mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-03 12:43:52 +01:00
708 lines
22 KiB
Plaintext
708 lines
22 KiB
Plaintext
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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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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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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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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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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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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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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H 1
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H 1
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H 1
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SILICON
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S 11
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2 591100.0000000 0.0000158
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8 729.1000000 0.0333102
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9 318.0000000 0.0809845
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S 11
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3 134500.0000000 -0.0000222
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4 38120.0000000 -0.0000936
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6 4504.0000000 -0.0011106
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9 318.0000000 -0.0228790
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S 1
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S 1
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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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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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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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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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1 19.4830000 1.0000000
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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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F 1
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F 1
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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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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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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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5 14720.0000000 0.0012329
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S 11
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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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6 5323.0000000 -0.0010951
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S 1
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S 1
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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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1 24.4000000 1.0000000
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P 1
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1 10.8000000 1.0000000
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P 1
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P 1
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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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P 1
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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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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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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 0.9230000 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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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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SULFUR
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S 11
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S 11
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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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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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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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F 1
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F 1
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F 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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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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3 218300.0000000 0.0000742
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4 61810.0000000 0.0003141
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5 20140.0000000 0.0011464
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6 7264.0000000 0.0037389
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8 1175.0000000 0.0301152
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10 233.0000000 0.1582580
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S 11
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1 6410000.0000000 -0.0000005
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4 61810.0000000 -0.0000881
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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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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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F 1
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G 1
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G 1
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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
|