mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-16 02:53:51 +01:00
836 lines
30 KiB
Plaintext
836 lines
30 KiB
Plaintext
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ALUMINUM
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S 16
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1 3652000.0000000 0.0000019
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2 546800.0000000 0.0000145
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16 2.3390000 0.0006528
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S 16
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1 3652000.0000000 -0.0000005
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16 2.3390000 0.4765570
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S 16
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1 3652000.0000000 0.0000001
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2 546800.0000000 0.0000009
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3 124500.0000000 0.0000046
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4 35440.0000000 0.0000190
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6 4434.0000000 0.0002031
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7 1812.0000000 0.0005647
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9 361.0000000 0.0035794
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10 169.5000000 0.0081516
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11 81.6800000 0.0165276
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S 1
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S 1
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S 1
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S 1
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S 1
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1 0.0452100 1.0000000
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S 1
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1 0.0173700 1.0000000
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P 9
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3 222.0000000 0.0031691
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4 84.8200000 0.0132401
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5 35.8100000 0.0433403
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6 16.2200000 0.1119500
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7 7.7020000 0.2177960
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8 3.7410000 0.3116750
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9 1.8310000 0.3167220
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P 9
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1 2884.0000000 -0.0000080
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2 683.2000000 -0.0000651
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3 222.0000000 -0.0003999
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4 84.8200000 -0.0015369
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5 35.8100000 -0.0055644
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6 16.2200000 -0.0131106
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7 7.7020000 -0.0297200
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8 3.7410000 -0.0347195
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9 1.8310000 -0.0551621
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P 1
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1 0.8878000 1.0000000
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P 1
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1 0.3989000 1.0000000
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P 1
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1 0.1718000 1.0000000
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P 1
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1 0.0729800 1.0000000
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P 1
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1 0.0306900 1.0000000
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P 1
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1 0.0102100 1.0000000
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D 1
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D 1
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D 1
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D 1
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1 0.3500000 1.0000000
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D 1
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D 1
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1 0.0661000 1.0000000
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D 1
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1 0.0237000 1.0000000
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F 1
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1 0.8756000 1.0000000
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F 1
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1 0.4472000 1.0000000
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F 1
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1 0.2284000 1.0000000
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F 1
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1 0.1167000 1.0000000
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F 1
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1 0.0462500 1.0000000
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G 1
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1 0.6952000 1.0000000
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G 1
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1 0.3771000 1.0000000
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G 1
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1 0.2046000 1.0000000
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G 1
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1 0.0854500 1.0000000
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H 1
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1 0.6560000 1.0000000
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H 1
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1 0.3300000 1.0000000
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H 1
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1 0.1655000 1.0000000
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I 1
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1 0.5302000 1.0000000
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I 1
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1 0.2990000 1.0000000
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SILICON
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S 16
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1 4465000.0000000 0.0000017
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2 668500.0000000 0.0000136
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3 152200.0000000 0.0000714
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4 43300.0000000 0.0002973
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5 14410.0000000 0.0010383
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6 5394.0000000 0.0031747
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7 2212.0000000 0.0087324
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8 968.1000000 0.0223830
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9 441.2000000 0.0537273
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10 207.1000000 0.1166490
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11 99.8000000 0.2159780
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12 49.2400000 0.3095660
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13 24.7400000 0.2839450
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14 12.4700000 0.1222320
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15 5.7950000 0.0141952
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16 2.8300000 0.0003121
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S 16
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1 4465000.0000000 -0.0000005
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2 668500.0000000 -0.0000036
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3 152200.0000000 -0.0000190
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4 43300.0000000 -0.0000791
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5 14410.0000000 -0.0002769
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6 5394.0000000 -0.0008472
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7 2212.0000000 -0.0023478
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8 968.1000000 -0.0060705
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9 441.2000000 -0.0149711
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10 207.1000000 -0.0339729
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11 99.8000000 -0.0694584
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12 49.2400000 -0.1190010
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13 24.7400000 -0.1536450
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14 12.4700000 -0.0704684
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15 5.7950000 0.2131490
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16 2.8300000 0.4915960
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S 16
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1 4465000.0000000 0.0000001
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2 668500.0000000 0.0000009
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3 152200.0000000 0.0000049
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4 43300.0000000 0.0000203
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5 14410.0000000 0.0000709
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6 5394.0000000 0.0002172
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7 2212.0000000 0.0006013
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||
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8 968.1000000 0.0015591
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9 441.2000000 0.0038443
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10 207.1000000 0.0087797
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11 99.8000000 0.0180388
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12 49.2400000 0.0315224
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13 24.7400000 0.0416905
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14 12.4700000 0.0200973
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15 5.7950000 -0.0667484
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16 2.8300000 -0.1819060
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S 1
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1 1.4070000 1.0000000
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S 1
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1 0.6995000 1.0000000
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S 1
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1 0.3083000 1.0000000
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S 1
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1 0.1385000 1.0000000
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S 1
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1 0.0614500 1.0000000
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S 1
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1 0.0253900 1.0000000
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P 9
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1 3572.0000000 0.0000599
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2 846.0000000 0.0005296
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3 274.8000000 0.0029958
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4 105.0000000 0.0126335
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6 20.0800000 0.1102590
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7 9.5300000 0.2188310
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8 4.6340000 0.3178280
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9 2.2800000 0.3194250
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P 9
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8 4.6340000 -0.0725859
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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G 1
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H 1
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H 1
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H 1
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I 1
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I 1
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1 0.4271000 1.0000000
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PHOSPHORUS
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S 16
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1 5384000.0000000 0.0000016
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2 806200.0000000 0.0000128
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3 183600.0000000 0.0000672
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15 7.0100000 0.0173208
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S 16
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1 5384000.0000000 -0.0000004
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2 806200.0000000 -0.0000035
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3 183600.0000000 -0.0000183
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7 2687.0000000 -0.0022273
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8 1178.0000000 -0.0057833
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9 536.2000000 -0.0143438
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10 251.5000000 -0.0327061
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11 121.3000000 -0.0673716
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12 59.8800000 -0.1176470
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13 30.0500000 -0.1572800
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14 15.1200000 -0.0838544
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||
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15 7.0100000 0.1997180
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||
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16 3.4410000 0.4986050
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||
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S 16
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||
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|
1 5384000.0000000 0.0000001
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||
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2 806200.0000000 0.0000010
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3 183600.0000000 0.0000050
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||
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4 52250.0000000 0.0000209
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||
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5 17390.0000000 0.0000730
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||
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|
6 6523.0000000 0.0002221
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||
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|
7 2687.0000000 0.0006122
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||
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|
8 1178.0000000 0.0015918
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||
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|
9 536.2000000 0.0039534
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||
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|
10 251.5000000 0.0090572
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||
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|
11 121.3000000 0.0187909
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||
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|
12 59.8800000 0.0333831
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||
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13 30.0500000 0.0459484
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||
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14 15.1200000 0.0255240
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||
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|
15 7.0100000 -0.0669496
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||
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|
16 3.4410000 -0.2036450
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S 1
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1 1.7120000 1.0000000
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S 1
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1 0.8337000 1.0000000
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S 1
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1 0.3912000 1.0000000
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S 1
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1 0.1777000 1.0000000
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S 1
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1 0.0793900 1.0000000
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S 1
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1 0.0322800 1.0000000
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P 9
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|
|
1 4552.0000000 0.0000520
|
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2 1078.0000000 0.0004604
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3 350.1000000 0.0026208
|
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P 9
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P 1
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P 1
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P 1
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P 1
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P 1
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1 0.0578300 1.0000000
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P 1
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1 0.0219700 1.0000000
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|
||
|
|
16 5.8820000 -0.2387540
|
||
|
|
S 1
|
||
|
|
1 2.9390000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.4050000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.6963000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.3188000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1410000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0535700 1.0000000
|
||
|
|
P 9
|
||
|
|
1 7050.0000000 0.0000502
|
||
|
|
2 1669.0000000 0.0004454
|
||
|
|
3 542.1000000 0.0025480
|
||
|
|
4 207.1000000 0.0110155
|
||
|
|
5 87.5200000 0.0378490
|
||
|
|
6 39.6100000 0.1043550
|
||
|
|
7 18.7800000 0.2193350
|
||
|
|
8 9.1300000 0.3346150
|
||
|
|
9 4.5160000 0.3267710
|
||
|
|
P 9
|
||
|
|
1 7050.0000000 -0.0000140
|
||
|
|
2 1669.0000000 -0.0001243
|
||
|
|
3 542.1000000 -0.0007147
|
||
|
|
4 207.1000000 -0.0030968
|
||
|
|
5 87.5200000 -0.0107961
|
||
|
|
6 39.6100000 -0.0303536
|
||
|
|
7 18.7800000 -0.0659785
|
||
|
|
8 9.1300000 -0.1038770
|
||
|
|
9 4.5160000 -0.1099560
|
||
|
|
P 1
|
||
|
|
1 2.2450000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 1.0650000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.4885000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2166000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0925500 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0367800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 17.7430000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.5800000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.8890000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.2520000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5940000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2470000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0898000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.0582000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.5292000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.7647000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3824000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1830000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.8450000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.9657000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.5055000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2555000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 1.8743000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 0.8871000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 0.5265000 1.0000000
|
||
|
|
I 1
|
||
|
|
1 1.5066000 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.9926000 1.0000000
|
||
|
|
|
||
|
|
|