mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-23 12:55:37 +01:00
208 lines
6.6 KiB
Plaintext
208 lines
6.6 KiB
Plaintext
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HYDROGEN
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S 3
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1 74.6900000 0.0253740
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2 11.2300000 0.1896840
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3 2.5460000 0.8529330
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S 1
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1 0.7130000 1.0000000
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S 1
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1 0.2249000 1.0000000
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LITHIUM
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S 7
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1 1783.0000000 0.0008240
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2 267.1000000 0.0064030
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3 60.0700000 0.0332390
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4 16.7800000 0.1266210
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5 5.4030000 0.3377490
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6 1.9060000 0.5756690
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7 0.2634000 0.0623110
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S 1
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1 0.7179000 1.0000000
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S 1
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1 0.0771600 1.0000000
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S 1
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1 0.0285400 1.0000000
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BERYLLIUM
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S 6
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1 3630.0000000 0.0008390
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2 532.3000000 0.0067350
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3 117.8000000 0.0357260
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4 32.6600000 0.1386350
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5 10.4800000 0.3853990
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6 3.6680000 0.5476880
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S 2
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1 3.6680000 0.2134060
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2 1.3540000 0.8146920
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S 1
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1 0.3890000 1.0000000
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S 1
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1 0.1502000 1.0000000
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S 1
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1 0.0524100 1.0000000
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BORON
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S 6
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1 6250.0000000 0.0007980
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2 916.1000000 0.0064100
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3 202.2000000 0.0342990
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4 55.8300000 0.1354870
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5 17.8600000 0.3885320
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6 6.2530000 0.5477580
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S 2
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1 6.2530000 0.2326430
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2 2.3120000 0.7972190
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S 1
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1 0.6824000 1.0000000
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S 1
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1 0.2604000 1.0000000
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S 1
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1 0.0894000 1.0000000
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P 4
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1 15.4600000 0.0168220
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2 3.4830000 0.1008780
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3 1.0660000 0.3368950
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4 0.3928000 0.6723170
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P 1
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1 0.1503000 1.0000000
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P 1
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1 0.0572200 1.0000000
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CARBON
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S 6
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1 9471.0000000 0.0007760
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2 1398.0000000 0.0062180
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3 307.5000000 0.0335750
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4 84.5400000 0.1342780
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5 26.9100000 0.3936680
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6 9.4090000 0.5441690
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S 2
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1 9.4090000 0.2480750
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2 3.5000000 0.7828440
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S 1
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1 1.0680000 1.0000000
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S 1
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1 0.4002000 1.0000000
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S 1
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1 0.1351000 1.0000000
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P 4
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1 25.3700000 0.0162950
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2 5.7760000 0.1020980
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3 1.7870000 0.3402280
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4 0.6577000 0.6682690
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P 1
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1 0.2480000 1.0000000
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P 1
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1 0.0910600 1.0000000
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NITROGEN
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S 6
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1 13520.0000000 0.0007600
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2 1999.0000000 0.0060760
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3 440.0000000 0.0328470
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4 120.9000000 0.1323960
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5 38.4700000 0.3932610
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6 13.4600000 0.5463390
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S 2
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1 13.4600000 0.2520360
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2 4.9930000 0.7793850
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S 1
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1 1.5690000 1.0000000
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S 1
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1 0.5800000 1.0000000
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S 1
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1 0.1923000 1.0000000
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P 4
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1 35.9100000 0.0169160
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2 8.4800000 0.1022000
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3 2.7060000 0.3381340
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4 0.9921000 0.6692810
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P 1
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1 0.3727000 1.0000000
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P 1
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1 0.1346000 1.0000000
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OXYGEN
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S 6
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1 18050.0000000 0.0007570
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2 2660.0000000 0.0060660
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3 585.7000000 0.0327820
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4 160.9000000 0.1326090
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5 51.1600000 0.3968390
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6 17.9000000 0.5425720
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S 2
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1 17.9000000 0.2624900
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2 6.6390000 0.7698280
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S 1
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1 2.0770000 1.0000000
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S 1
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1 0.7736000 1.0000000
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S 1
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1 0.2558000 1.0000000
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P 4
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1 49.8300000 0.0163580
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2 11.4900000 0.1064530
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3 3.6090000 0.3493020
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4 1.3210000 0.6571830
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P 1
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1 0.4821000 1.0000000
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P 1
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1 0.1651000 1.0000000
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FLUORINE
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S 6
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1 23340.0000000 0.0007570
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2 3431.0000000 0.0060810
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3 757.7000000 0.0326360
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4 209.2000000 0.1317040
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5 66.7300000 0.3962400
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6 23.3700000 0.5436720
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S 2
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1 23.3700000 0.2648930
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2 8.6240000 0.7679250
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S 1
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1 2.6920000 1.0000000
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S 1
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1 1.0090000 1.0000000
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S 1
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1 0.3312000 1.0000000
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P 4
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1 65.6600000 0.0160370
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2 15.2200000 0.1056970
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3 4.7880000 0.3502270
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4 1.7320000 0.6581950
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P 1
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1 0.6206000 1.0000000
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P 1
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1 0.2070000 1.0000000
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NEON
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S 6
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1 28660.0000000 0.0007670
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2 4263.0000000 0.0060680
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3 946.8000000 0.0324740
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4 261.5000000 0.1314680
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5 83.3400000 0.3977230
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6 29.1700000 0.5424910
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S 2
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1 29.1700000 0.2690650
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2 10.7600000 0.7641210
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S 1
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1 3.3430000 1.0000000
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S 1
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1 1.2410000 1.0000000
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S 1
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1 0.4063000 1.0000000
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P 4
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1 84.8400000 0.0155500
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2 19.7100000 0.1030110
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3 6.2190000 0.3492150
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4 2.2110000 0.6628390
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P 1
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1 0.7853000 1.0000000
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P 1
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1 0.2566000 1.0000000
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