1
|
|
1 0.257000E+00 1.0000000
|
|
D 1
|
|
1 0.975350E-01 1.0000000
|
|
F 1
|
|
1 0.187000E+01 1.0000000
|
|
F 1
|
|
1 0.470000E+00 1.0000000
|
|
F 1
|
|
1 0.118650E+00 1.0000000
|
|
G 1
|
|
1 0.700000E+00 1.0000000
|
|
G 1
|
|
1 0.148320E+00 1.0000000
|
|
|
|
|