mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 13:53:29 +01:00
710 lines
22 KiB
Plaintext
710 lines
22 KiB
Plaintext
ALUMINUM
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S 1
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P 1
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P 1
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D 1
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F 1
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F 1
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F 1
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F 1
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F 1
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SILICON
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S 11
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 3
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P 1
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P 1
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P 1
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D 1
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F 1
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G 1
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PHOSPHORUS
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S 11
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S 11
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 3
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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D 1
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F 1
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G 1
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SULFUR
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S 1
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P 3
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D 1
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CHLORINE
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S 11
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P 3
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G 1
|
|
1 23.4460000 1.0000000
|
|
G 1
|
|
1 9.1210000 1.0000000
|
|
G 1
|
|
1 0.2770000 1.0000000
|
|
H 1
|
|
1 1.0530000 1.0000000
|
|
H 1
|
|
1 18.0660000 1.0000000
|
|
H 1
|
|
1 0.6070000 1.0000000
|
|
|
|
ARGON
|
|
S 11
|
|
1 7401000.0000000 0.0000018
|
|
2 1108000.0000000 0.0000136
|
|
3 252100.0000000 0.0000716
|
|
4 71380.0000000 0.0003030
|
|
5 23260.0000000 0.0011061
|
|
6 8390.0000000 0.0036067
|
|
7 3271.0000000 0.0107132
|
|
8 1357.0000000 0.0291068
|
|
9 592.0000000 0.0716601
|
|
10 269.1000000 0.1541405
|
|
11 126.5000000 0.2704171
|
|
S 11
|
|
1 7401000.0000000 -0.0000005
|
|
2 1108000.0000000 -0.0000039
|
|
3 252100.0000000 -0.0000203
|
|
4 71380.0000000 -0.0000861
|
|
5 23260.0000000 -0.0003144
|
|
6 8390.0000000 -0.0010284
|
|
7 3271.0000000 -0.0030727
|
|
8 1357.0000000 -0.0084753
|
|
9 592.0000000 -0.0215201
|
|
10 269.1000000 -0.0494493
|
|
11 126.5000000 -0.0987759
|
|
S 1
|
|
1 61.0300000 1.0000000
|
|
S 1
|
|
1 29.8600000 1.0000000
|
|
S 1
|
|
1 14.1700000 1.0000000
|
|
S 1
|
|
1 7.0220000 1.0000000
|
|
S 1
|
|
1 3.5110000 1.0000000
|
|
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
|
|
S 1
|
|
1 0.0538000 1.0000000
|
|
P 3
|
|
1 2927.0000000 0.0002320
|
|
2 693.5000000 0.0020233
|
|
3 224.7000000 0.0110340
|
|
P 1
|
|
1 85.1700000 1.0000000
|
|
P 1
|
|
1 35.5300000 1.0000000
|
|
P 1
|
|
1 15.7300000 1.0000000
|
|
P 1
|
|
1 7.1650000 1.0000000
|
|
P 1
|
|
1 3.3220000 1.0000000
|
|
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
|
|
P 1
|
|
1 0.0402000 1.0000000
|
|
D 1
|
|
1 0.3090000 1.0000000
|
|
D 1
|
|
1 0.7700000 1.0000000
|
|
D 1
|
|
1 1.9170000 1.0000000
|
|
D 1
|
|
1 4.7760000 1.0000000
|
|
D 1
|
|
1 76.8080000 1.0000000
|
|
D 1
|
|
1 38.7370000 1.0000000
|
|
D 1
|
|
1 19.5370000 1.0000000
|
|
D 1
|
|
1 9.8530000 1.0000000
|
|
D 1
|
|
1 0.1210000 1.0000000
|
|
F 1
|
|
1 0.4080000 1.0000000
|
|
F 1
|
|
1 0.8250000 1.0000000
|
|
F 1
|
|
1 1.6680000 1.0000000
|
|
F 1
|
|
1 35.8730000 1.0000000
|
|
F 1
|
|
1 15.1400000 1.0000000
|
|
F 1
|
|
1 6.3900000 1.0000000
|
|
F 1
|
|
1 0.2090000 1.0000000
|
|
G 1
|
|
1 0.6650000 1.0000000
|
|
G 1
|
|
1 1.5620000 1.0000000
|
|
G 1
|
|
1 26.5600000 1.0000000
|
|
G 1
|
|
1 10.3060000 1.0000000
|
|
G 1
|
|
1 0.3340000 1.0000000
|
|
H 1
|
|
1 1.2640000 1.0000000
|
|
H 1
|
|
1 21.1040000 1.0000000
|
|
H 1
|
|
1 0.7420000 1.0000000
|
|
|
|
|