mirror of
https://github.com/pfloos/quack
synced 2024-11-05 13:43:51 +01:00
836 lines
30 KiB
Plaintext
836 lines
30 KiB
Plaintext
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ALUMINUM
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G 1
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G 1
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H 1
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I 1
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I 1
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SILICON
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S 16
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1 4465000.0000000 0.0000017
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S 16
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S 16
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S 1
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P 9
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PHOSPHORUS
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S 16
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|
||
|
|
16 5.8820000 -0.2387540
|
||
|
|
S 1
|
||
|
|
1 2.9390000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.4050000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.6963000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.3188000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1410000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0535700 1.0000000
|
||
|
|
P 9
|
||
|
|
1 7050.0000000 0.0000502
|
||
|
|
2 1669.0000000 0.0004454
|
||
|
|
3 542.1000000 0.0025480
|
||
|
|
4 207.1000000 0.0110155
|
||
|
|
5 87.5200000 0.0378490
|
||
|
|
6 39.6100000 0.1043550
|
||
|
|
7 18.7800000 0.2193350
|
||
|
|
8 9.1300000 0.3346150
|
||
|
|
9 4.5160000 0.3267710
|
||
|
|
P 9
|
||
|
|
1 7050.0000000 -0.0000140
|
||
|
|
2 1669.0000000 -0.0001243
|
||
|
|
3 542.1000000 -0.0007147
|
||
|
|
4 207.1000000 -0.0030968
|
||
|
|
5 87.5200000 -0.0107961
|
||
|
|
6 39.6100000 -0.0303536
|
||
|
|
7 18.7800000 -0.0659785
|
||
|
|
8 9.1300000 -0.1038770
|
||
|
|
9 4.5160000 -0.1099560
|
||
|
|
P 1
|
||
|
|
1 2.2450000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.0650000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.4885000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2166000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0925500 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0367800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 17.7430000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.5800000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.8890000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.2520000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5940000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2470000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0898000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.0582000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.5292000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.7647000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3824000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1830000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.8450000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.9657000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.5055000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2555000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 1.8743000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 0.8871000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 0.5265000 1.0000000
|
||
|
|
I 1
|
||
|
|
1 1.5066000 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.9926000 1.0000000
|
||
|
|
|
||
|
|
|