mirror of
https://github.com/QuantumPackage/qp2.git
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139 lines
5.2 KiB
Plaintext
139 lines
5.2 KiB
Plaintext
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CALCIUM
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S 17
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1 28249600.0000000 0.00000043
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2 4250190.0000000 0.00000329
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3 975014.0000000 0.00001714
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4 277446.0000000 0.00007228
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5 90454.7000000 0.00026522
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6 32515.9000000 0.00087484
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7 12610.6000000 0.00264991
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8 5190.7700000 0.00748447
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9 2242.3300000 0.01973093
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10 1011.5300000 0.04779799
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11 475.5470000 0.10359562
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12 232.0720000 0.19293018
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13 116.8740000 0.28626757
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14 60.3427000 0.29278494
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15 31.5244000 0.16312798
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16 16.0308000 0.03221688
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17 8.4599200 0.00059258
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S 17
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1 28249600.0000000 -0.00000012
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2 4250190.0000000 -0.00000096
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3 975014.0000000 -0.00000497
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4 277446.0000000 -0.00002099
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5 90454.7000000 -0.00007701
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6 32515.9000000 -0.00025431
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7 12610.6000000 -0.00077168
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8 5190.7700000 -0.00219083
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9 2242.3300000 -0.00583567
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10 1011.5300000 -0.01446869
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11 475.5470000 -0.03280384
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12 232.0720000 -0.06674435
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13 116.8740000 -0.11668667
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14 60.3427000 -0.15919701
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15 31.5244000 -0.11620650
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16 16.0308000 0.10547012
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17 8.4599200 0.42483472
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S 17
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1 28249600.0000000 0.00000004
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2 4250190.0000000 0.00000033
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3 975014.0000000 0.00000172
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4 277446.0000000 0.00000724
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5 90454.7000000 0.00002656
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6 32515.9000000 0.00008772
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7 12610.6000000 0.00026618
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8 5190.7700000 0.00075622
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9 2242.3300000 0.00201618
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10 1011.5300000 0.00501203
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11 475.5470000 0.01141485
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12 232.0720000 0.02345426
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13 116.8740000 0.04173784
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14 60.3427000 0.05894305
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15 31.5244000 0.04503419
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16 16.0308000 -0.04437618
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17 8.4599200 -0.21875449
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S 1
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1 4.5271800 1.0000000
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S 1
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1 2.4185900 1.0000000
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S 1
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1 1.2512900 1.0000000
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S 1
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1 0.6434300 1.0000000
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S 1
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1 0.3291800 1.0000000
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S 1
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1 0.1423900 1.0000000
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S 1
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1 0.0781900 1.0000000
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S 1
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1 0.0376300 1.0000000
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S 1
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1 0.0182900 1.0000000
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P 10
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1 406353.0000000 0.00000023
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2 13600.7000000 0.00002393
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3 3235.4700000 0.00021218
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4 1053.0500000 0.00122733
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5 403.5690000 0.00545277
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6 171.4900000 0.01962669
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7 78.2363000 0.05827993
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8 37.6065000 0.13955299
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9 18.7090000 0.25592562
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10 9.5004100 0.33998132
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P 10
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1 406353.0000000 -0.00000007
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2 13600.7000000 -0.00000779
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3 3235.4700000 -0.00006908
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4 1053.0500000 -0.00040059
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5 403.5690000 -0.00178490
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6 171.4900000 -0.00648320
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7 78.2363000 -0.01956244
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8 37.6065000 -0.04824767
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9 18.7090000 -0.09128611
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10 9.5004100 -0.12842086
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P 1
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1 4.9055700 1.0000000
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P 1
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1 2.5267000 1.0000000
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P 1
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1 1.2713900 1.0000000
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P 1
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1 0.6260100 1.0000000
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P 1
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1 0.3009900 1.0000000
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P 1
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1 0.1176900 1.0000000
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P 1
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1 0.0511600 1.0000000
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P 1
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1 0.0214200 1.0000000
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D 4
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1 39.5628000 0.00344600
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2 11.4373000 0.02136000
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3 3.9674300 0.07544800
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4 1.5247800 0.17152800
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D 1
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1 0.5904700 1.0000000
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D 1
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1 0.2191400 1.0000000
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D 1
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1 0.0795700 1.0000000
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D 1
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1 0.0283400 1.0000000
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F 1
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1 0.0860000 1.0000000
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F 1
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1 0.2580000 1.0000000
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F 1
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1 0.7741000 1.0000000
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G 1
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1 0.1012000 1.0000000
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G 1
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1 0.3023000 1.0000000
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H 1
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1 0.2534000 1.0000000
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