mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-23 21:03:49 +01:00
427 lines
13 KiB
Plaintext
427 lines
13 KiB
Plaintext
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BORON
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S 6
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1 2788.4100000 0.0021220
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2 419.0390000 0.0161710
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3 96.4683000 0.0783560
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4 28.0694000 0.2632500
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5 9.3760000 0.5967290
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6 1.3057000 0.2303970
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S 1
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1 3.4062000 1.0000000
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S 1
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1 0.3245000 1.0000000
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S 1
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1 0.1022000 1.0000000
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S 1
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1 0.0190000 1.0000000
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S 1
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1 0.0047000 1.0000000
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P 4
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1 11.3413000 0.0179870
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2 2.4360000 0.1103390
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3 0.6836000 0.3831110
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4 0.2134000 0.6478600
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P 1
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1 0.0701000 1.0000000
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P 1
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1 0.0150000 1.0000000
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P 1
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1 0.0041000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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CARBON
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S 6
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1 4232.6100000 0.0020290
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2 634.8820000 0.0155350
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3 146.0970000 0.0754110
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4 42.4974000 0.2571210
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5 14.1892000 0.5965550
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6 1.9666000 0.2425170
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S 1
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1 5.1477000 1.0000000
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S 1
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1 0.4962000 1.0000000
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S 1
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1 0.1533000 1.0000000
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S 1
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1 0.0230000 1.0000000
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S 1
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1 0.0055000 1.0000000
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P 4
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1 18.1557000 0.0185340
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2 3.9864000 0.1154420
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3 1.1429000 0.3862060
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4 0.3594000 0.6400890
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P 1
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1 0.1146000 1.0000000
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P 1
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1 0.0210000 1.0000000
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P 1
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1 0.0049000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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NITROGEN
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S 6
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1 5909.4400000 0.0020040
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2 887.4510000 0.0153100
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3 204.7490000 0.0742930
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4 59.8376000 0.2533640
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5 19.9981000 0.6005760
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6 2.6860000 0.2451110
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S 1
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1 7.1927000 1.0000000
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S 1
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1 0.7000000 1.0000000
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S 1
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1 0.2133000 1.0000000
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S 1
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1 0.0280000 1.0000000
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S 1
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1 0.0066000 1.0000000
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P 4
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1 26.7860000 0.0182570
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2 5.9564000 0.1164070
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3 1.7074000 0.3901110
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4 0.5314000 0.6372210
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P 1
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1 0.1654000 1.0000000
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P 1
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1 0.0250000 1.0000000
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P 1
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1 0.0051000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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OXYGEN
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S 6
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1 7816.5400000 0.0020310
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2 1175.8200000 0.0154360
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3 273.1880000 0.0737710
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4 81.1696000 0.2476060
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5 27.1836000 0.6118320
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6 3.4136000 0.2412050
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S 1
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1 9.5322000 1.0000000
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S 1
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1 0.9398000 1.0000000
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S 1
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1 0.2846000 1.0000000
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S 1
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1 0.0320000 1.0000000
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S 1
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1 0.0066000 1.0000000
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P 4
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1 35.1832000 0.0195800
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2 7.9040000 0.1241890
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3 2.3051000 0.3947270
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4 0.7171000 0.6273750
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P 1
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1 0.2137000 1.0000000
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P 1
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1 0.0280000 1.0000000
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P 1
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1 0.0054000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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FLUORINE
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S 6
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1 9994.7900000 0.0020170
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2 1506.0300000 0.0152950
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3 350.2690000 0.0731100
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4 104.0530000 0.2464200
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5 34.8432000 0.6125930
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6 4.3688000 0.2424890
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S 1
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1 12.2164000 1.0000000
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S 1
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1 1.2078000 1.0000000
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S 1
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1 0.3634000 1.0000000
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S 1
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1 0.0360000 1.0000000
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S 1
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1 0.0066000 1.0000000
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P 4
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1 44.3555000 0.0208680
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2 10.0820000 0.1300920
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3 2.9959000 0.3962190
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4 0.9383000 0.6203680
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P 1
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1 0.2733000 1.0000000
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P 1
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1 0.0290000 1.0000000
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P 1
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1 0.0054000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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NEON
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S 7
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1 12100.0000000 0.0012000
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2 1821.0000000 0.0090920
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3 432.8000000 0.0413050
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4 132.5000000 0.1378670
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5 43.7700000 0.3624330
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6 14.9100000 0.4722470
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7 5.1270000 0.1300350
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S 1
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1 14.9100000 1.0000000
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S 1
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1 1.4910000 1.0000000
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S 1
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1 0.4468000 1.0000000
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S 1
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1 0.0400000 1.0000000
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S 1
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1 0.0066000 1.0000000
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P 4
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1 56.4500000 0.0208750
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2 12.9200000 0.1300320
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3 3.8650000 0.3956790
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4 1.2030000 0.6214500
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P 1
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1 0.3444000 1.0000000
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P 1
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1 0.0300000 1.0000000
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P 1
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1 0.0054000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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ALUMINUM
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S 5
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1 23490.0000000 0.0025090
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2 3548.0000000 0.0189860
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3 823.5000000 0.0929140
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4 237.7000000 0.3359350
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5 78.6000000 0.6473910
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S 3
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1 78.6000000 0.1119370
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2 29.0500000 0.6559760
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3 11.6200000 0.2833490
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S 1
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1 3.4650000 1.0000000
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S 1
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1 1.2330000 1.0000000
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S 1
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1 0.2018000 1.0000000
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S 1
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1 0.0780500 1.0000000
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S 1
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1 0.0140000 1.0000000
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S 1
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1 0.0035000 1.0000000
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P 4
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1 141.5000000 0.0178820
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2 33.2200000 0.1203750
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3 10.3900000 0.4115800
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4 3.5930000 0.5953530
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P 2
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1 3.5930000 0.2117580
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2 1.2420000 0.8377950
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P 1
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1 0.3040000 1.0000000
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P 1
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1 0.0762900 1.0000000
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P 1
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1 0.0110000 1.0000000
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P 1
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1 0.0030000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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SILICON
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S 5
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1 26740.0000000 0.0025830
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2 4076.0000000 0.0192370
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3 953.3000000 0.0938430
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4 274.6000000 0.3412350
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5 90.6800000 0.6416750
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S 3
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1 90.6800000 0.1214390
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2 33.5300000 0.6531430
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3 13.4600000 0.2776240
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S 1
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1 4.0510000 1.0000000
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S 1
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1 1.4840000 1.0000000
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S 1
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1 0.2704000 1.0000000
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S 1
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1 0.0993200 1.0000000
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S 1
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1 0.0170000 1.0000000
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S 1
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1 0.0041000 1.0000000
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P 4
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1 163.7000000 0.0114980
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2 38.3500000 0.0777260
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3 12.0200000 0.2635950
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4 4.1850000 0.7582690
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P 2
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1 4.1850000 -1.1730450
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2 1.4830000 1.4383350
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P 1
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1 0.3350000 1.0000000
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P 1
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1 0.0969900 1.0000000
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P 1
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1 0.0140000 1.0000000
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P 1
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1 0.0033000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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PHOSPHORUS
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S 5
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1 30630.0000000 0.0026190
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2 4684.0000000 0.0194790
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3 1094.0000000 0.0952070
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4 315.3000000 0.3457420
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5 104.1000000 0.6362880
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S 3
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1 104.1000000 0.1307060
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2 38.4200000 0.6502740
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3 15.4500000 0.2723080
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S 1
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1 4.6560000 1.0000000
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S 1
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1 1.7590000 1.0000000
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S 1
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1 0.3409000 1.0000000
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S 1
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1 0.1238000 1.0000000
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S 1
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1 0.0200000 1.0000000
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S 1
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1 0.0047000 1.0000000
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P 4
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1 187.7000000 0.0131580
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2 43.6300000 0.0904940
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3 13.6000000 0.3050540
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4 4.7660000 0.7135790
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P 2
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1 4.7660000 -0.7925730
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2 1.7430000 1.4299870
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P 1
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1 0.4192000 1.0000000
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P 1
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1 0.1245000 1.0000000
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P 1
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1 0.0170000 1.0000000
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P 1
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1 0.0035000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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SULFUR
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S 5
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1 35710.0000000 0.0025650
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2 5397.0000000 0.0194050
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3 1250.0000000 0.0955950
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4 359.9000000 0.3457930
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5 119.2000000 0.6357940
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S 3
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1 119.2000000 0.1300960
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2 43.9800000 0.6513010
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3 17.6300000 0.2719550
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S 1
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1 5.4200000 1.0000000
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S 1
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1 2.0740000 1.0000000
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S 1
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1 0.4246000 1.0000000
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S 1
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1 0.1519000 1.0000000
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S 1
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1 0.0230000 1.0000000
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S 1
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1 0.0047000 1.0000000
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P 4
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1 212.9000000 0.0140910
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2 49.6000000 0.0966850
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3 15.5200000 0.3238740
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4 5.4760000 0.6917560
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P 2
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1 5.4760000 -0.6267370
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2 2.0440000 1.3770510
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P 1
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1 0.5218000 1.0000000
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P 1
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1 0.1506000 1.0000000
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P 1
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1 0.0200000 1.0000000
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P 1
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1 0.0039000 1.0000000
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D 1
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1 0.0150000 1.0000000
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D 1
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1 0.0032000 1.0000000
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CHLORINE
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S 5
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1 40850.0000000 0.0025320
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2 6179.0000000 0.0192070
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3 1425.0000000 0.0952570
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4 409.2000000 0.3455890
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5 135.5000000 0.6364010
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S 3
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1 135.5000000 0.1209560
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2 50.1300000 0.6485110
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3 20.2100000 0.2754870
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S 1
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1 6.2830000 1.0000000
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S 1
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1 2.4600000 1.0000000
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S 1
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1 0.5271000 1.0000000
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S 1
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||
|
|
1 0.1884000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0250000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0046000 1.0000000
|
||
|
|
P 4
|
||
|
|
1 240.8000000 0.0145950
|
||
|
|
2 56.5600000 0.0990470
|
||
|
|
3 17.8500000 0.3305620
|
||
|
|
4 6.3500000 0.6828740
|
||
|
|
P 2
|
||
|
|
1 6.3500000 -0.5617850
|
||
|
|
2 2.4030000 1.3519010
|
||
|
|
P 1
|
||
|
|
1 0.6410000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1838000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0200000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0037000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0150000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0032000 1.0000000
|
||
|
|
|
||
|
|
|