mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 06:43:43 +01:00
492 lines
18 KiB
Plaintext
492 lines
18 KiB
Plaintext
ALUMINUM
|
|
S 13
|
|
1 205500.0000000 6.7883600E-05
|
|
2 30780.0000000 5.2714900E-04
|
|
3 7006.0000000 2.7620300E-03
|
|
4 1985.0000000 1.1472800E-02
|
|
5 649.1000000 3.9818800E-02
|
|
6 235.0000000 1.1504000E-01
|
|
7 91.6200000 2.6088700E-01
|
|
8 37.6700000 3.9638600E-01
|
|
9 15.9100000 2.8459700E-01
|
|
10 5.8500000 4.4458300E-02
|
|
11 2.5420000 -4.8983800E-03
|
|
12 1.0570000 2.6125300E-03
|
|
13 0.1455000 7.2206800E-04
|
|
S 13
|
|
1 205500.0000000 -1.7637700E-05
|
|
2 30780.0000000 -1.3719500E-04
|
|
3 7006.0000000 -7.1891000E-04
|
|
4 1985.0000000 -3.0114600E-03
|
|
5 649.1000000 -1.0601400E-02
|
|
6 235.0000000 -3.2134500E-02
|
|
7 91.6200000 -8.0315600E-02
|
|
8 37.6700000 -1.5679400E-01
|
|
9 15.9100000 -1.6837600E-01
|
|
10 5.8500000 1.2687900E-01
|
|
11 2.5420000 5.6149400E-01
|
|
12 1.0570000 4.3661300E-01
|
|
13 0.1455000 -1.1456300E-02
|
|
S 13
|
|
1 205500.0000000 4.0731500E-06
|
|
2 30780.0000000 3.1656600E-05
|
|
3 7006.0000000 1.6611600E-04
|
|
4 1985.0000000 6.9499200E-04
|
|
5 649.1000000 2.4551100E-03
|
|
6 235.0000000 7.4459800E-03
|
|
7 91.6200000 1.8825300E-02
|
|
8 37.6700000 3.7277200E-02
|
|
9 15.9100000 4.1949600E-02
|
|
10 5.8500000 -3.5437500E-02
|
|
11 2.5420000 -1.7513200E-01
|
|
12 1.0570000 -2.7620300E-01
|
|
13 0.1455000 6.5280900E-01
|
|
S 1
|
|
1 0.2931000 1.0000000
|
|
S 1
|
|
1 0.0565000 1.0000000
|
|
S 1
|
|
1 0.0221000 1.0000000
|
|
S 1
|
|
1 7.4880000 1.0000000
|
|
S 1
|
|
1 1.2720000 1.0000000
|
|
P 7
|
|
1 444.4000000 1.6278600E-03
|
|
2 105.1000000 1.3068700E-02
|
|
3 33.4700000 6.1234100E-02
|
|
4 12.3300000 1.8787000E-01
|
|
5 4.8690000 3.6045200E-01
|
|
6 1.9610000 4.0845400E-01
|
|
7 0.1888000 9.7651400E-03
|
|
P 7
|
|
1 444.4000000 -2.8634100E-04
|
|
2 105.1000000 -2.4230800E-03
|
|
3 33.4700000 -1.0865800E-02
|
|
4 12.3300000 -3.6430700E-02
|
|
5 4.8690000 -6.4107400E-02
|
|
6 1.9610000 -9.7223900E-02
|
|
7 0.1888000 5.0344800E-01
|
|
P 1
|
|
1 0.7834000 1.0000000
|
|
P 1
|
|
1 0.0555700 1.0000000
|
|
P 1
|
|
1 0.0146000 1.0000000
|
|
P 1
|
|
1 2.2020000 1.0000000
|
|
P 1
|
|
1 5.5480000 1.0000000
|
|
D 1
|
|
1 1.7950000 1.0000000
|
|
D 1
|
|
1 0.3330000 1.0000000
|
|
D 1
|
|
1 0.1110000 1.0000000
|
|
D 1
|
|
1 0.0357000 1.0000000
|
|
D 1
|
|
1 4.9920000 1.0000000
|
|
D 1
|
|
1 13.8830000 1.0000000
|
|
F 1
|
|
1 0.2440000 1.0000000
|
|
F 1
|
|
1 0.0858000 1.0000000
|
|
F 1
|
|
1 5.6860000 1.0000000
|
|
|
|
SILICON
|
|
S 13
|
|
1 254900.0000000 6.2510100E-05
|
|
2 38190.0000000 4.8555300E-04
|
|
3 8690.0000000 2.5451600E-03
|
|
4 2462.0000000 1.0586600E-02
|
|
5 804.8000000 3.6878700E-02
|
|
6 291.3000000 1.0747900E-01
|
|
7 113.6000000 2.4793600E-01
|
|
8 46.7500000 3.9092700E-01
|
|
9 19.8200000 3.0202600E-01
|
|
10 7.7080000 5.5923600E-02
|
|
11 3.3400000 -4.0240600E-03
|
|
12 1.4020000 2.5803000E-03
|
|
13 0.2070000 6.0793000E-04
|
|
S 13
|
|
1 254900.0000000 -1.6637000E-05
|
|
2 38190.0000000 -1.2931000E-04
|
|
3 8690.0000000 -6.7882800E-04
|
|
4 2462.0000000 -2.8411700E-03
|
|
5 804.8000000 -1.0055100E-02
|
|
6 291.3000000 -3.0577400E-02
|
|
7 113.6000000 -7.7725600E-02
|
|
8 46.7500000 -1.5423600E-01
|
|
9 19.8200000 -1.8036800E-01
|
|
10 7.7080000 7.9821800E-02
|
|
11 3.3400000 5.4744100E-01
|
|
12 1.4020000 4.8011900E-01
|
|
13 0.2070000 -1.0699600E-02
|
|
S 13
|
|
1 254900.0000000 4.2625700E-06
|
|
2 38190.0000000 3.3106200E-05
|
|
3 8690.0000000 1.7401500E-04
|
|
4 2462.0000000 7.2757400E-04
|
|
5 804.8000000 2.5833300E-03
|
|
6 291.3000000 7.8635400E-03
|
|
7 113.6000000 2.0215500E-02
|
|
8 46.7500000 4.0732000E-02
|
|
9 19.8200000 4.9935800E-02
|
|
10 7.7080000 -2.4939600E-02
|
|
11 3.3400000 -1.9035000E-01
|
|
12 1.4020000 -3.1835000E-01
|
|
13 0.2070000 6.8118000E-01
|
|
S 1
|
|
1 0.4387000 1.0000000
|
|
S 1
|
|
1 0.0794400 1.0000000
|
|
S 1
|
|
1 0.0330000 1.0000000
|
|
S 1
|
|
1 9.1640000 1.0000000
|
|
S 1
|
|
1 1.6210000 1.0000000
|
|
P 7
|
|
1 481.5000000 1.9204500E-03
|
|
2 113.9000000 1.5355200E-02
|
|
3 36.2300000 7.1399100E-02
|
|
4 13.3400000 2.1305200E-01
|
|
5 5.2520000 3.9035400E-01
|
|
6 2.1200000 3.9372100E-01
|
|
7 0.2528000 3.9563000E-03
|
|
P 7
|
|
1 481.5000000 -4.0522000E-04
|
|
2 113.9000000 -3.3589600E-03
|
|
3 36.2300000 -1.5286000E-02
|
|
4 13.3400000 -4.8921800E-02
|
|
5 5.2520000 -8.5500800E-02
|
|
6 2.1200000 -1.1213700E-01
|
|
7 0.2528000 5.5191900E-01
|
|
P 1
|
|
1 0.8561000 1.0000000
|
|
P 1
|
|
1 0.0788900 1.0000000
|
|
P 1
|
|
1 0.0237000 1.0000000
|
|
P 1
|
|
1 6.4580000 1.0000000
|
|
P 1
|
|
1 2.5170000 1.0000000
|
|
D 1
|
|
1 2.2510000 1.0000000
|
|
D 1
|
|
1 0.4760000 1.0000000
|
|
D 1
|
|
1 0.1600000 1.0000000
|
|
D 1
|
|
1 0.0551000 1.0000000
|
|
D 1
|
|
1 16.9990000 1.0000000
|
|
D 1
|
|
1 6.1860000 1.0000000
|
|
F 1
|
|
1 0.3360000 1.0000000
|
|
F 1
|
|
1 0.1250000 1.0000000
|
|
F 1
|
|
1 7.0010000 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 13
|
|
1 312400.0000000 5.7696000E-05
|
|
2 46800.0000000 4.4829600E-04
|
|
3 10650.0000000 2.3493900E-03
|
|
4 3018.0000000 9.7826500E-03
|
|
5 986.8000000 3.4146700E-02
|
|
6 357.4000000 1.0020400E-01
|
|
7 139.6000000 2.3437200E-01
|
|
8 57.6300000 3.8243400E-01
|
|
9 24.6000000 3.1808800E-01
|
|
10 10.1200000 7.0778800E-02
|
|
11 4.2830000 -1.8179900E-03
|
|
12 1.8050000 2.1618000E-03
|
|
13 0.2782000 4.3229700E-04
|
|
S 13
|
|
1 312400.0000000 -1.5670900E-05
|
|
2 46800.0000000 -1.2172400E-04
|
|
3 10650.0000000 -6.3967200E-04
|
|
4 3018.0000000 -2.6742600E-03
|
|
5 986.8000000 -9.4983100E-03
|
|
6 357.4000000 -2.8934900E-02
|
|
7 139.6000000 -7.4512100E-02
|
|
8 57.6300000 -1.4993800E-01
|
|
9 24.6000000 -1.8946700E-01
|
|
10 10.1200000 3.6327000E-02
|
|
11 4.2830000 5.2881600E-01
|
|
12 1.8050000 5.1911500E-01
|
|
13 0.2782000 -9.2569500E-03
|
|
S 13
|
|
1 312400.0000000 4.3063100E-06
|
|
2 46800.0000000 3.3419400E-05
|
|
3 10650.0000000 1.7588500E-04
|
|
4 3018.0000000 7.3434000E-04
|
|
5 986.8000000 2.6177500E-03
|
|
6 357.4000000 7.9785200E-03
|
|
7 139.6000000 2.0794000E-02
|
|
8 57.6300000 4.2444600E-02
|
|
9 24.6000000 5.6343600E-02
|
|
10 10.1200000 -1.2735800E-02
|
|
11 4.2830000 -1.9649500E-01
|
|
12 1.8050000 -3.5355500E-01
|
|
13 0.2782000 7.0091200E-01
|
|
S 1
|
|
1 0.6158000 1.0000000
|
|
S 1
|
|
1 0.1055000 1.0000000
|
|
S 1
|
|
1 0.0409000 1.0000000
|
|
S 1
|
|
1 10.9780000 1.0000000
|
|
S 1
|
|
1 2.0060000 1.0000000
|
|
P 7
|
|
1 504.9000000 2.3372800E-03
|
|
2 119.4000000 1.8541000E-02
|
|
3 37.9600000 8.4969300E-02
|
|
4 13.9500000 2.4461500E-01
|
|
5 5.4570000 4.2276600E-01
|
|
6 2.1770000 3.6843900E-01
|
|
7 0.2877000 -3.7900500E-03
|
|
P 7
|
|
1 504.9000000 -5.5523600E-04
|
|
2 119.4000000 -4.4591300E-03
|
|
3 37.9600000 -2.0635000E-02
|
|
4 13.9500000 -6.1769400E-02
|
|
5 5.4570000 -1.0892400E-01
|
|
6 2.1770000 -1.0559900E-01
|
|
7 0.2877000 5.7698100E-01
|
|
P 1
|
|
1 0.8010000 1.0000000
|
|
P 1
|
|
1 0.0971400 1.0000000
|
|
P 1
|
|
1 0.0307000 1.0000000
|
|
P 1
|
|
1 7.0840000 1.0000000
|
|
P 1
|
|
1 2.7010000 1.0000000
|
|
D 1
|
|
1 2.7500000 1.0000000
|
|
D 1
|
|
1 0.6480000 1.0000000
|
|
D 1
|
|
1 0.2180000 1.0000000
|
|
D 1
|
|
1 0.0775000 1.0000000
|
|
D 1
|
|
1 20.4790000 1.0000000
|
|
D 1
|
|
1 7.5040000 1.0000000
|
|
F 1
|
|
1 0.4520000 1.0000000
|
|
F 1
|
|
1 0.1650000 1.0000000
|
|
F 1
|
|
1 8.4620000 1.0000000
|
|
|
|
SULFUR
|
|
S 13
|
|
1 374100.0000000 5.4214000E-05
|
|
2 56050.0000000 4.2085500E-04
|
|
3 12760.0000000 2.2069800E-03
|
|
4 3615.0000000 9.1925800E-03
|
|
5 1183.0000000 3.2112300E-02
|
|
6 428.8000000 9.4668300E-02
|
|
7 167.8000000 2.2363000E-01
|
|
8 69.4700000 3.7439300E-01
|
|
9 29.8400000 3.2910800E-01
|
|
10 12.7200000 8.4703800E-02
|
|
11 5.2440000 4.4085100E-04
|
|
12 2.2190000 1.6482700E-03
|
|
13 0.3490000 3.0130600E-04
|
|
S 13
|
|
1 374100.0000000 -1.4983700E-05
|
|
2 56050.0000000 -1.1619800E-04
|
|
3 12760.0000000 -6.1158300E-04
|
|
4 3615.0000000 -2.5537000E-03
|
|
5 1183.0000000 -9.0870800E-03
|
|
6 428.8000000 -2.7704500E-02
|
|
7 167.8000000 -7.2002000E-02
|
|
8 69.4700000 -1.4643900E-01
|
|
9 29.8400000 -1.9515000E-01
|
|
10 12.7200000 8.1919300E-03
|
|
11 5.2440000 5.1660100E-01
|
|
12 2.2190000 5.4217800E-01
|
|
13 0.3490000 -9.1807200E-03
|
|
S 13
|
|
1 374100.0000000 4.3506600E-06
|
|
2 56050.0000000 3.3714000E-05
|
|
3 12760.0000000 1.7767400E-04
|
|
4 3615.0000000 7.4111600E-04
|
|
5 1183.0000000 2.6459100E-03
|
|
6 428.8000000 8.0748700E-03
|
|
7 167.8000000 2.1227600E-02
|
|
8 69.4700000 4.3832300E-02
|
|
9 29.8400000 6.1271600E-02
|
|
10 12.7200000 -3.6151000E-03
|
|
11 5.2440000 -2.0451000E-01
|
|
12 2.2190000 -3.8187100E-01
|
|
13 0.3490000 7.1414700E-01
|
|
S 1
|
|
1 0.7767000 1.0000000
|
|
S 1
|
|
1 0.1322000 1.0000000
|
|
S 1
|
|
1 0.0497000 1.0000000
|
|
S 1
|
|
1 12.9280000 1.0000000
|
|
S 1
|
|
1 2.4130000 1.0000000
|
|
P 7
|
|
1 574.4000000 2.4226400E-03
|
|
2 135.8000000 1.9279600E-02
|
|
3 43.1900000 8.8540100E-02
|
|
4 15.8700000 2.5465400E-01
|
|
5 6.2080000 4.3398400E-01
|
|
6 2.4830000 3.5495300E-01
|
|
7 0.3229000 -5.0297700E-03
|
|
P 7
|
|
1 574.4000000 -6.2010200E-04
|
|
2 135.8000000 -4.9388200E-03
|
|
3 43.1900000 -2.3264700E-02
|
|
4 15.8700000 -6.8519500E-02
|
|
5 6.2080000 -1.2389600E-01
|
|
6 2.4830000 -9.6949900E-02
|
|
7 0.3229000 5.6939400E-01
|
|
P 1
|
|
1 0.8688000 1.0000000
|
|
P 1
|
|
1 0.1098000 1.0000000
|
|
P 1
|
|
1 0.0351000 1.0000000
|
|
P 1
|
|
1 8.1140000 1.0000000
|
|
P 1
|
|
1 3.1060000 1.0000000
|
|
D 1
|
|
1 3.2390000 1.0000000
|
|
D 1
|
|
1 0.8120000 1.0000000
|
|
D 1
|
|
1 0.2730000 1.0000000
|
|
D 1
|
|
1 0.1010000 1.0000000
|
|
D 1
|
|
1 24.0050000 1.0000000
|
|
D 1
|
|
1 8.8180000 1.0000000
|
|
F 1
|
|
1 0.5570000 1.0000000
|
|
F 1
|
|
1 0.2180000 1.0000000
|
|
F 1
|
|
1 10.0520000 1.0000000
|
|
|
|
CHLORINE
|
|
S 13
|
|
1 456100.0000000 4.9297000E-05
|
|
2 68330.0000000 3.8302900E-04
|
|
3 15550.0000000 2.0085400E-03
|
|
4 4405.0000000 8.3855800E-03
|
|
5 1439.0000000 2.9470300E-02
|
|
6 520.4000000 8.7832500E-02
|
|
7 203.1000000 2.1147300E-01
|
|
8 83.9600000 3.6536400E-01
|
|
9 36.2000000 3.4088400E-01
|
|
10 15.8300000 1.0213300E-01
|
|
11 6.3340000 3.1167500E-03
|
|
12 2.6940000 1.0575100E-03
|
|
13 0.4313000 1.5613600E-04
|
|
S 13
|
|
1 456100.0000000 -1.3830400E-05
|
|
2 68330.0000000 -1.0727900E-04
|
|
3 15550.0000000 -5.6508300E-04
|
|
4 4405.0000000 -2.3613500E-03
|
|
5 1439.0000000 -8.4588600E-03
|
|
6 520.4000000 -2.5963800E-02
|
|
7 203.1000000 -6.8636200E-02
|
|
8 83.9600000 -1.4187400E-01
|
|
9 36.2000000 -1.9931900E-01
|
|
10 15.8300000 -1.9566200E-02
|
|
11 6.3340000 4.9974100E-01
|
|
12 2.6940000 5.6373600E-01
|
|
13 0.4313000 -8.3509100E-03
|
|
S 13
|
|
1 456100.0000000 4.1854600E-06
|
|
2 68330.0000000 3.2439500E-05
|
|
3 15550.0000000 1.7110500E-04
|
|
4 4405.0000000 7.1417600E-04
|
|
5 1439.0000000 2.5670500E-03
|
|
6 520.4000000 7.8855200E-03
|
|
7 203.1000000 2.1086700E-02
|
|
8 83.9600000 4.4226400E-02
|
|
9 36.2000000 6.5167000E-02
|
|
10 15.8300000 6.0301200E-03
|
|
11 6.3340000 -2.0649500E-01
|
|
12 2.6940000 -4.0587100E-01
|
|
13 0.4313000 7.2566100E-01
|
|
S 1
|
|
1 0.9768000 1.0000000
|
|
S 1
|
|
1 0.1625000 1.0000000
|
|
S 1
|
|
1 0.0591000 1.0000000
|
|
S 1
|
|
1 15.0640000 1.0000000
|
|
S 1
|
|
1 2.8740000 1.0000000
|
|
P 7
|
|
1 663.3000000 2.4044800E-03
|
|
2 156.8000000 1.9214800E-02
|
|
3 49.9800000 8.8509700E-02
|
|
4 18.4200000 2.5602000E-01
|
|
5 7.2400000 4.3692700E-01
|
|
6 2.9220000 3.5033400E-01
|
|
7 0.3818000 -4.5842300E-03
|
|
P 7
|
|
1 663.3000000 -6.5214500E-04
|
|
2 156.8000000 -5.1944500E-03
|
|
3 49.9800000 -2.4693800E-02
|
|
4 18.4200000 -7.2816700E-02
|
|
5 7.2400000 -1.3403000E-01
|
|
6 2.9220000 -9.4774200E-02
|
|
7 0.3818000 5.6466700E-01
|
|
P 1
|
|
1 1.0220000 1.0000000
|
|
P 1
|
|
1 0.1301000 1.0000000
|
|
P 1
|
|
1 0.0419000 1.0000000
|
|
P 1
|
|
1 9.4800000 1.0000000
|
|
P 1
|
|
1 3.6680000 1.0000000
|
|
D 1
|
|
1 3.8460000 1.0000000
|
|
D 1
|
|
1 1.0110000 1.0000000
|
|
D 1
|
|
1 0.3390000 1.0000000
|
|
D 1
|
|
1 0.1300000 1.0000000
|
|
D 1
|
|
1 28.0950000 1.0000000
|
|
D 1
|
|
1 10.3950000 1.0000000
|
|
F 1
|
|
1 0.7060000 1.0000000
|
|
F 1
|
|
1 0.3120000 1.0000000
|
|
F 1
|
|
1 11.7790000 1.0000000
|
|
|
|
|