mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-13 00:43:39 +01:00
375 lines
12 KiB
Plaintext
375 lines
12 KiB
Plaintext
HYDROGEN
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S 2
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1 4.5018000 0.0704520
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2 0.6814440 0.4078260
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S 1
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1 0.1513980 1.0000000
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HELIUM
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S 2
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1 13.6267360 0.0802410
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2 1.9993490 0.4091430
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S 1
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1 0.3829930 1.0000000
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LITHIUM
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S 3
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1 35.0461500 0.0737600
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2 5.2016900 0.3974710
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3 1.0562400 0.6650920
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S 2
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1 0.7151700 -0.0939700
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2 0.0705300 0.5701000
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S 1
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1 0.0273500 1.0000000
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BERYLLIUM
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S 3
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1 66.9535400 0.0702000
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2 9.9392900 0.3919100
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3 2.0571300 0.6699700
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S 2
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1 1.9122100 -0.0828200
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2 0.1613200 0.5575530
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S 1
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1 0.0552400 1.0000000
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BORON
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S 3
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1 108.4370400 0.0686510
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2 16.1205600 0.3899330
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3 3.3734300 0.6713950
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S 2
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1 3.5665000 -0.0824190
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2 0.2954700 0.5590640
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S 1
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1 0.0980500 1.0000000
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P 2
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1 2.5720720 0.1059000
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2 0.5169400 0.4571800
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P 1
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1 0.1231400 1.0000000
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CARBON
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S 3
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1 153.1722600 0.0707400
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2 23.0730300 0.3953800
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3 4.9232900 0.6633110
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S 2
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1 5.7255700 -0.0813800
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2 0.4550400 0.5748530
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S 1
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1 0.1470700 1.0000000
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P 2
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1 4.2513100 0.1099310
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2 0.8632700 0.4627130
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P 1
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1 0.2013500 1.0000000
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NITROGEN
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S 3
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1 218.3644900 0.0678700
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2 32.5988900 0.3902020
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3 6.9173900 0.6700830
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S 2
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1 8.3263800 -0.0808900
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2 0.6591900 0.5672020
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S 1
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1 0.2100900 1.0000000
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P 2
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1 6.1203500 0.1159190
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2 1.2593800 0.4699580
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P 1
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1 0.2914500 1.0000000
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OXYGEN
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S 3
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1 281.8665800 0.0690600
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2 42.4160000 0.3931590
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3 9.0956200 0.6656690
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S 2
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1 11.4660300 -0.0808200
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2 0.8878600 0.5820900
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S 1
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1 0.2788000 1.0000000
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P 2
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1 8.0472400 0.1242710
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2 1.6684200 0.4765940
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P 1
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1 0.3725100 1.0000000
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FLUORINE
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S 3
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1 368.3711200 0.0670400
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2 55.0610600 0.3892490
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3 11.7476700 0.6707880
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S 2
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1 15.1518400 -0.0805500
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2 1.1513700 0.5877290
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S 1
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1 0.3581100 1.0000000
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P 2
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1 10.5770700 0.1262700
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2 2.1949800 0.4779480
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P 1
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1 0.4793700 1.0000000
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NEON
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S 3
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1 456.9528500 0.0669100
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2 68.3654300 0.3893490
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3 14.6197600 0.6705180
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S 2
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1 19.3271900 -0.0802500
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2 1.4418200 0.5952980
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S 1
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1 0.4440800 1.0000000
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P 2
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1 13.3525200 0.1288400
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2 2.7794700 0.4804410
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P 1
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1 0.6009700 1.0000000
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SODIUM
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S 3
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1 542.7605300 0.0684100
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2 81.9594700 0.3920920
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3 17.7237700 0.6660840
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S 3
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1 23.2804200 -0.0838010
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2 1.8683400 0.5827940
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3 0.6232500 0.4924740
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S 2
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1 0.5067300 -0.1157620
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2 0.0535100 0.6958630
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S 1
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1 0.0208000 1.0000000
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P 3
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1 17.8363600 0.1257100
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2 3.7956900 0.4804610
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3 0.8775100 0.6022810
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ALUMINUM
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S 3
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1 777.4433400 0.0668870
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2 117.2315300 0.3877680
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3 25.3762970 0.6707030
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S 3
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1 33.3562530 -0.0889560
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2 2.8013150 0.6010610
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3 1.0227330 0.4687860
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S 2
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1 1.3291880 -0.1513890
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2 0.1616630 0.6593860
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S 1
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1 0.0589890 1.0000000
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P 3
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1 30.5695800 0.1123530
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2 6.6447010 0.4674670
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3 1.6543950 0.6097820
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P 2
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1 0.0446520 0.3964700
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2 0.2996510 0.2264330
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P 1
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1 0.1158480 1.0000000
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SILICON
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S 3
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1 909.2348700 0.0664050
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2 137.1245600 0.3862220
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3 29.7148100 0.6722400
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S 3
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1 39.1294230 -0.0909990
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2 3.3359810 0.6116150
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3 1.2512590 0.4568600
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S 2
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1 1.8031010 -0.1687330
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2 0.2263890 0.6754530
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S 1
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1 0.0823960 1.0000000
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P 3
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1 37.8817610 0.1087530
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2 8.3045980 0.4635150
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3 2.1207920 0.6113340
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P 2
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1 0.4478020 0.2389130
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2 0.0623620 0.3454530
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P 1
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1 0.1708380 1.0000000
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PHOSPHORUS
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S 3
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1 1053.2658000 0.0658650
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2 158.7904400 0.3845780
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3 34.4244070 0.6739630
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S 3
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1 45.4503800 -0.0926550
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2 3.8999260 0.6265130
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3 1.4885070 0.4410390
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S 2
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1 2.3008410 -0.1805490
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2 0.2989590 0.6809520
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S 1
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1 0.1088540 1.0000000
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P 3
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1 46.1000190 0.1053880
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2 10.1650570 0.4597120
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3 2.6447940 0.6137140
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P 2
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1 0.6326860 0.2358850
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2 0.2402190 0.5541600
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P 1
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1 0.0864470 1.0000000
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SULFUR
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S 3
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1 1201.4584000 0.0657650
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2 181.3921200 0.3839480
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3 39.4047950 0.6743720
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S 3
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1 52.1390300 -0.0942320
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2 4.5287990 0.6354680
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3 1.7549380 0.4315060
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S 2
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1 2.8404370 0.1900420
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2 0.3814330 -0.6855270
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S 1
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1 0.1387860 1.0000000
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P 3
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1 54.6440710 0.1036730
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2 12.1229020 0.4581900
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3 3.2065040 0.6134000
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P 2
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1 0.8632740 0.2294360
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2 0.1086790 0.3537000
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P 1
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1 0.3181300 1.0000000
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CHLORINE
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S 3
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1 1362.0220000 0.0655440
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2 205.8111000 0.3829870
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3 44.7721670 0.6752100
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S 3
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1 59.2257320 -0.0956200
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2 5.2139020 0.6414260
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3 2.0473460 0.4251530
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S 2
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1 3.4197120 0.1964010
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2 0.4700170 -0.6923600
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S 1
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1 0.1699580 1.0000000
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P 3
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1 64.0999580 0.1017890
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2 14.2871390 0.4561070
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3 3.8281350 0.6142820
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P 2
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1 1.0951260 0.2359030
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2 0.1321760 0.3466000
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P 1
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1 0.3960040 1.0000000
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ARGON
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S 3
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1 1536.9325000 0.0651590
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2 232.1776500 0.3818070
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3 50.5216850 0.6764460
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S 3
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1 66.9339490 -0.0967400
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2 5.9185520 0.6527490
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3 2.3393420 0.4135730
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S 2
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1 4.0453070 0.2007360
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2 0.5657010 -0.6962680
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S 1
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1 0.2040650 1.0000000
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P 3
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1 74.3529150 0.1000790
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2 16.6313460 0.4542260
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3 4.5039270 0.6152500
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P 2
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1 1.3570910 0.2372760
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2 0.4881130 0.5583600
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P 1
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1 0.1621260 1.0000000
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POTASSIUM
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S 3
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1 1721.1755000 0.0648750
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2 260.0163300 0.3808590
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3 56.6245540 0.6773680
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S 3
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1 75.0556000 -0.0978730
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2 6.6911630 0.6595600
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3 2.6671660 0.4065290
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S 3
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1 4.6689370 -0.2129300
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2 0.7000130 0.6892490
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3 0.2753340 0.4339250
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S 2
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1 0.2523120 -0.1529800
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2 0.0376310 0.6817280
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S 1
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1 0.0162180 1.0000000
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P 3
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1 85.7898460 0.0980350
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2 19.2547940 0.4510410
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3 5.2686240 0.6177080
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P 3
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1 1.6831450 0.2386360
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2 0.6258090 0.5710570
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3 0.2238980 0.3165360
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CESIUM
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S 3
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1 15525.8660000 0.0607240
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2 2349.0055000 0.3658420
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3 516.2355500 0.6920470
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S 3
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1 687.5050500 -0.1102130
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2 67.1911570 0.7272030
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3 27.9920030 0.3401430
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S 3
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1 60.1681880 -0.2753150
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2 10.8686940 0.8901280
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3 4.7407050 0.2648630
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S 3
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1 9.8871630 -0.3688270
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2 2.3693430 0.8325820
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3 1.1416760 0.3887890
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S 3
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1 1.7690780 -0.3409420
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2 0.3836200 0.7000970
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3 0.1713060 0.4934520
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S 2
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1 0.2118490 -0.2750220
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2 0.0403240 0.1936040
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S 1
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1 0.0170580 1.0000000
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P 3
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1 1024.2833000 0.0791850
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2 239.6488900 0.4199330
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3 71.2555480 0.6432510
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P 3
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1 139.4586400 -0.0331230
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2 25.8108100 0.3891080
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3 10.1394520 0.6790330
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P 3
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1 4.3242440 0.3816690
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2 1.9364150 0.5769760
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3 0.8145050 0.1154050
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P 3
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1 0.5945840 0.3199070
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2 0.2749920 0.5531870
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3 0.1115530 0.2160880
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D 3
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1 144.0513900 0.1118300
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2 40.5051460 0.4768350
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3 13.0862440 0.5954170
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D 3
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1 7.3715780 0.2537250
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2 2.7248240 0.5788860
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3 1.0266780 0.3325980
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