mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-09 15:03:37 +01:00
710 lines
22 KiB
Plaintext
710 lines
22 KiB
Plaintext
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ALUMINUM
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S 11
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1 3269000.0000000 0.0000021
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2 489400.0000000 0.0000166
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3 111400.0000000 0.0000875
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4 31560.0000000 0.0003690
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5 10320.0000000 0.0013390
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6 3731.0000000 0.0043564
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7 1456.0000000 0.0128955
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8 604.1000000 0.0348201
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9 263.5000000 0.0843530
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S 11
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1 3269000.0000000 -0.0000006
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2 489400.0000000 -0.0000043
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3 111400.0000000 -0.0000227
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4 31560.0000000 -0.0000960
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6 3731.0000000 -0.0011384
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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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S 1
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P 3
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2 346.2000000 0.0018101
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3 112.2000000 0.0097343
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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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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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D 1
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D 1
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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 30.2400000 1.0000000
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D 1
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1 14.2490000 1.0000000
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D 1
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1 6.7142000 1.0000000
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D 1
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1 3.1630000 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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F 1
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F 1
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F 1
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1 15.6410000 1.0000000
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F 1
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F 1
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1 2.7240000 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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G 1
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G 1
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G 1
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G 1
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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 8.5080000 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
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1 3948000.0000000 0.0000020
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2 591100.0000000 0.0000158
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3 134500.0000000 0.0000834
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4 38120.0000000 0.0003514
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7 1758.0000000 0.0123030
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8 729.1000000 0.0333102
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9 318.0000000 0.0809845
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10 144.6000000 0.1702900
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S 11
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1 3948000.0000000 -0.0000005
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2 591100.0000000 -0.0000042
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3 134500.0000000 -0.0000222
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4 38120.0000000 -0.0000936
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5 12460.0000000 -0.0003401
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6 4504.0000000 -0.0011106
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7 1758.0000000 -0.0033088
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9 318.0000000 -0.0228790
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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
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1 1780.0000000 0.0002012
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2 421.8000000 0.0017494
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3 136.7000000 0.0094814
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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 39.9340000 1.0000000
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D 1
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1 19.4830000 1.0000000
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D 1
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1 9.5050000 1.0000000
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D 1
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1 4.6380000 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 18.9640000 1.0000000
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F 1
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F 1
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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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G 1
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G 1
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H 1
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H 1
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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
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1 4666000.0000000 0.0000020
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2 698600.0000000 0.0000153
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3 159000.0000000 0.0000805
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4 45040.0000000 0.0003397
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5 14720.0000000 0.0012329
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6 5323.0000000 0.0040135
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7 2076.0000000 0.0119124
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8 861.1000000 0.0322511
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9 375.7000000 0.0786643
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10 170.8000000 0.1664580
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11 80.2900000 0.2830390
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S 11
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1 4666000.0000000 -0.0000005
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2 698600.0000000 -0.0000042
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3 159000.0000000 -0.0000218
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4 45040.0000000 -0.0000923
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5 14720.0000000 -0.0003351
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6 5323.0000000 -0.0010951
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S 1
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1 38.7700000 1.0000000
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S 1
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1 18.9300000 1.0000000
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S 1
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1 8.7960000 1.0000000
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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
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S 1
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1 1.0950000 1.0000000
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S 1
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S 1
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S 1
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1 0.0837600 1.0000000
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S 1
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1 0.0335000 1.0000000
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P 3
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1 2010.0000000 0.0002159
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2 476.3000000 0.0018754
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3 154.4000000 0.0101742
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P 1
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1 58.5100000 1.0000000
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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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P 1
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P 1
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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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D 1
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D 1
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1 23.8780000 1.0000000
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D 1
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D 1
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1 5.7920000 1.0000000
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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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F 1
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1 4.0910000 1.0000000
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F 1
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G 1
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G 1
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G 1
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G 1
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G 1
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H 1
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H 1
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H 1
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1 0.3720000 1.0000000
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SULFUR
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S 11
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1 5481000.0000000 0.0000019
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2 820600.0000000 0.0000147
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3 186700.0000000 0.0000775
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4 52880.0000000 0.0003272
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5 17250.0000000 0.0011937
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S 11
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1 5481000.0000000 -0.0000005
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2 820600.0000000 -0.0000041
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3 186700.0000000 -0.0000214
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4 52880.0000000 -0.0000905
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9 439.5000000 -0.0223771
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10 199.8000000 -0.0510577
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S 1
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1 45.3400000 1.0000000
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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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D 1
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D 1
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D 1
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D 1
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D 1
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D 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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1 1.0960000 1.0000000
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F 1
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1 26.3820000 1.0000000
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F 1
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1 11.0720000 1.0000000
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F 1
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F 1
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G 1
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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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G 1
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G 1
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H 1
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H 1
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H 1
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1 0.4720000 1.0000000
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CHLORINE
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S 11
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1 6410000.0000000 0.0000018
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2 959600.0000000 0.0000141
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