mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-08 22:43:38 +01:00
314 lines
8.4 KiB
Plaintext
314 lines
8.4 KiB
Plaintext
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HYDROGEN
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S 2
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1 1.309756377 0.430128498
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2 0.233135974 0.678913531
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HELIUM
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S 2
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1 2.4328790 0.4301280
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2 0.4330510 0.6789140
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LITHIUM
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S 2
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1 6.1638450 0.4301280
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2 1.0971610 0.6789140
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S 2
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1 0.2459160 0.0494720
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2 0.0623710 0.9637820
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P 2
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1 0.2459160 0.5115410
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2 0.0623710 0.6128200
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BERYLLIUM
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S 2
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1 11.5356690 0.4301280
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2 2.0533430 0.6789140
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S 2
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1 0.5081630 0.0494720
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2 0.1288840 0.9637820
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P 2
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1 0.5081630 0.5115410
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2 0.1288840 0.6128200
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BORON
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S 2
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1 18.6568730 0.4301280
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2 3.3209140 0.6789140
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S 2
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1 0.8645500 0.0494720
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2 0.2192730 0.9637820
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P 2
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1 0.8645500 0.5115410
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2 0.2192730 0.6128200
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CARBON
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S 2
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1 27.38503303 0.430128498
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2 4.874522052 0.678913531
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S 2
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1 1.1367482 0.0494718
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2 0.2883094 0.9637824
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P 2
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1 1.1367482 0.5115407
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2 0.2883094 0.6128199
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NITROGEN
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S 2
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1 37.8964750 0.4301280
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2 6.7455540 0.6789140
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S 2
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1 1.4610890 0.0494720
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2 0.3705710 0.9637820
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P 2
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1 1.4610890 0.5115410
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2 0.3705710 0.6128200
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OXYGEN
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S 2
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1 49.9809710 0.4301280
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2 8.8965880 0.6789140
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S 2
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1 1.9452370 0.0494720
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2 0.4933630 0.9637820
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P 2
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1 1.9452370 0.5115410
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2 0.4933630 0.6128200
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FLUORINE
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S 2
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1 63.7352020 0.4301280
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2 11.3448340 0.6789140
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S 2
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1 2.4985480 0.0494720
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2 0.6336980 0.9637820
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P 2
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1 2.4985480 0.5115410
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2 0.6336980 0.6128200
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NEON
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S 2
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1 79.1591680 0.4301280
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2 14.0902920 0.6789140
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S 2
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1 3.1870760 0.0494720
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2 0.8083270 0.9637820
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P 2
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1 3.1870760 0.5115410
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2 0.8083270 0.6128200
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SODIUM
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S 2
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1 95.8910160 0.4301280
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2 17.0685520 0.6789140
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S 2
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1 4.6533520 0.0494720
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2 1.1802130 0.9637820
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P 2
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1 4.6533520 0.5115410
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2 1.1802130 0.6128200
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S 2
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1 0.2840050 -0.2983990
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2 0.0974390 1.2279830
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P 2
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1 0.2840050 0.3480470
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2 0.0974390 0.7222520
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MAGNESIUM
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S 2
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1 114.4231830 0.4301280
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2 20.3672690 0.6789140
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S 2
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1 5.8443550 0.0494720
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2 1.4822830 0.9637820
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P 2
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1 5.8443550 0.5115410
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2 1.4822830 0.6128200
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S 2
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1 0.3178150 -0.2983990
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2 0.1090390 1.2279830
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P 2
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1 0.3178150 0.3480470
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2 0.1090390 0.7222520
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ALUMINUM
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S 2
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1 134.3774610 0.4301280
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2 23.9191200 0.6789140
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S 2
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1 7.3043300 0.0494720
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2 1.8525710 0.9637820
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P 2
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1 7.3043300 0.5115410
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2 1.8525710 0.6128200
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S 2
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1 0.3747870 -0.2983990
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2 0.1285860 1.2279830
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P 2
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1 0.3747870 0.3480470
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2 0.1285860 0.7222520
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SILICON
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S 2
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1 155.9346910 0.4301280
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2 27.7562960 0.6789140
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S 2
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1 8.9639960 0.0494720
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2 2.2735060 0.9637820
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P 2
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1 8.9639960 0.5115410
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2 2.2735060 0.6128200
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S 2
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1 0.4660350 -0.2983990
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2 0.1598920 1.2279830
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P 2
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1 0.4660350 0.3480470
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2 0.1598920 0.7222520
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PHOSPHORUS
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S 2
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1 179.0948740 0.4301280
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2 31.8787970 0.6789140
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S 2
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1 10.8341890 0.0494720
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2 2.7478370 0.9637820
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P 2
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1 10.8341890 0.5115410
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2 2.7478370 0.6128200
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S 2
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1 0.5872910 -0.2983990
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2 0.2014940 1.2279830
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P 2
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1 0.5872910 0.3480470
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2 0.2014940 0.7222520
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SULFUR
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S 2
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1 203.8580090 0.4301280
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2 36.2866230 0.6789140
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S 2
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1 12.8814430 0.0494720
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2 3.2670740 0.9637820
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P 2
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1 12.8814430 0.5115410
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2 3.2670740 0.6128200
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S 2
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1 0.7225530 -0.2983990
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2 0.2479010 1.2279830
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P 2
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1 0.7225530 0.3480470
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2 0.2479010 0.7222520
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CHLORINE
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S 2
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1 229.9441040 0.4301280
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2 40.9299350 0.6789140
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S 2
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1 15.0576100 0.0494720
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2 3.8190080 0.9637820
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P 2
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1 15.0576100 0.5115410
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2 3.8190080 0.6128200
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S 2
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1 0.8883460 -0.2983990
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2 0.3047830 1.2279830
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P 2
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1 0.8883460 0.3480470
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2 0.3047830 0.7222520
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ARGON
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S 2
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1 257.8966190 0.4301280
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2 45.9054680 0.6789140
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S 2
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1 17.4552940 0.0494720
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2 4.4271240 0.9637820
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P 2
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1 17.4552940 0.5115410
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2 4.4271240 0.6128200
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S 2
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1 1.0530930 -0.2983990
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2 0.3613060 1.2279830
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P 2
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1 1.0530930 0.3480470
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2 0.3613060 0.7222520
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POTASSIUM
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S 2
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1 295.0121465 0.4301284983
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2 52.51201337 0.6789135305
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S 2
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1 20.2525924 0.0494718
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2 5.1365922 0.9637824
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P 2
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1 20.2525924 0.5115407
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2 5.1365922 0.6128199
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S 2
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1 1.4669665 -0.2983986
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2 0.5033015 1.2279829
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P 2
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1 1.4669665 0.3480472
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2 0.5033015 0.7222523
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S 2
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1 0.2540481 -0.6615603
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2 0.1022398 1.5107541
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P 2
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1 0.2540481 0.1309891
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2 0.1022398 0.8946431
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CALCIUM
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S 2
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1 326.5671727 0.4301284983
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2 58.12879211 0.6789135305
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S 2
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1 23.0191510 0.0494718
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2 5.8382645 0.9637824
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P 2
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1 23.0191510 0.5115407
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2 5.8382645 0.6128199
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S 2
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1 1.7574695 -0.2983986
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2 0.6029702 1.2279829
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P 2
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1 1.7574695 0.3480472
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2 0.6029702 0.7222523
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S 2
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1 0.2297850 -0.6615603
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2 0.0924753 1.5107541
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P 2
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1 0.2297850 0.1309891
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2 0.0924753 0.8946431
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STRONTIUM
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S 2
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1 1185.7623300 0.4301284983
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2 211.0650970 0.6789135305
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S 2
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1 101.8394821 0.0494718
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2 25.8291818 0.9637824
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P 2
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1 101.8394821 0.5115407
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2 25.8291818 0.6128199
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S 2
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1 12.5441116 -0.3121717
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2 3.8797320 1.2253984
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P 2
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1 12.5441116 0.2940025
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2 3.8797320 0.7800416
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S 2
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1 1.2405610 -0.6615603
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2 0.4992547 1.5107541
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P 2
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1 1.2405610 0.1309891
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2 0.4992547 0.8946431
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S 2
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1 0.2632281 -1.0936898
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2 0.1273435 1.8813747
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P 2
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1 0.2632281 -0.1047404
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2 0.1273435 1.0876268
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D 2
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1 12.54411156 0.6006042500
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2 3.879731996 0.5292040571
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