mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 13:53:29 +01:00
1340 lines
42 KiB
Plaintext
1340 lines
42 KiB
Plaintext
BORON
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S 10
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1 68260.0000000 0.0000240
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2 10230.0000000 0.0001850
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3 2328.0000000 0.0009700
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4 660.4000000 0.0040560
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5 216.2000000 0.0143990
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6 78.6000000 0.0439010
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7 30.9800000 0.1130570
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8 12.9600000 0.2338250
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9 5.6590000 0.3539600
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10 2.5560000 0.3015470
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S 10
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|
1 68260.0000000 -0.0000050
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2 10230.0000000 -0.0000370
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3 2328.0000000 -0.0001960
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4 660.4000000 -0.0008240
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5 216.2000000 -0.0029230
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6 78.6000000 -0.0091380
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7 30.9800000 -0.0241050
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8 12.9600000 -0.0547550
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9 5.6590000 -0.0969430
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10 2.5560000 -0.1374850
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S 1
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|
1 1.1750000 1.0000000
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S 1
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|
1 0.4249000 1.0000000
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S 1
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|
1 0.1712000 1.0000000
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S 1
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1 0.0691300 1.0000000
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S 1
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|
1 5.8140000 1.0000000
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S 1
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|
1 12.8940000 1.0000000
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|
S 1
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|
1 28.5950000 1.0000000
|
|
S 1
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|
1 63.4190000 1.0000000
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|
S 1
|
|
1 0.0261000 1.0000000
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P 4
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2 15.7100000 0.0064090
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4 1.7700000 0.0921520
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P 1
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|
1 0.7008000 1.0000000
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P 1
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|
1 0.2901000 1.0000000
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P 1
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|
1 0.1211000 1.0000000
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P 1
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|
1 0.0497300 1.0000000
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P 1
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|
1 3.9740000 1.0000000
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P 1
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|
1 10.2720000 1.0000000
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P 1
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|
1 26.5480000 1.0000000
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P 1
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|
1 68.6130000 1.0000000
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P 1
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|
1 0.0157000 1.0000000
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D 1
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1 2.0100000 1.0000000
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D 1
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1 0.7960000 1.0000000
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D 1
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1 0.3160000 1.0000000
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D 1
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1 0.1250000 1.0000000
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D 1
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1 4.9550000 1.0000000
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D 1
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1 14.6710000 1.0000000
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D 1
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1 43.4370000 1.0000000
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D 1
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1 0.0431000 1.0000000
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F 1
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1 1.2150000 1.0000000
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F 1
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1 0.5250000 1.0000000
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F 1
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1 0.2270000 1.0000000
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F 1
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1 4.2920000 1.0000000
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F 1
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1 20.4500000 1.0000000
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F 1
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1 0.0843000 1.0000000
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G 1
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1 1.1240000 1.0000000
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G 1
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1 0.4610000 1.0000000
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G 1
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1 4.3880000 1.0000000
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G 1
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1 0.2020000 1.0000000
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H 1
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1 0.8340000 1.0000000
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H 1
|
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1 0.3840000 1.0000000
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|
CARBON
|
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S 10
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1 96770.0000000 0.0000250
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2 14500.0000000 0.0001900
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3 3300.0000000 0.0010000
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4 935.8000000 0.0041830
|
|
5 306.2000000 0.0148590
|
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6 111.3000000 0.0453010
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|
7 43.9000000 0.1165040
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8 18.4000000 0.2402490
|
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9 8.0540000 0.3587990
|
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10 3.6370000 0.2939410
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S 10
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|
1 96770.0000000 -0.0000050
|
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2 14500.0000000 -0.0000410
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|
3 3300.0000000 -0.0002130
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|
4 935.8000000 -0.0008970
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5 306.2000000 -0.0031870
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6 111.3000000 -0.0099610
|
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7 43.9000000 -0.0263750
|
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8 18.4000000 -0.0600010
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9 8.0540000 -0.1068250
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10 3.6370000 -0.1441660
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S 1
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1 1.6560000 1.0000000
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S 1
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1 0.6333000 1.0000000
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S 1
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1 0.2545000 1.0000000
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S 1
|
|
1 0.1019000 1.0000000
|
|
S 1
|
|
1 7.9670000 1.0000000
|
|
S 1
|
|
1 17.4520000 1.0000000
|
|
S 1
|
|
1 38.2260000 1.0000000
|
|
S 1
|
|
1 83.7310000 1.0000000
|
|
S 1
|
|
1 0.0394000 1.0000000
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|
P 4
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|
1 101.8000000 0.0008910
|
|
2 24.0400000 0.0069760
|
|
3 7.5710000 0.0316690
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|
|
P 1
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|
1 1.0850000 1.0000000
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P 1
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|
1 0.4496000 1.0000000
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P 1
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|
1 0.1876000 1.0000000
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P 1
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|
1 0.0760600 1.0000000
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P 1
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|
1 6.0800000 1.0000000
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|
P 1
|
|
1 15.3580000 1.0000000
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|
P 1
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|
1 38.7990000 1.0000000
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|
P 1
|
|
1 98.0170000 1.0000000
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|
P 1
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|
1 0.0272000 1.0000000
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D 1
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|
1 3.1340000 1.0000000
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D 1
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|
1 1.2330000 1.0000000
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D 1
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1 0.4850000 1.0000000
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|
D 1
|
|
1 0.1910000 1.0000000
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|
D 1
|
|
1 7.5910000 1.0000000
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|
D 1
|
|
1 21.4190000 1.0000000
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|
D 1
|
|
1 60.4390000 1.0000000
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|
D 1
|
|
1 0.0701000 1.0000000
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|
F 1
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|
1 2.0060000 1.0000000
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|
F 1
|
|
1 0.8380000 1.0000000
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|
F 1
|
|
1 0.3500000 1.0000000
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|
F 1
|
|
1 6.6980000 1.0000000
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|
F 1
|
|
1 24.3980000 1.0000000
|
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F 1
|
|
1 0.1380000 1.0000000
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|
G 1
|
|
1 1.7530000 1.0000000
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G 1
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|
1 0.6780000 1.0000000
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G 1
|
|
1 7.3110000 1.0000000
|
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G 1
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|
1 0.3190000 1.0000000
|
|
H 1
|
|
1 1.2590000 1.0000000
|
|
H 1
|
|
1 0.5860000 1.0000000
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|
|
|
NITROGEN
|
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S 10
|
|
1 129200.0000000 0.0000250
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2 19350.0000000 0.0001970
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3 4404.0000000 0.0010320
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4 1248.0000000 0.0043250
|
|
5 408.0000000 0.0153800
|
|
6 148.2000000 0.0468670
|
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7 58.5000000 0.1201160
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8 24.5900000 0.2456950
|
|
9 10.8100000 0.3613790
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10 4.8820000 0.2872830
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|
S 10
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1 129200.0000000 -0.0000060
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|
2 19350.0000000 -0.0000430
|
|
3 4404.0000000 -0.0002270
|
|
4 1248.0000000 -0.0009580
|
|
5 408.0000000 -0.0034160
|
|
6 148.2000000 -0.0106670
|
|
7 58.5000000 -0.0282790
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|
8 24.5900000 -0.0640200
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|
9 10.8100000 -0.1139320
|
|
10 4.8820000 -0.1469950
|
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S 1
|
|
1 2.1950000 1.0000000
|
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S 1
|
|
1 0.8715000 1.0000000
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S 1
|
|
1 0.3504000 1.0000000
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S 1
|
|
1 0.1397000 1.0000000
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|
S 1
|
|
1 10.4220000 1.0000000
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|
S 1
|
|
1 22.5960000 1.0000000
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S 1
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|
1 48.9930000 1.0000000
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S 1
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|
1 106.2260000 1.0000000
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S 1
|
|
1 0.0518000 1.0000000
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P 4
|
|
1 147.0000000 0.0008920
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2 34.7600000 0.0070820
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|
3 11.0000000 0.0328160
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4 3.9950000 0.1082090
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P 1
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|
1 1.5870000 1.0000000
|
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P 1
|
|
1 0.6533000 1.0000000
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|
P 1
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|
1 0.2686000 1.0000000
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P 1
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|
1 0.1067000 1.0000000
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P 1
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|
1 8.7660000 1.0000000
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|
P 1
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|
1 21.6760000 1.0000000
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|
P 1
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|
1 53.6000000 1.0000000
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|
P 1
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|
1 132.5440000 1.0000000
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|
P 1
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|
1 0.0369000 1.0000000
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D 1
|
|
1 4.6470000 1.0000000
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|
D 1
|
|
1 1.8130000 1.0000000
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|
D 1
|
|
1 0.7070000 1.0000000
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|
D 1
|
|
1 0.2760000 1.0000000
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|
D 1
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|
1 11.0160000 1.0000000
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|
D 1
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|
1 29.8060000 1.0000000
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|
D 1
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|
1 80.6430000 1.0000000
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|
D 1
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|
1 0.0971000 1.0000000
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|
F 1
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1 2.9420000 1.0000000
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|
F 1
|
|
1 1.2040000 1.0000000
|
|
F 1
|
|
1 0.4930000 1.0000000
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F 1
|
|
1 9.4860000 1.0000000
|
|
F 1
|
|
1 30.7520000 1.0000000
|
|
F 1
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|
1 0.1920000 1.0000000
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G 1
|
|
1 2.5110000 1.0000000
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G 1
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|
1 0.9420000 1.0000000
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|
G 1
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|
1 10.8350000 1.0000000
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G 1
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|
1 0.4360000 1.0000000
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|
H 1
|
|
1 1.7680000 1.0000000
|
|
H 1
|
|
1 0.7880000 1.0000000
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|
|
|
OXYGEN
|
|
S 10
|
|
1 164200.0000000 0.0000260
|
|
2 24590.0000000 0.0002050
|
|
3 5592.0000000 0.0010760
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|
4 1582.0000000 0.0045220
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|
5 516.1000000 0.0161080
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|
6 187.2000000 0.0490850
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|
7 73.9300000 0.1248570
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|
8 31.2200000 0.2516860
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|
9 13.8100000 0.3624200
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|
10 6.2560000 0.2790510
|
|
S 10
|
|
1 164200.0000000 -0.0000060
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|
2 24590.0000000 -0.0000460
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|
3 5592.0000000 -0.0002440
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|
4 1582.0000000 -0.0010310
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5 516.1000000 -0.0036880
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|
6 187.2000000 -0.0115140
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|
7 73.9300000 -0.0304350
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|
8 31.2200000 -0.0681470
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|
9 13.8100000 -0.1203680
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|
10 6.2560000 -0.1482600
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|
S 1
|
|
1 2.7760000 1.0000000
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|
S 1
|
|
1 1.1380000 1.0000000
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|
S 1
|
|
1 0.4600000 1.0000000
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|
S 1
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|
1 0.1829000 1.0000000
|
|
S 1
|
|
1 12.9410000 1.0000000
|
|
S 1
|
|
1 28.2000000 1.0000000
|
|
S 1
|
|
1 61.4490000 1.0000000
|
|
S 1
|
|
1 133.9000000 1.0000000
|
|
S 1
|
|
1 0.0655000 1.0000000
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|
P 4
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|
1 195.5000000 0.0009180
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|
2 46.1600000 0.0073880
|
|
3 14.5800000 0.0349580
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|
4 5.2960000 0.1154310
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|
P 1
|
|
1 2.0940000 1.0000000
|
|
P 1
|
|
1 0.8471000 1.0000000
|
|
P 1
|
|
1 0.3368000 1.0000000
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|
P 1
|
|
1 0.1285000 1.0000000
|
|
P 1
|
|
1 11.5600000 1.0000000
|
|
P 1
|
|
1 28.3210000 1.0000000
|
|
P 1
|
|
1 69.3870000 1.0000000
|
|
P 1
|
|
1 169.9980000 1.0000000
|
|
P 1
|
|
1 0.0446000 1.0000000
|
|
D 1
|
|
1 5.8790000 1.0000000
|
|
D 1
|
|
1 2.3070000 1.0000000
|
|
D 1
|
|
1 0.9050000 1.0000000
|
|
D 1
|
|
1 0.3550000 1.0000000
|
|
D 1
|
|
1 14.0080000 1.0000000
|
|
D 1
|
|
1 37.2450000 1.0000000
|
|
D 1
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|
1 99.0260000 1.0000000
|
|
D 1
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|
1 0.1310000 1.0000000
|
|
F 1
|
|
1 4.0160000 1.0000000
|
|
F 1
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|
1 1.5540000 1.0000000
|
|
F 1
|
|
1 0.6010000 1.0000000
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|
F 1
|
|
1 12.6530000 1.0000000
|
|
F 1
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|
1 38.7370000 1.0000000
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F 1
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|
1 0.2370000 1.0000000
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|
G 1
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|
1 3.3500000 1.0000000
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|
G 1
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|
1 1.1890000 1.0000000
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G 1
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|
1 14.8860000 1.0000000
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|
G 1
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|
1 0.5170000 1.0000000
|
|
H 1
|
|
1 2.3190000 1.0000000
|
|
H 1
|
|
1 1.0240000 1.0000000
|
|
|
|
FLUORINE
|
|
S 10
|
|
1 211400.0000000 0.0000260
|
|
2 31660.0000000 0.0002010
|
|
3 7202.0000000 0.0010560
|
|
4 2040.0000000 0.0044320
|
|
5 666.4000000 0.0157660
|
|
6 242.0000000 0.0481120
|
|
7 95.5300000 0.1232320
|
|
8 40.2300000 0.2515190
|
|
9 17.7200000 0.3645250
|
|
10 8.0050000 0.2797660
|
|
S 10
|
|
1 211400.0000000 -0.0000060
|
|
2 31660.0000000 -0.0000470
|
|
3 7202.0000000 -0.0002440
|
|
4 2040.0000000 -0.0010310
|
|
5 666.4000000 -0.0036830
|
|
6 242.0000000 -0.0115130
|
|
7 95.5300000 -0.0306630
|
|
8 40.2300000 -0.0695720
|
|
9 17.7200000 -0.1239920
|
|
10 8.0050000 -0.1502140
|
|
S 1
|
|
1 3.5380000 1.0000000
|
|
S 1
|
|
1 1.4580000 1.0000000
|
|
S 1
|
|
1 0.5887000 1.0000000
|
|
S 1
|
|
1 0.2324000 1.0000000
|
|
S 1
|
|
1 16.2490000 1.0000000
|
|
S 1
|
|
1 35.0330000 1.0000000
|
|
S 1
|
|
1 75.5310000 1.0000000
|
|
S 1
|
|
1 162.8450000 1.0000000
|
|
S 1
|
|
1 0.0806000 1.0000000
|
|
P 4
|
|
1 241.9000000 0.0010020
|
|
2 57.1700000 0.0080540
|
|
3 18.1300000 0.0380480
|
|
4 6.6240000 0.1237790
|
|
P 1
|
|
1 2.6220000 1.0000000
|
|
P 1
|
|
1 1.0570000 1.0000000
|
|
P 1
|
|
1 0.4176000 1.0000000
|
|
P 1
|
|
1 0.1574000 1.0000000
|
|
P 1
|
|
1 14.5470000 1.0000000
|
|
P 1
|
|
1 35.3800000 1.0000000
|
|
P 1
|
|
1 86.0510000 1.0000000
|
|
P 1
|
|
1 209.2930000 1.0000000
|
|
P 1
|
|
1 0.0550000 1.0000000
|
|
D 1
|
|
1 7.7600000 1.0000000
|
|
D 1
|
|
1 3.0320000 1.0000000
|
|
D 1
|
|
1 1.1850000 1.0000000
|
|
D 1
|
|
1 0.4630000 1.0000000
|
|
D 1
|
|
1 18.3330000 1.0000000
|
|
D 1
|
|
1 47.6340000 1.0000000
|
|
D 1
|
|
1 123.7710000 1.0000000
|
|
D 1
|
|
1 0.1720000 1.0000000
|
|
F 1
|
|
1 5.3980000 1.0000000
|
|
F 1
|
|
1 2.0780000 1.0000000
|
|
F 1
|
|
1 0.8000000 1.0000000
|
|
F 1
|
|
1 16.6460000 1.0000000
|
|
F 1
|
|
1 49.4130000 1.0000000
|
|
F 1
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|
1 0.3310000 1.0000000
|
|
G 1
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|
1 4.3380000 1.0000000
|
|
G 1
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|
1 1.5130000 1.0000000
|
|
G 1
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|
1 19.6090000 1.0000000
|
|
G 1
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|
1 0.6630000 1.0000000
|
|
H 1
|
|
1 2.9950000 1.0000000
|
|
H 1
|
|
1 1.3260000 1.0000000
|
|
|
|
NEON
|
|
S 10
|
|
1 262700.0000000 0.0000260
|
|
2 39350.0000000 0.0002000
|
|
3 8955.0000000 0.0010500
|
|
4 2538.0000000 0.0044000
|
|
5 829.9000000 0.0156490
|
|
6 301.5000000 0.0477580
|
|
7 119.0000000 0.1229430
|
|
8 50.0000000 0.2524830
|
|
9 21.9800000 0.3663140
|
|
10 9.8910000 0.2796170
|
|
S 10
|
|
1 262700.0000000 -0.0000060
|
|
2 39350.0000000 -0.0000470
|
|
3 8955.0000000 -0.0002470
|
|
4 2538.0000000 -0.0010380
|
|
5 829.9000000 -0.0037110
|
|
6 301.5000000 -0.0115930
|
|
7 119.0000000 -0.0310860
|
|
8 50.0000000 -0.0709720
|
|
9 21.9800000 -0.1272660
|
|
10 9.8910000 -0.1512310
|
|
S 1
|
|
1 4.3270000 1.0000000
|
|
S 1
|
|
1 1.8040000 1.0000000
|
|
S 1
|
|
1 0.7288000 1.0000000
|
|
S 1
|
|
1 0.2867000 1.0000000
|
|
S 1
|
|
1 19.8560000 1.0000000
|
|
S 1
|
|
1 42.5410000 1.0000000
|
|
S 1
|
|
1 91.1390000 1.0000000
|
|
S 1
|
|
1 195.2560000 1.0000000
|
|
S 1
|
|
1 0.0957000 1.0000000
|
|
P 4
|
|
1 299.1000000 0.0010380
|
|
2 70.7300000 0.0083750
|
|
3 22.4800000 0.0396930
|
|
4 8.2460000 0.1280560
|
|
P 1
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|
1 3.2690000 1.0000000
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P 1
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1 1.3150000 1.0000000
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P 1
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1 0.5158000 1.0000000
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P 1
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1 0.1918000 1.0000000
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P 1
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1 18.0930000 1.0000000
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P 1
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1 43.4690000 1.0000000
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P 1
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1 104.4380000 1.0000000
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P 1
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1 250.9190000 1.0000000
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P 1
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1 0.0654000 1.0000000
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D 1
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1 9.8370000 1.0000000
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D 1
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1 3.8440000 1.0000000
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1 1.5020000 1.0000000
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1 0.5870000 1.0000000
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1 23.1150000 1.0000000
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1 58.9830000 1.0000000
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1 150.5080000 1.0000000
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D 1
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1 0.2130000 1.0000000
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F 1
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1 7.0900000 1.0000000
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F 1
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1 2.7380000 1.0000000
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F 1
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1 1.0570000 1.0000000
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F 1
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1 21.4600000 1.0000000
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F 1
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1 62.3680000 1.0000000
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F 1
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1 0.4250000 1.0000000
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G 1
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1 5.4600000 1.0000000
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G 1
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1 1.8800000 1.0000000
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G 1
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1 24.9730000 1.0000000
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G 1
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1 0.8090000 1.0000000
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H 1
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1 3.7760000 1.0000000
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H 1
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1 1.6280000 1.0000000
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|
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ALUMINUM
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S 11
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1 3269000.0000000 0.213962E-05
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2 489400.0000000 0.166264E-04
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3 111400.0000000 0.875168E-04
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4 31560.0000000 0.368990E-03
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5 10320.0000000 0.133903E-02
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6 3731.0000000 0.435636E-02
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7 1456.0000000 0.128955E-01
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8 604.1000000 0.348201E-01
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9 263.5000000 0.843530E-01
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10 119.8000000 0.175907E+00
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11 56.3200000 0.292091E+00
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S 11
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1 3269000.0000000 -0.556026E-06
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2 489400.0000000 -0.432303E-05
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|
3 111400.0000000 -0.227413E-04
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4 31560.0000000 -0.960116E-04
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5 10320.0000000 -0.348376E-03
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6 3731.0000000 -0.113836E-02
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7 1456.0000000 -0.338744E-02
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8 604.1000000 -0.931505E-02
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9 263.5000000 -0.233023E-01
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10 119.8000000 -0.523486E-01
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|
11 56.3200000 -0.999499E-01
|
|
S 1
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|
1 27.1900000 1.0000000
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S 1
|
|
1 13.2600000 1.0000000
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S 1
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|
1 6.0520000 1.0000000
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S 1
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1 2.9810000 1.0000000
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S 1
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|
1 1.4760000 1.0000000
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S 1
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|
1 0.7334000 1.0000000
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S 1
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|
1 0.2447000 1.0000000
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S 1
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1 0.1088000 1.0000000
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S 1
|
|
1 0.0467200 1.0000000
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|
S 1
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|
1 0.0177000 1.0000000
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P 3
|
|
1 1461.0000000 0.208613E-03
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|
2 346.2000000 0.181005E-02
|
|
3 112.2000000 0.973433E-02
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|
P 1
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|
1 42.5100000 1.0000000
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P 1
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1 17.7200000 1.0000000
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P 1
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1 7.8520000 1.0000000
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P 1
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1 3.5710000 1.0000000
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P 1
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1 1.6370000 1.0000000
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P 1
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1 0.7382000 1.0000000
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P 1
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1 0.2577000 1.0000000
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P 1
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1 0.0977300 1.0000000
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P 1
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1 0.0369000 1.0000000
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P 1
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1 0.0115000 1.0000000
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D 1
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1 1.3170000 1.0000000
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D 1
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1 0.5260000 1.0000000
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D 1
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1 0.2100000 1.0000000
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D 1
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1 0.0840000 1.0000000
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D 1
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1 2.5890000 1.0000000
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D 1
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1 5.4360000 1.0000000
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D 1
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1 11.4150000 1.0000000
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D 1
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1 23.9730000 1.0000000
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D 1
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1 0.0294000 1.0000000
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F 1
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1 0.1300000 1.0000000
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F 1
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1 0.2580000 1.0000000
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F 1
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1 0.5130000 1.0000000
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F 1
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1 1.5020000 1.0000000
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F 1
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1 3.9740000 1.0000000
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F 1
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1 10.5130000 1.0000000
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F 1
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1 0.0509000 1.0000000
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G 1
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1 0.2520000 1.0000000
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G 1
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1 0.5430000 1.0000000
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G 1
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1 1.7460000 1.0000000
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G 1
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1 9.0060000 1.0000000
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G 1
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1 0.1069000 1.0000000
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H 1
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1 0.4460000 1.0000000
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H 1
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|
1 1.8300000 1.0000000
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H 1
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|
1 0.2270000 1.0000000
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|
|
|
SILICON
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|
S 11
|
|
1 3948000.0000000 0.203712E-05
|
|
2 591100.0000000 0.158394E-04
|
|
3 134500.0000000 0.833590E-04
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|
4 38120.0000000 0.351361E-03
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5 12460.0000000 0.127660E-02
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6 4504.0000000 0.415191E-02
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7 1758.0000000 0.123030E-01
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8 729.1000000 0.333102E-01
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9 318.0000000 0.809845E-01
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10 144.6000000 0.170290E+00
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|
11 67.9700000 0.286879E+00
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S 11
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|
1 3948000.0000000 -0.542085E-06
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|
2 591100.0000000 -0.421677E-05
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|
3 134500.0000000 -0.221813E-04
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4 38120.0000000 -0.936028E-04
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|
5 12460.0000000 -0.340116E-03
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|
6 4504.0000000 -0.111061E-02
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|
7 1758.0000000 -0.330878E-02
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|
8 729.1000000 -0.911602E-02
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|
9 318.0000000 -0.228790E-01
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|
10 144.6000000 -0.517119E-01
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|
11 67.9700000 -0.999091E-01
|
|
S 1
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|
1 32.8200000 1.0000000
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|
S 1
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|
1 16.0300000 1.0000000
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|
S 1
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|
1 7.3960000 1.0000000
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|
S 1
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|
1 3.6610000 1.0000000
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S 1
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|
1 1.8230000 1.0000000
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|
S 1
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|
1 0.9147000 1.0000000
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|
S 1
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|
1 0.3393000 1.0000000
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S 1
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1 0.1500000 1.0000000
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|
S 1
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|
1 0.0643800 1.0000000
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|
S 1
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|
1 0.0260000 1.0000000
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|
P 3
|
|
1 1780.0000000 0.201206E-03
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|
2 421.8000000 0.174937E-02
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|
3 136.7000000 0.948141E-02
|
|
P 1
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1 51.8100000 1.0000000
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P 1
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1 21.6000000 1.0000000
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|
P 1
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1 9.5630000 1.0000000
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|
P 1
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1 4.3500000 1.0000000
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|
P 1
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1 2.0060000 1.0000000
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P 1
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1 0.9205000 1.0000000
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P 1
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1 0.3500000 1.0000000
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P 1
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1 0.1381000 1.0000000
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P 1
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1 0.0533800 1.0000000
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P 1
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1 0.0192000 1.0000000
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D 1
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1 0.1260000 1.0000000
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D 1
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1 0.3210000 1.0000000
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D 1
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1 0.8170000 1.0000000
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D 1
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1 2.0820000 1.0000000
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D 1
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1 2.7340000 1.0000000
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D 1
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1 6.0570000 1.0000000
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D 1
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1 13.4200000 1.0000000
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D 1
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1 29.7320000 1.0000000
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D 1
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1 0.0468000 1.0000000
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F 1
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1 0.1690000 1.0000000
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F 1
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1 0.3410000 1.0000000
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F 1
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1 0.6880000 1.0000000
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F 1
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1 1.9450000 1.0000000
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F 1
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1 5.1010000 1.0000000
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|
F 1
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1 13.3810000 1.0000000
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F 1
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1 0.0735000 1.0000000
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G 1
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1 0.3200000 1.0000000
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G 1
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1 0.7050000 1.0000000
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G 1
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1 2.1610000 1.0000000
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G 1
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1 11.4350000 1.0000000
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G 1
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1 0.1510000 1.0000000
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H 1
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1 0.5830000 1.0000000
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H 1
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1 2.2250000 1.0000000
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H 1
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1 0.3230000 1.0000000
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|
|
|
PHOSPHORUS
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|
S 11
|
|
1 4666000.0000000 0.196759E-05
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|
2 698600.0000000 0.152963E-04
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|
3 159000.0000000 0.804826E-04
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4 45040.0000000 0.339737E-03
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5 14720.0000000 0.123291E-02
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6 5323.0000000 0.401345E-02
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7 2076.0000000 0.119124E-01
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8 861.1000000 0.322511E-01
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9 375.7000000 0.786643E-01
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10 170.8000000 0.166458E+00
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11 80.2900000 0.283039E+00
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|
S 11
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|
1 4666000.0000000 -0.534153E-06
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2 698600.0000000 -0.415422E-05
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|
3 159000.0000000 -0.218484E-04
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|
4 45040.0000000 -0.923272E-04
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5 14720.0000000 -0.335109E-03
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6 5323.0000000 -0.109508E-02
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7 2076.0000000 -0.326798E-02
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|
8 861.1000000 -0.899951E-02
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|
9 375.7000000 -0.226528E-01
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|
10 170.8000000 -0.514650E-01
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|
11 80.2900000 -0.100186E+00
|
|
S 1
|
|
1 38.7700000 1.0000000
|
|
S 1
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|
1 18.9300000 1.0000000
|
|
S 1
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|
1 8.7960000 1.0000000
|
|
S 1
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|
1 4.3580000 1.0000000
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|
S 1
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|
1 2.1740000 1.0000000
|
|
S 1
|
|
1 1.0950000 1.0000000
|
|
S 1
|
|
1 0.4400000 1.0000000
|
|
S 1
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|
1 0.1945000 1.0000000
|
|
S 1
|
|
1 0.0837600 1.0000000
|
|
S 1
|
|
1 0.0335000 1.0000000
|
|
P 3
|
|
1 2010.0000000 0.215915E-03
|
|
2 476.3000000 0.187536E-02
|
|
3 154.4000000 0.101742E-01
|
|
P 1
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1 58.5100000 1.0000000
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|
P 1
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1 24.4000000 1.0000000
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|
P 1
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1 10.8000000 1.0000000
|
|
P 1
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1 4.9130000 1.0000000
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|
P 1
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1 2.2690000 1.0000000
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|
P 1
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1 1.0430000 1.0000000
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|
P 1
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1 0.4313000 1.0000000
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P 1
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1 0.1767000 1.0000000
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|
P 1
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1 0.0700900 1.0000000
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P 1
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1 0.0253000 1.0000000
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D 1
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1 0.1660000 1.0000000
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D 1
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1 0.4180000 1.0000000
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D 1
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1 1.0540000 1.0000000
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D 1
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1 2.6560000 1.0000000
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D 1
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1 3.5350000 1.0000000
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D 1
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1 7.7590000 1.0000000
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D 1
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1 17.0310000 1.0000000
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D 1
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1 37.3860000 1.0000000
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D 1
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F 1
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1 0.2190000 1.0000000
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F 1
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1 0.4500000 1.0000000
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F 1
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1 0.9230000 1.0000000
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F 1
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1 2.5040000 1.0000000
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F 1
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1 6.5270000 1.0000000
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F 1
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1 17.0100000 1.0000000
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F 1
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1 0.0950000 1.0000000
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G 1
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1 0.4120000 1.0000000
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G 1
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1 0.9030000 1.0000000
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G 1
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1 2.6540000 1.0000000
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G 1
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1 14.1340000 1.0000000
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G 1
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1 0.1840000 1.0000000
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H 1
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1 0.7450000 1.0000000
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|
H 1
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1 2.7040000 1.0000000
|
|
H 1
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|
1 0.3720000 1.0000000
|
|
|
|
SULFUR
|
|
S 11
|
|
1 5481000.0000000 0.189338E-05
|
|
2 820600.0000000 0.147211E-04
|
|
3 186700.0000000 0.775084E-04
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|
4 52880.0000000 0.327224E-03
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|
5 17250.0000000 0.119365E-02
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|
6 6226.0000000 0.388393E-02
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7 2429.0000000 0.115336E-01
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8 1007.0000000 0.312748E-01
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|
9 439.5000000 0.764387E-01
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|
10 199.8000000 0.162700E+00
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|
11 93.9200000 0.279328E+00
|
|
S 11
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|
1 5481000.0000000 -0.522912E-06
|
|
2 820600.0000000 -0.406690E-05
|
|
3 186700.0000000 -0.214065E-04
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|
4 52880.0000000 -0.904540E-04
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5 17250.0000000 -0.330080E-03
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|
6 6226.0000000 -0.107782E-02
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|
7 2429.0000000 -0.321874E-02
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|
8 1007.0000000 -0.887217E-02
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|
9 439.5000000 -0.223771E-01
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|
10 199.8000000 -0.510577E-01
|
|
11 93.9200000 -0.100225E+00
|
|
S 1
|
|
1 45.3400000 1.0000000
|
|
S 1
|
|
1 22.1500000 1.0000000
|
|
S 1
|
|
1 10.3400000 1.0000000
|
|
S 1
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|
1 5.1190000 1.0000000
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|
S 1
|
|
1 2.5530000 1.0000000
|
|
S 1
|
|
1 1.2820000 1.0000000
|
|
S 1
|
|
1 0.5450000 1.0000000
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|
S 1
|
|
1 0.2411000 1.0000000
|
|
S 1
|
|
1 0.1035000 1.0000000
|
|
S 1
|
|
1 0.0420000 1.0000000
|
|
P 3
|
|
1 2200.0000000 0.239049E-03
|
|
2 521.4000000 0.207686E-02
|
|
3 169.0000000 0.112363E-01
|
|
P 1
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|
1 64.0500000 1.0000000
|
|
P 1
|
|
1 26.7200000 1.0000000
|
|
P 1
|
|
1 11.8300000 1.0000000
|
|
P 1
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|
1 5.3780000 1.0000000
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|
P 1
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|
1 2.4820000 1.0000000
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|
P 1
|
|
1 1.1160000 1.0000000
|
|
P 1
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|
1 0.4848000 1.0000000
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|
P 1
|
|
1 0.2006000 1.0000000
|
|
P 1
|
|
1 0.0795100 1.0000000
|
|
P 1
|
|
1 0.0294000 1.0000000
|
|
D 1
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|
1 0.2050000 1.0000000
|
|
D 1
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|
1 0.5120000 1.0000000
|
|
D 1
|
|
1 1.2810000 1.0000000
|
|
D 1
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|
1 3.2030000 1.0000000
|
|
D 1
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|
1 4.4900000 1.0000000
|
|
D 1
|
|
1 9.7130000 1.0000000
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|
D 1
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|
1 21.0130000 1.0000000
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|
D 1
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|
1 45.4580000 1.0000000
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|
D 1
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|
1 0.0794000 1.0000000
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|
F 1
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|
1 0.2550000 1.0000000
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|
F 1
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|
1 0.5290000 1.0000000
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|
F 1
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|
1 1.0960000 1.0000000
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|
F 1
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|
1 2.9980000 1.0000000
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F 1
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1 7.8370000 1.0000000
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|
F 1
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1 20.4850000 1.0000000
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F 1
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1 0.1188000 1.0000000
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G 1
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1 0.4630000 1.0000000
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G 1
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1 1.0710000 1.0000000
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G 1
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1 3.1540000 1.0000000
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G 1
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1 17.1010000 1.0000000
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G 1
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1 0.2200000 1.0000000
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H 1
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1 0.8720000 1.0000000
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H 1
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|
1 3.2310000 1.0000000
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|
H 1
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|
1 0.4720000 1.0000000
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|
|
|
CHLORINE
|
|
S 11
|
|
1 6410000.0000000 0.181350E-05
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|
2 959600.0000000 0.141118E-04
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|
3 218300.0000000 0.742406E-04
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|
4 61810.0000000 0.314131E-03
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|
5 20140.0000000 0.114642E-02
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|
6 7264.0000000 0.373888E-02
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|
7 2832.0000000 0.110946E-01
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|
8 1175.0000000 0.301152E-01
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|
9 512.6000000 0.739145E-01
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|
10 233.0000000 0.158258E+00
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|
11 109.5000000 0.274753E+00
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|
S 11
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|
1 6410000.0000000 -0.508303E-06
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|
2 959600.0000000 -0.395633E-05
|
|
3 218300.0000000 -0.208095E-04
|
|
4 61810.0000000 -0.881175E-04
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|
5 20140.0000000 -0.321742E-03
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|
6 7264.0000000 -0.105277E-02
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|
7 2832.0000000 -0.314183E-02
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|
8 1175.0000000 -0.866363E-02
|
|
9 512.6000000 -0.219353E-01
|
|
10 233.0000000 -0.502584E-01
|
|
11 109.5000000 -0.995414E-01
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S 1
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1 52.8600000 1.0000000
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1 3.0120000 1.0000000
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1 1.5110000 1.0000000
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1 0.6604000 1.0000000
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P 3
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1 2548.0000000 0.235702E-03
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2 603.7000000 0.205158E-02
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3 195.6000000 0.111543E-01
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|
9 592.0000000 -0.02152008
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|
10 269.1000000 -0.04944932
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|
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|
S 1
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1 61.0300000 1.0000000
|
|
S 1
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|
1 29.8600000 1.0000000
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|
S 1
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|
1 14.1700000 1.0000000
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S 1
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|
1 7.0220000 1.0000000
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S 1
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|
1 3.5110000 1.0000000
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S 1
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|
1 1.7580000 1.0000000
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S 1
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|
1 0.7841000 1.0000000
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|
1 0.3480000 1.0000000
|
|
S 1
|
|
1 0.1491000 1.0000000
|
|
S 1
|
|
1 0.0538000 1.0000000
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P 3
|
|
1 2927.0000000 0.00023199
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|
2 693.5000000 0.00202329
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|
3 224.7000000 0.01103401
|
|
P 1
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|
1 85.1700000 1.0000000
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|
P 1
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|
1 35.5300000 1.0000000
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P 1
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|
1 15.7300000 1.0000000
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P 1
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|
1 7.1650000 1.0000000
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P 1
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|
1 3.3220000 1.0000000
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P 1
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|
1 1.4780000 1.0000000
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P 1
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|
1 0.6552000 1.0000000
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P 1
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|
1 0.2751000 1.0000000
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|
1 0.1097000 1.0000000
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P 1
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|
1 0.0402000 1.0000000
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D 1
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|
1 0.3090000 1.0000000
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1 0.7700000 1.0000000
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1 1.9170000 1.0000000
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1 4.7760000 1.0000000
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1 6.2510000 1.0000000
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|
1 13.5750000 1.0000000
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1 29.4820000 1.0000000
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|
1 64.0290000 1.0000000
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D 1
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1 0.1210000 1.0000000
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1 0.4080000 1.0000000
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1 0.8250000 1.0000000
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1 1.6680000 1.0000000
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1 4.4170000 1.0000000
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1 11.4600000 1.0000000
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1 29.7360000 1.0000000
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F 1
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