mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-24 21:33:47 +01:00
255 lines
7.5 KiB
Plaintext
255 lines
7.5 KiB
Plaintext
HYDROGEN
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S 3
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1 18.7311370 0.0334946
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2 2.8253944 0.2347269
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3 0.6401217 0.8137573
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S 1
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1 0.1612778 1.0000000
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HELIUM
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S 3
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1 38.4216340 0.0237660
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2 5.7780300 0.1546790
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3 1.2417740 0.4696300
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S 1
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1 0.2979640 1.0000000
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LITHIUM
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S 5
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1 275.3944400 0.00612185
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2 41.4351750 0.04511296
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3 9.3669938 0.19269415
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4 2.5377253 0.46854421
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5 0.7466365 0.44060752
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S 2
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1 0.7345643 -0.2525368
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2 0.0871980 1.0973408
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P 2
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1 0.7345643 0.1435917
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2 0.0871980 0.9478030
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S 1
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1 0.0404387 1.0000000
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P 1
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1 0.0404387 1.0000000
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BERYLLIUM
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S 5
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1 554.0100000 0.00540997
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2 83.2631000 0.04025150
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3 18.8635000 0.17685800
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4 5.1778200 0.45255900
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5 1.5560200 0.47029300
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S 2
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1 1.4417525 -0.4774290
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2 0.3018611 1.2474500
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P 2
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1 1.4417525 0.2011420
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2 0.3018611 0.8844830
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S 1
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1 0.1009614 1.0000000
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P 1
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1 0.1009614 1.0000000
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BORON
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S 4
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1 330.7528500 0.0179942
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2 49.8438650 0.1246937
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3 11.1170540 0.4343354
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4 2.9227243 0.5609794
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S 3
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1 5.6812646 -0.1303871
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2 1.4544046 -0.2514344
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3 0.4283786 1.2051292
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P 3
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1 5.6812646 0.0637429
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2 1.4544046 0.2761331
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3 0.4283786 0.7773866
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S 1
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1 0.1442192 1.0000000
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P 1
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1 0.1442192 1.0000000
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CARBON
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S 4
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1 486.9669300 0.0177258
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2 73.3710940 0.1234787
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3 16.4134580 0.4338754
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4 4.3449836 0.5615042
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S 3
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1 8.6735253 -0.1213837
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2 2.0966193 -0.2273385
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3 0.6046513 1.1851739
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P 3
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1 8.6735253 0.0635454
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2 2.0966193 0.2982678
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3 0.6046513 0.7621032
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S 1
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1 0.1835578 1.0000000
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P 1
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1 0.1835578 1.0000000
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NITROGEN
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S 4
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1 671.2795000 0.0175982511
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2 101.2017000 0.1228462410
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3 22.6999700 0.4337821410
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4 6.0406090 0.5614182170
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S 3
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1 12.3935997 -0.1174893
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2 2.9223828 -0.2139940
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3 0.8325281 1.1745021
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P 3
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1 12.3935997 0.0640203
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2 2.9223828 0.3112026
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3 0.8325281 0.7527482
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S 1
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1 0.2259640 1.0000000
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P 1
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1 0.2259640 1.0000000
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OXYGEN
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S 4
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1 883.2728600 0.0175506
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2 133.1292800 0.1228292
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3 29.9064080 0.4348836
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4 7.9786772 0.5600108
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S 3
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1 16.1944470 -0.1134010
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2 3.7800860 -0.1772865
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3 1.0709836 1.1504079
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P 3
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1 16.1944470 0.0685453
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2 3.7800860 0.3312254
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3 1.0709836 0.7346079
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S 1
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1 0.2838798 1.0000000
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P 1
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1 0.2838798 1.0000000
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FLUORINE
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S 4
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1 1126.1630000 0.0174758
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2 169.7432000 0.1225230
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3 38.1815100 0.4349990
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4 10.2120400 0.5598120
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S 3
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1 21.4953700 -0.1110570
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2 4.9897780 -0.1683220
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3 1.4035740 1.1436260
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P 3
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1 21.4953700 0.0698880
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2 4.9897780 0.3393880
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3 1.4035740 0.7279590
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S 1
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1 0.3730318 1.0000000
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P 1
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1 0.3730318 1.0000000
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NEON
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S 4
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1 1397.9321000 0.017423805
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2 210.7697800 0.122272745
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3 47.4672570 0.435014232
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4 12.7226260 0.559714642
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S 3
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1 27.2130330 -0.1096094
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2 6.2941344 -0.1641249
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3 1.7600513 1.1401516
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P 3
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1 27.2130330 0.0704403
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2 6.2941344 0.3439930
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3 1.7600513 0.7245150
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S 1
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1 0.4618670 1.0000000
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P 1
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1 0.4618670 1.0000000
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PHOSPHORUS
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S 4
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1 3018.6718000 0.0185213137
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2 455.1271210 0.129904864
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3 102.3147300 0.455100288
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4 27.61784730 0.533131861
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S 4
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1 114.4294010 -0.0247503
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2 26.5822959 -0.1350925
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3 7.8718889 0.2277361
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4 2.4878572 0.8755931
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P 4
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1 114.4294010 0.0274140
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2 26.5822959 0.1690791
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3 7.8718889 0.4691021
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4 2.4878572 0.5181531
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S 3
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1 50.7506190 -0.0451192
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2 1.6728624 -0.8504730
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3 0.6210974 1.5962858
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P 3
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1 50.7506190 0.0037791
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2 1.6728624 -0.0463438
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3 0.6210974 1.0339443
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S 1
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1 0.1670160 1.0000000
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P 1
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1 0.1670160 1.0000000
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SULFUR
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S 4
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1 3442.1244000 0.0184921
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2 518.9131000 0.1298220
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3 116.6909000 0.4550418
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4 31.5716470 0.5330084
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S 4
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1 127.4405800 -0.0272646
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2 29.7476670 -0.1424834
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3 8.8346642 0.2597043
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4 2.8173898 0.8525473
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P 4
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1 127.4405800 0.0291520
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2 29.7476670 0.1779597
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3 8.8346642 0.4836237
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4 2.8173898 0.4942553
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S 3
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1 3.7291854 -0.2775315
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2 1.4067702 -0.4576435
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3 0.5481100 1.4316843
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P 3
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1 3.7291854 -0.0337509
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2 1.4067702 0.1457110
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3 0.5481100 0.8982887
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S 1
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1 0.1703809 1.0000000
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P 1
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1 0.1703809 1.0000000
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CHLORINE
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S 4
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1 3910.3026000 0.0183794
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2 589.5518000 0.1291401
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3 132.5939200 0.4540448
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4 35.9035420 0.5344394
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S 4
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1 147.7653500 -0.0267433
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2 34.5060750 -0.1446911
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3 10.2864710 0.2517035
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4 3.3111473 0.8598203
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P 4
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1 147.7653500 0.0288645
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2 34.5060750 0.1779647
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3 10.2864710 0.4869998
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4 3.3111473 0.4890184
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S 3
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1 4.2802849 -0.2703963
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2 1.6410167 -0.3416297
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3 0.6144785 1.3500245
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P 3
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1 4.2802849 -0.0367028
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2 1.6410167 0.1918492
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3 0.6144785 0.8643376
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S 1
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1 0.1956594 1.0000000
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P 1
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1 0.1956594 1.0000000
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