mirror of
https://github.com/pfloos/quack
synced 2024-11-18 12:03:59 +01:00
336 lines
9.3 KiB
Plaintext
336 lines
9.3 KiB
Plaintext
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HYDROGEN
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S 2
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1 4.50036231 0.15631167
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2 0.68128924 0.90466909
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S 1
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1 0.15137639 1.0000000
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HELIUM
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S 2
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1 13.62310172 0.17525420
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2 1.99894370 0.89346310
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S 1
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1 0.38294258 1.0000000
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LITHIUM
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S 3
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1 261.70980712 0.02718392
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2 39.38599444 0.19946919
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3 8.90009112 0.84471834
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S 2
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1 2.4055052 0.5668080
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2 0.7056404 0.4969321
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P 2
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1 2.4055052 -0.0003168
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2 0.7056404 1.0002034
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S 1
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1 0.0477987 1.0000000
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P 1
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1 0.0477987 1.0000000
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BERYLLIUM
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S 3
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1 503.79744442 0.02656239
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2 75.82361701 0.19608914
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3 17.18781371 0.84744314
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S 2
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1 4.7133022 0.5525236
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2 1.4188020 0.5089785
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P 2
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1 4.7133022 -0.0093932
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2 1.4188020 1.0061113
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S 1
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1 0.1045489 1.0000000
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P 1
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1 0.1045489 1.0000000
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BORON
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S 3
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1 338.23459961 0.03374414
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2 50.98058060 0.23775108
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3 11.39060370 0.81212145
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S 2
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1 0.5671686 0.2264994
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2 0.1423699 0.8250854
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P 2
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1 0.5671686 0.4391700
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2 0.1423699 0.6809589
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S 1
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1 3.0318278 1.0000000
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P 1
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1 3.0318278 1.0000000
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CARBON
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S 3
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1 499.24042249 0.03330322
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2 75.25419194 0.23617745
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3 16.86538669 0.81336259
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S 2
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1 0.8973948 0.2400857
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2 0.2174677 0.8160376
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P 2
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1 0.8973948 0.4621468
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2 0.2174677 0.6652910
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S 1
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1 4.5266045 1.0000000
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P 1
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1 4.5266045 1.0000000
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NITROGEN
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S 3
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1 693.92431602 0.03294106
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2 104.60302038 0.23480293
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3 23.49023698 0.81448223
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S 2
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1 1.2906896 0.2487678
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2 0.3074229 0.8099703
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P 2
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1 1.2906896 0.4766938
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2 0.3074229 0.6545521
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S 1
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1 6.3345667 1.0000000
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P 1
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1 6.3345667 1.0000000
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OXYGEN
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S 3
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1 910.10034975 0.03280967
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2 137.19711335 0.23422391
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3 30.85279077 0.81490980
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S 2
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1 1.7288589 0.2738966
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2 0.3995477 0.7911244
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P 2
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1 1.7288589 0.4815575
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2 0.3995477 0.6544786
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S 1
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1 8.3506598 1.0000000
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P 1
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1 8.3506598 1.0000000
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FLUORINE
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S 3
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1 1162.26781448 0.03263225
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2 175.21411023 0.23347259
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3 39.44340117 0.81551836
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S 2
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1 0.5074697 0.7810006
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2 2.2356275 0.2875295
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P 2
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1 0.5074697 0.6514899
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2 2.2356275 0.4876855
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S 1
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1 10.6990817 1.0000000
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P 1
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1 10.6990817 1.0000000
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NEON
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S 3
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1 1451.46006052 0.03243674
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2 218.80907282 0.23265762
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3 49.29660639 0.81620225
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S 2
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1 0.6313923 0.7759737
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2 2.8144747 0.2945506
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P 2
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1 0.6313923 0.6484726
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2 2.8144747 0.4928525
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S 1
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1 13.3889540 1.0000000
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P 1
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1 13.3889540 1.0000000
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SODIUM
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S 3
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1 7320.01017255 0.02330366
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2 1099.21475690 0.17562017
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3 248.47102766 0.86488331
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S 3
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1 68.1051728 0.3540283
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2 20.8661276 0.5735751
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3 6.4946014 0.1673502
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P 3
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1 68.1051728 0.0462077
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2 20.8661276 0.2134710
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3 6.4946014 0.8276304
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S 2
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1 2.0250827 0.5518979
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2 0.6063515 0.5101106
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P 2
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1 2.0250827 0.6104457
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2 0.6063515 0.4887760
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S 1
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1 0.0420443 1.0000000
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P 1
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1 0.0420443 1.0000000
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MAGNESIUM
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S 3
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1 9468.12001271 0.02306231
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2 1421.53310401 0.17358024
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3 321.28960847 0.86656933
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S 3
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1 88.0806445 0.3278306
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2 27.0170116 0.5707361
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3 8.5871857 0.1985993
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P 3
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1 88.0806445 0.0456736
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2 27.0170116 0.2108545
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3 8.5871857 0.8281090
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S 2
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1 2.7439323 0.4841054
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2 0.8579011 0.5735537
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P 2
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1 2.7439323 0.6090629
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2 0.8579011 0.4838957
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S 1
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1 0.0720620 1.0000000
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P 1
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1 0.0720620 1.0000000
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ALUMINUM
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S 3
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1 11793.72923854 0.02289401
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2 1770.45604036 0.17213922
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3 400.06339907 0.86776492
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S 3
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1 109.6400702 0.3105346
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2 33.6478488 0.5666240
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3 10.8373747 0.2211995
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P 3
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1 109.6400702 0.0451815
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2 33.6478488 0.2092805
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3 10.8373747 0.8284277
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S 2
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1 3.5254310 0.4406920
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2 1.1426148 0.6125828
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P 2
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1 3.5254310 0.6117759
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2 1.1426148 0.4758892
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S 1
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1 0.1132940 1.0000000
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P 1
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1 0.1132940 1.0000000
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SILICON
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S 3
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1 13955.62828382 0.02280973
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2 2094.81304780 0.17143469
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3 473.12990622 0.86836878
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S 3
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1 129.4740398 0.3061627
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2 39.6916235 0.5663350
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3 12.8265855 0.2259984
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P 3
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1 129.4740398 0.0228097
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2 39.6916235 0.2097172
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3 12.8265855 0.8279136
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S 2
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1 4.2220107 0.4376679
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2 1.4174756 0.6125188
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P 2
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1 4.2220107 0.6281427
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2 1.4174756 0.4536954
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S 1
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1 0.1638884 1.0000000
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P 1
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1 0.1638884 1.0000000
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PHOSPHORUS
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S 3
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1 15151.94544206 0.02286522
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2 2274.34114677 0.17211413
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3 513.08292993 0.86787870
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S 3
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1 139.8203604 0.3270060
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2 42.6622982 0.5743894
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3 13.5916282 0.1952971
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P 3
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1 139.8203604 0.0228652
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2 42.6622982 0.2145737
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3 13.5916282 0.8251566
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S 2
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1 4.4731734 0.5288481
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2 1.5583886 0.5196746
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P 2
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1 4.4731734 0.6843779
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2 1.5583886 0.3881232
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S 1
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1 0.2203438 1.0000000
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P 1
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1 0.2203438 1.0000000
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SULFUR
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S 3
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1 12715.98885260 0.02351515
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2 1909.10567091 0.17838697
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3 429.10047704 0.86294128
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S 3
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1 115.2856604 0.4539866
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2 34.5442995 0.5613456
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3 10.4321074 0.0647941
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P 3
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1 115.2856604 0.0508694
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2 34.5442995 0.2501660
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3 10.4321074 0.7988686
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S 2
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1 0.7834588 0.1604044
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2 0.2143250 0.8748423
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P 2
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1 0.7834588 0.3429796
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2 0.2143250 0.7527595
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S 1
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1 3.2298061 1.0000000
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P 1
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1 3.2298061 1.0000000
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CHLORINE
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S 3
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1 14500.35608106 0.02344138
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2 2176.80649430 0.17792925
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3 488.98549689 0.86335580
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S 3
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1 131.1386603 0.4530395
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2 39.2194217 0.5631736
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3 11.8894499 0.0636309
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P 3
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1 131.1386603 0.0509077
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2 39.2194217 0.2500132
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3 11.8894499 0.7986268
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S 2
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1 0.8699623 0.2313082
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2 0.2462718 0.8137426
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P 2
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1 0.8699623 0.3970012
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2 0.2462718 0.7022388
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S 1
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1 3.7221385 1.0000000
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P 1
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1 3.7221385 1.0000000
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ARGON
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S 3
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1 16573.92190582 0.02334667
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2 2487.85495144 0.17728956
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3 558.59858877 0.86391334
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S 3
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1 149.6098098 0.4474468
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2 44.6949256 0.5662798
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3 13.6070650 0.0667210
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P 3
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1 149.6098098 0.0505754
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2 44.6949256 0.2494461
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3 13.6070650 0.7988248
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S 2
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1 1.0080542 0.2633373
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2 0.2877699 0.7855456
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P 2
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1 1.0080542 0.4261746
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2 0.2877699 0.6751394
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S 1
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1 4.3095468 1.0000000
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P 1
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1 4.3095468 1.0000000
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