mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-18 11:23:38 +01:00
205 lines
6.2 KiB
Plaintext
205 lines
6.2 KiB
Plaintext
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HYDROGEN
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S 8
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1 13940.8000000 0.00000301
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2 3471.4300000 0.00000544
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3 1903.1800000 0.00001785
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4 623.2860000 0.00007195
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5 290.3600000 0.00012055
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6 126.5850000 0.00052527
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7 44.6955000 0.00201384
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8 16.0038000 0.00687086
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S 1
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1 6.0805600 1.0000000
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S 1
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1 2.4762200 1.0000000
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S 1
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1 1.0757100 1.0000000
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S 1
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1 0.4896820 1.0000000
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S 1
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S 1
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1 0.1099655 1.0000000
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S 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 1.6500200 1.0000000
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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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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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K 1
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1 4.1600000 1.0000000
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NEON
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S 13
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1 7741600.0000000 0.00000037
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2 1199700.0000000 0.00000275
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3 279049.0000000 0.00001409
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4 80647.0000000 0.00005802
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7 3844.0400000 0.00200469
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8 1606.5300000 0.00555536
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9 703.3980000 0.01455391
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10 318.6440000 0.03600119
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11 148.2690000 0.08216342
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12 70.6164000 0.16533764
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13 34.3637000 0.27216031
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S 13
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1 7741600.0000000 -0.00000009
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2 1199700.0000000 -0.00000065
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3 279049.0000000 -0.00000331
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9 703.3980000 -0.00346487
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10 318.6440000 -0.00870414
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11 148.2690000 -0.02053558
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12 70.6164000 -0.04403733
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13 34.3637000 -0.08245730
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S 1
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1 17.0553000 1.0000000
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S 1
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1 8.5559700 1.0000000
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S 1
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1 4.2083200 1.0000000
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S 1
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1 2.0514000 1.0000000
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S 1
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1 0.9727960 1.0000000
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S 1
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1 0.4557530 1.0000000
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S 1
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1 0.2074050 1.0000000
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P 7
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1 5865.3500000 0.00000605
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2 1338.2600000 0.00005711
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3 429.4940000 0.00033617
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4 164.3140000 0.00150898
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5 70.0782000 0.00551808
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6 32.0242000 0.01705910
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7 15.2906000 0.04560384
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P 1
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1 7.5357100 1.0000000
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P 1
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1 3.7861900 1.0000000
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P 1
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1 1.9079700 1.0000000
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P 1
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1 0.9527700 1.0000000
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P 1
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1 0.4698040 1.0000000
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P 1
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P 1
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1 0.1075330 1.0000000
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D 1
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1 24.0372000 1.0000000
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D 1
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1 12.1858000 1.0000000
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D 1
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1 6.1777000 1.0000000
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D 1
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1 3.1318000 1.0000000
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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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G 1
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I 1
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I 1
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K 1
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L 1
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