mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-30 23:25:39 +01:00
76 lines
2.6 KiB
Plaintext
76 lines
2.6 KiB
Plaintext
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POTASSIUM
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S 6
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1 31478.7000000 0.00398387
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2 4726.8900000 0.03050180
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3 1075.4300000 0.15073800
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4 303.3980000 0.51912900
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5 98.3271000 1.03670000
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6 33.6362000 0.76399000
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S 3
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1 65.6392000 -0.2824260
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2 7.3162600 1.6914900
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3 2.8902600 1.2965300
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S 3
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1 4.5459700 -0.00763436
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2 0.7040410 0.0256357
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3 0.2826690 0.0166069
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S 1
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1 0.0290582 1.0000000
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S 1
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1 0.0121116 1.0000000
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P 5
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1 361.2250000 0.0209065
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2 84.6702000 0.1504360
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3 26.4691000 0.5544010
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4 9.2658100 1.0409000
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5 3.3423400 0.6782530
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P 3
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1 1.6354600 0.2409020
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2 0.8319680 0.2994240
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3 0.4368420 0.4460790
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P 1
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1 0.1798370 1.0000000
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D 3
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1 10.0700000 0.0480790
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2 2.5580000 0.2162930
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3 0.7968000 0.4236910
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CALCIUM
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S 6
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1 35138.7000000 0.00394825
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2 5276.4100000 0.0302342
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3 1200.4700000 0.1495200
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4 338.7180000 0.5159730
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5 109.8540000 1.0339500
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6 37.6089000 0.7693790
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S 3
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1 73.1080000 -0.2826850
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2 8.2407700 1.6796100
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3 3.2959800 1.2803800
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S 3
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1 5.2341800 -0.00768686
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2 0.8418720 0.02538240
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3 0.3651030 0.01651220
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S 1
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1 0.0512224 1.0000000
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S 1
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1 0.0198250 1.0000000
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P 5
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1 413.1130000 0.0203270
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2 96.9358000 0.1473030
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3 30.3722000 0.5488720
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4 10.6848000 1.0440700
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5 3.8821300 0.6865350
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P 3
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1 1.9099100 0.2686680
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2 0.9793250 0.2901870
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3 0.5497690 0.4429810
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P 1
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1 0.2312330 1.0000000
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D 3
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1 10.9700000 0.0600080
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2 2.7680000 0.2610100
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3 0.8281000 0.5086920
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