mirror of
https://github.com/pfloos/quack
synced 2024-12-23 21:03:47 +01:00
656 lines
25 KiB
Plaintext
656 lines
25 KiB
Plaintext
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ALUMINUM
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P 8
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SILICON
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S 16
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S 16
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S 16
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S 1
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S 1
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S 1
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P 8
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P 8
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P 1
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P 1
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D 1
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D 1
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H 1
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PHOSPHORUS
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S 16
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S 16
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S 1
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S 1
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S 1
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P 8
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H 1
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SULFUR
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S 16
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P 8
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1 2200.0000000 0.239049E-03
|
||
|
2 521.4000000 0.207686E-02
|
||
|
3 169.0000000 0.112363E-01
|
||
|
4 64.0500000 0.440690E-01
|
||
|
5 26.7200000 0.129168E+00
|
||
|
6 11.8300000 0.269083E+00
|
||
|
7 5.3780000 0.378611E+00
|
||
|
8 2.4820000 0.296779E+00
|
||
|
P 8
|
||
|
1 2200.0000000 -0.608562E-04
|
||
|
2 521.4000000 -0.530419E-03
|
||
|
3 169.0000000 -0.287915E-02
|
||
|
4 64.0500000 -0.114397E-01
|
||
|
5 26.7200000 -0.342764E-01
|
||
|
6 11.8300000 -0.735811E-01
|
||
|
7 5.3780000 -0.107782E+00
|
||
|
8 2.4820000 -0.879769E-01
|
||
|
P 1
|
||
|
1 1.1160000 1.0000000
|
||
|
P 1
|
||
|
1 0.4848000 1.0000000
|
||
|
P 1
|
||
|
1 0.2006000 1.0000000
|
||
|
P 1
|
||
|
1 0.0795100 1.0000000
|
||
|
D 1
|
||
|
1 6.5100000 1.0000000
|
||
|
D 1
|
||
|
1 1.5900000 1.0000000
|
||
|
D 1
|
||
|
1 0.8860000 1.0000000
|
||
|
D 1
|
||
|
1 0.4380000 1.0000000
|
||
|
D 1
|
||
|
1 0.1770000 1.0000000
|
||
|
F 1
|
||
|
1 0.2550000 1.0000000
|
||
|
F 1
|
||
|
1 0.5290000 1.0000000
|
||
|
F 1
|
||
|
1 1.0960000 1.0000000
|
||
|
G 1
|
||
|
1 0.4630000 1.0000000
|
||
|
G 1
|
||
|
1 1.0710000 1.0000000
|
||
|
H 1
|
||
|
1 0.8720000 1.0000000
|
||
|
|
||
|
CHLORINE
|
||
|
S 16
|
||
|
1 6410000.0000000 0.181350E-05
|
||
|
2 959600.0000000 0.141118E-04
|
||
|
3 218300.0000000 0.742406E-04
|
||
|
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|
||
|
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|
||
|
6 7264.0000000 0.373888E-02
|
||
|
7 2832.0000000 0.110946E-01
|
||
|
8 1175.0000000 0.301152E-01
|
||
|
9 512.6000000 0.739145E-01
|
||
|
10 233.0000000 0.158258E+00
|
||
|
11 109.5000000 0.274753E+00
|
||
|
12 52.8600000 0.334066E+00
|
||
|
13 25.8400000 0.217589E+00
|
||
|
14 12.1700000 0.457278E-01
|
||
|
15 6.0300000 -0.134739E-03
|
||
|
16 3.0120000 0.163933E-02
|
||
|
S 16
|
||
|
1 6410000.0000000 -0.508303E-06
|
||
|
2 959600.0000000 -0.395633E-05
|
||
|
3 218300.0000000 -0.208095E-04
|
||
|
4 61810.0000000 -0.881175E-04
|
||
|
5 20140.0000000 -0.321742E-03
|
||
|
6 7264.0000000 -0.105277E-02
|
||
|
7 2832.0000000 -0.314183E-02
|
||
|
8 1175.0000000 -0.866363E-02
|
||
|
9 512.6000000 -0.219353E-01
|
||
|
10 233.0000000 -0.502584E-01
|
||
|
11 109.5000000 -0.995414E-01
|
||
|
12 52.8600000 -0.157647E+00
|
||
|
13 25.8400000 -0.146024E+00
|
||
|
14 12.1700000 0.692230E-01
|
||
|
15 6.0300000 0.430412E+00
|
||
|
16 3.0120000 0.490802E+00
|
||
|
S 16
|
||
|
1 6410000.0000000 0.153808E-06
|
||
|
2 959600.0000000 0.119654E-05
|
||
|
3 218300.0000000 0.629828E-05
|
||
|
4 61810.0000000 0.266450E-04
|
||
|
5 20140.0000000 0.974162E-04
|
||
|
6 7264.0000000 0.318360E-03
|
||
|
7 2832.0000000 0.952377E-03
|
||
|
8 1175.0000000 0.262430E-02
|
||
|
9 512.6000000 0.668160E-02
|
||
|
10 233.0000000 0.153595E-01
|
||
|
11 109.5000000 0.309432E-01
|
||
|
12 52.8600000 0.500638E-01
|
||
|
13 25.8400000 0.489782E-01
|
||
|
14 12.1700000 -0.260807E-01
|
||
|
15 6.0300000 -0.178426E+00
|
||
|
16 3.0120000 -0.332324E+00
|
||
|
S 1
|
||
|
1 1.5110000 1.0000000
|
||
|
S 1
|
||
|
1 0.6604000 1.0000000
|
||
|
S 1
|
||
|
1 0.2926000 1.0000000
|
||
|
S 1
|
||
|
1 0.1254000 1.0000000
|
||
|
P 8
|
||
|
1 2548.0000000 0.235702E-03
|
||
|
2 603.7000000 0.205158E-02
|
||
|
3 195.6000000 0.111543E-01
|
||
|
4 74.1500000 0.439816E-01
|
||
|
5 30.9400000 0.129994E+00
|
||
|
6 13.6900000 0.272959E+00
|
||
|
7 6.2290000 0.383690E+00
|
||
|
8 2.8780000 0.291870E+00
|
||
|
P 8
|
||
|
1 2548.0000000 -0.635410E-04
|
||
|
2 603.7000000 -0.553259E-03
|
||
|
3 195.6000000 -0.302795E-02
|
||
|
4 74.1500000 -0.120650E-01
|
||
|
5 30.9400000 -0.366348E-01
|
||
|
6 13.6900000 -0.790764E-01
|
||
|
7 6.2290000 -0.117422E+00
|
||
|
8 2.8780000 -0.860943E-01
|
||
|
P 1
|
||
|
1 1.2820000 1.0000000
|
||
|
P 1
|
||
|
1 0.5641000 1.0000000
|
||
|
P 1
|
||
|
1 0.2348000 1.0000000
|
||
|
P 1
|
||
|
1 0.0931200 1.0000000
|
||
|
D 1
|
||
|
1 8.3990000 1.0000000
|
||
|
D 1
|
||
|
1 2.0300000 1.0000000
|
||
|
D 1
|
||
|
1 1.0970000 1.0000000
|
||
|
D 1
|
||
|
1 0.5490000 1.0000000
|
||
|
D 1
|
||
|
1 0.2210000 1.0000000
|
||
|
F 1
|
||
|
1 0.3200000 1.0000000
|
||
|
F 1
|
||
|
1 0.6560000 1.0000000
|
||
|
F 1
|
||
|
1 1.3450000 1.0000000
|
||
|
G 1
|
||
|
1 0.5560000 1.0000000
|
||
|
G 1
|
||
|
1 1.3020000 1.0000000
|
||
|
H 1
|
||
|
1 1.0530000 1.0000000
|
||
|
|
||
|
ARGON
|
||
|
S 16
|
||
|
1 7401000.0000000 0.175018E-05
|
||
|
2 1108000.0000000 0.136147E-04
|
||
|
3 252100.0000000 0.716297E-04
|
||
|
4 71380.0000000 0.303035E-03
|
||
|
5 23260.0000000 0.110610E-02
|
||
|
6 8390.0000000 0.360679E-02
|
||
|
7 3271.0000000 0.107134E-01
|
||
|
8 1357.0000000 0.291074E-01
|
||
|
9 592.0000000 0.716617E-01
|
||
|
10 269.1000000 0.154144E+00
|
||
|
11 126.5000000 0.270423E+00
|
||
|
12 61.0300000 0.334862E+00
|
||
|
13 29.8600000 0.224347E+00
|
||
|
14 14.1700000 0.500081E-01
|
||
|
15 7.0220000 0.149726E-03
|
||
|
16 3.5110000 0.210369E-02
|
||
|
S 16
|
||
|
1 7401000.0000000 -0.520448E-06
|
||
|
2 1108000.0000000 -0.404909E-05
|
||
|
3 252100.0000000 -0.213023E-04
|
||
|
4 71380.0000000 -0.901686E-04
|
||
|
5 23260.0000000 -0.329374E-03
|
||
|
6 8390.0000000 -0.107715E-02
|
||
|
7 3271.0000000 -0.321892E-02
|
||
|
8 1357.0000000 -0.887845E-02
|
||
|
9 592.0000000 -0.225545E-01
|
||
|
10 269.1000000 -0.518453E-01
|
||
|
11 126.5000000 -0.103722E+00
|
||
|
12 61.0300000 -0.166595E+00
|
||
|
13 29.8600000 -0.160165E+00
|
||
|
14 14.1700000 0.623654E-01
|
||
|
15 7.0220000 0.465534E+00
|
||
|
16 3.5110000 0.581564E+00
|
||
|
S 16
|
||
|
1 7401000.0000000 0.230379E-08
|
||
|
2 1108000.0000000 0.174221E-07
|
||
|
3 252100.0000000 0.955300E-07
|
||
|
4 71380.0000000 0.383619E-06
|
||
|
5 23260.0000000 0.150535E-05
|
||
|
6 8390.0000000 0.458632E-05
|
||
|
7 3271.0000000 0.155002E-04
|
||
|
8 1357.0000000 0.406695E-04
|
||
|
9 592.0000000 0.131337E-03
|
||
|
10 269.1000000 0.332685E-03
|
||
|
11 126.5000000 0.106670E-02
|
||
|
12 61.0300000 0.257210E-02
|
||
|
13 29.8600000 0.483584E-02
|
||
|
14 14.1700000 -0.385728E-02
|
||
|
15 7.0220000 -0.476125E-01
|
||
|
16 3.5110000 -0.182957E+00
|
||
|
S 1
|
||
|
1 1.7580000 1.0000000
|
||
|
S 1
|
||
|
1 0.7841000 1.0000000
|
||
|
S 1
|
||
|
1 0.3480000 1.0000000
|
||
|
S 1
|
||
|
1 0.1491000 1.0000000
|
||
|
P 8
|
||
|
1 2927.0000000 0.188338E-03
|
||
|
2 693.5000000 0.164288E-02
|
||
|
3 224.7000000 0.894893E-02
|
||
|
4 85.1700000 0.355111E-01
|
||
|
5 35.5300000 0.105147E+00
|
||
|
6 15.7300000 0.221552E+00
|
||
|
7 7.1650000 0.308412E+00
|
||
|
8 3.3220000 0.232203E+00
|
||
|
P 8
|
||
|
1 2927.0000000 -0.150207E-03
|
||
|
2 693.5000000 -0.130928E-02
|
||
|
3 224.7000000 -0.716501E-02
|
||
|
4 85.1700000 -0.285723E-01
|
||
|
5 35.5300000 -0.860158E-01
|
||
|
6 15.7300000 -0.183996E+00
|
||
|
7 7.1650000 -0.265844E+00
|
||
|
8 3.3220000 -0.188741E+00
|
||
|
P 1
|
||
|
1 1.4780000 1.0000000
|
||
|
P 1
|
||
|
1 0.6552000 1.0000000
|
||
|
P 1
|
||
|
1 0.2751000 1.0000000
|
||
|
P 1
|
||
|
1 0.1097000 1.0000000
|
||
|
D 1
|
||
|
1 10.5180000 1.0000000
|
||
|
D 1
|
||
|
1 2.5160000 1.0000000
|
||
|
D 1
|
||
|
1 1.3320000 1.0000000
|
||
|
D 1
|
||
|
1 0.6730000 1.0000000
|
||
|
D 1
|
||
|
1 0.2700000 1.0000000
|
||
|
F 1
|
||
|
1 0.4080000 1.0000000
|
||
|
F 1
|
||
|
1 0.8250000 1.0000000
|
||
|
F 1
|
||
|
1 1.6680000 1.0000000
|
||
|
G 1
|
||
|
1 0.6650000 1.0000000
|
||
|
G 1
|
||
|
1 1.5620000 1.0000000
|
||
|
H 1
|
||
|
1 1.2640000 1.0000000
|
||
|
|
||
|
|