mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-31 15:45:43 +01:00
386 lines
11 KiB
Plaintext
386 lines
11 KiB
Plaintext
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HYDROGEN
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S 3
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1 33.8650000 0.0254938
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2 5.0947900 0.1903730
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3 1.1587900 0.8521610
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S 1
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1 0.3258400 1.0000000
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S 1
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1 0.1027410 1.0000000
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P 1
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1 1.5000000 1.0000000
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P 1
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1 0.3750000 1.0000000
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D 1
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1 1.0000000 1.0000000
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HELIUM
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S 3
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1 98.1243000 0.0287452
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2 14.7689000 0.2080610
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3 3.3188300 0.8376350
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S 1
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1 0.8740470 1.0000000
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S 1
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1 0.2445640 1.0000000
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P 1
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1 1.5000000 1.0000000
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P 1
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1 0.3750000 1.0000000
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D 1
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1 2.0000000 1.0000000
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LITHIUM
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S 6
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1 900.4600000 0.00228704
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2 134.4330000 0.0176350
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3 30.4365000 0.0873434
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4 8.6263900 0.2809770
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5 2.4833200 0.6587410
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6 0.3031790 0.1187120
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S 3
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1 4.8689000 0.0933293
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2 0.8569240 0.9430450
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3 0.2432270 -0.0027983
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P 3
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1 4.8689000 0.0327661
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2 0.8569240 0.1597920
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3 0.2432270 0.8856670
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S 1
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1 0.0635070 1.0000000
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P 1
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1 0.0635070 1.0000000
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S 1
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1 0.0243683 1.0000000
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P 1
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1 0.0243683 1.0000000
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D 1
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1 0.4000000 1.0000000
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D 1
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1 0.1000000 1.0000000
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F 1
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1 0.1500000 1.0000000
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BERYLLIUM
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S 6
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1 1682.8000000 0.00228574
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2 251.7150000 0.0175938
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3 57.4116000 0.0863315
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4 16.5171000 0.2818350
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5 4.8536400 0.6405940
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6 0.6268630 0.1444670
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S 3
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1 8.3093800 0.1086210
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2 1.7407500 0.9273010
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3 0.4858160 -0.0029717
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P 3
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1 8.3093800 0.0361344
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2 1.7407500 0.2169580
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3 0.4858160 0.8418390
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S 1
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1 0.1636130 1.0000000
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P 1
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1 0.1636130 1.0000000
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S 1
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1 0.0567285 1.0000000
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P 1
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1 0.0567285 1.0000000
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D 1
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1 0.5100000 1.0000000
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D 1
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1 0.1275000 1.0000000
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F 1
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1 0.2600000 1.0000000
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BORON
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S 6
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1 2858.8900000 0.00215375
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2 428.1400000 0.0165823
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3 97.5282000 0.0821870
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4 27.9693000 0.2766180
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5 8.2157700 0.6293160
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6 1.1127800 0.1737700
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S 3
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1 13.2415000 0.1174430
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2 3.0016600 0.9180020
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3 0.9128560 -0.0026510
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P 3
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1 13.2415000 0.0418100
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2 3.0016600 0.2365750
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3 0.9128560 0.8162140
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S 1
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1 0.3154540 1.0000000
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P 1
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1 0.3154540 1.0000000
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S 1
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1 0.0988563 1.0000000
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P 1
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1 0.0988563 1.0000000
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D 1
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1 0.8020000 1.0000000
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D 1
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1 0.2005000 1.0000000
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F 1
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1 0.5000000 1.0000000
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CARBON
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S 6
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1 4563.2400000 0.00196665
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2 682.0240000 0.0152306
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3 154.9730000 0.0761269
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4 44.4553000 0.2608010
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5 13.0290000 0.6164620
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6 1.8277300 0.2210060
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S 3
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1 20.9642000 0.1146600
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2 4.8033100 0.9199990
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3 1.4593300 -0.0030307
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P 3
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1 20.9642000 0.0402487
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2 4.8033100 0.2375940
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3 1.4593300 0.8158540
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S 1
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1 0.4834560 1.0000000
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P 1
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1 0.4834560 1.0000000
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S 1
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1 0.1455850 1.0000000
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P 1
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1 0.1455850 1.0000000
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D 1
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1 1.2520000 1.0000000
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D 1
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1 0.3130000 1.0000000
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F 1
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1 0.8000000 1.0000000
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NITROGEN
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S 6
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1 6293.4800000 0.00196979
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2 949.0440000 0.0149613
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3 218.7760000 0.0735006
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4 63.6916000 0.2489370
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5 18.8282000 0.6024600
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6 2.7202300 0.2562020
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S 3
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1 30.6331000 0.1119060
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2 7.0261400 0.9216660
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3 2.1120500 -0.0025692
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P 3
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1 30.6331000 0.0383119
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2 7.0261400 0.2374030
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3 2.1120500 0.8175920
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S 1
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1 0.6840090 1.0000000
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P 1
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1 0.6840090 1.0000000
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S 1
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1 0.2008780 1.0000000
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P 1
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1 0.2008780 1.0000000
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D 1
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1 1.8260000 1.0000000
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D 1
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1 0.4565000 1.0000000
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F 1
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1 1.0000000 1.0000000
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OXYGEN
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S 6
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1 8588.5000000 0.00189515
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2 1297.2300000 0.0143859
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3 299.2960000 0.0707320
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4 87.3771000 0.2400010
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5 25.6789000 0.5947970
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6 3.7400400 0.2808020
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S 3
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1 42.1175000 0.1138890
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2 9.6283700 0.9208110
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3 2.8533200 -0.0032745
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P 3
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1 42.1175000 0.0365114
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2 9.6283700 0.2371530
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3 2.8533200 0.8197020
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S 1
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1 0.9056610 1.0000000
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P 1
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1 0.9056610 1.0000000
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S 1
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1 0.2556110 1.0000000
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P 1
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1 0.2556110 1.0000000
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D 1
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1 2.5840000 1.0000000
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D 1
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1 0.6460000 1.0000000
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F 1
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1 1.4000000 1.0000000
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FLUORINE
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S 6
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1 11427.1000000 0.00180093
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2 1722.3500000 0.0137419
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3 395.7460000 0.0681334
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4 115.1390000 0.2333250
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5 33.6026000 0.5890860
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6 4.9190100 0.2995050
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S 3
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1 55.4441000 0.1145360
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2 12.6323000 0.9205120
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3 3.7175600 -0.0033780
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P 3
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1 55.4441000 0.0354609
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2 12.6323000 0.2374510
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3 3.7175600 0.8204580
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S 1
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1 1.1654500 1.0000000
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P 1
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1 1.1654500 1.0000000
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S 1
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1 0.3218920 1.0000000
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P 1
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1 0.3218920 1.0000000
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D 1
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1 3.5000000 1.0000000
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D 1
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1 0.8750000 1.0000000
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F 1
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1 1.8500000 1.0000000
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NEON
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S 6
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1 13995.7000000 0.00183276
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2 2117.1000000 0.0138827
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3 490.4250000 0.0680687
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4 143.8330000 0.2313280
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5 41.9265000 0.5858900
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6 6.1568400 0.3058830
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S 3
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1 69.1211000 0.1191490
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2 15.8350000 0.9173750
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3 4.6732600 -0.0040584
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P 3
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1 69.1211000 0.0356574
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2 15.8350000 0.2394770
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3 4.6732600 0.8184610
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S 1
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1 1.4575600 1.0000000
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P 1
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1 1.4575600 1.0000000
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S 1
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1 0.3970570 1.0000000
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P 1
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1 0.3970570 1.0000000
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D 1
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1 4.6080000 1.0000000
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D 1
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1 1.1520000 1.0000000
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F 1
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1 2.5000000 1.0000000
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POTASSIUM
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S 6
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1 182594.0000000 0.000227747
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2 27369.0000000 0.00176640
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3 6229.1700000 0.00919497
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4 1764.5800000 0.03745510
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5 577.0510000 0.12204500
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6 210.2490000 0.29899000
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S 2
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1 82.6178000 0.4051470
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2 33.2332000 0.2925320
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S 1
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1 8.1064900 1.0000000
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S 1
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1 3.3340300 1.0000000
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S 1
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1 0.8455440 1.0000000
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S 1
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1 0.3282160 1.0000000
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S 1
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1 0.0364035 1.0000000
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S 1
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1 0.0176463 1.0000000
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P 3
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1 891.0540000 0.00218429
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2 211.0160000 0.0175891
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3 67.6714000 0.0817775
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P 3
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1 25.2715000 0.2456560
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2 10.1390000 0.4339840
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3 4.2018600 0.3623770
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P 1
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1 1.6250700 1.0000000
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P 1
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1 0.6437700 1.0000000
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P 1
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1 0.2461300 1.0000000
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P 1
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1 0.0454400 1.0000000
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P 1
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1 0.0161600 1.0000000
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D 3
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1 13.3700000 0.0316016
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2 3.4210000 0.1568790
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3 1.0630000 0.3905820
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D 1
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1 0.4580000 1.0000000
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D 1
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1 0.1145000 1.0000000
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F 1
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1 1.1100000 1.0000000
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CALCIUM
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S 6
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1 202699.0000000 0.000222964
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2 30382.5000000 0.00172932
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3 6915.0800000 0.00900226
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4 1959.0200000 0.0366699
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5 640.9360000 0.1194100
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6 233.9770000 0.2918250
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S 2
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1 92.2892000 0.4044150
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2 37.2545000 0.2963130
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S 1
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1 9.1319800 1.0000000
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S 1
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1 3.8177900 1.0000000
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S 1
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1 1.0493500 1.0000000
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S 1
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1 0.4286600 1.0000000
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S 1
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1 0.0628226 1.0000000
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S 1
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1 0.0260162 1.0000000
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P 3
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1 1019.7600000 0.00205986
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2 241.5960000 0.01665010
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3 77.6370000 0.07776460
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P 3
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1 29.1154000 0.2418060
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2 11.7626000 0.4325780
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3 4.9228900 0.3673250
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P 1
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1 1.9064500 1.0000000
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P 1
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1 0.7369000 1.0000000
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P 1
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1 0.2764200 1.0000000
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P 1
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1 0.0602700 1.0000000
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P 1
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1 0.0179100 1.0000000
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D 3
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1 15.0800000 0.0368947
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2 3.9260000 0.1778200
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3 1.2330000 0.4255130
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D 1
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1 0.5200000 1.0000000
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D 1
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1 0.1300000 1.0000000
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F 1
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1 1.3300000 1.0000000
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