mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-18 19:32:20 +01:00
342 lines
9.8 KiB
Plaintext
342 lines
9.8 KiB
Plaintext
HYDROGEN
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S 3
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1 19.2384000 0.0328280
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2 2.8987000 0.2312040
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3 0.6535000 0.8172260
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S 1
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1 0.1776000 1.0000000
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S 1
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1 0.0498000 1.0000000
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P 1
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1 0.3560000 1.0000000
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CARBON
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S 7
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1 4233.0000000 0.0012200
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2 634.9000000 0.0093420
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3 146.1000000 0.0454520
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4 42.5000000 0.1546570
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5 14.1900000 0.3588660
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6 5.1480000 0.4386320
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7 1.9670000 0.1459180
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S 2
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1 5.1480000 -0.1683670
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2 0.4962000 1.0600910
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S 1
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1 0.1533000 1.0000000
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P 4
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1 18.1600000 0.0185390
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2 3.9860000 0.1154360
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3 1.1430000 0.3861880
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4 0.3594000 0.6401140
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P 1
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1 0.1146000 1.0000000
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P 1
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1 0.0311000 1.0000000
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D 1
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1 0.5870000 1.0000000
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NITROGEN
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S 7
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1 5909.0000000 0.0011900
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2 887.5000000 0.0090990
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3 204.7000000 0.0441450
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4 59.8400000 0.1504640
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5 20.0000000 0.3567410
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6 7.1930000 0.4465330
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7 2.6860000 0.1456030
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S 2
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1 7.1930000 -0.1604050
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2 0.7000000 1.0582150
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S 1
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1 0.2133000 1.0000000
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P 4
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1 26.7900000 0.0182540
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2 5.9560000 0.1164610
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3 1.7070000 0.3901780
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4 0.5314000 0.6371020
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P 1
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1 0.1654000 1.0000000
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P 1
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1 0.0533000 1.0000000
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D 1
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1 0.7360000 1.0000000
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OXYGEN
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S 7
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1 7817.0000000 0.0011760
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2 1176.0000000 0.0089680
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3 273.2000000 0.0428680
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4 81.1700000 0.1439300
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5 27.1800000 0.3556300
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6 9.5320000 0.4612480
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7 3.4140000 0.1402060
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S 2
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1 9.5320000 -0.1541530
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2 0.9398000 1.0569140
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S 1
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1 0.2846000 1.0000000
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P 4
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1 35.1800000 0.0195800
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2 7.9040000 0.1242000
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3 2.3050000 0.3947140
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4 0.7171000 0.6273760
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P 1
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1 0.2137000 1.0000000
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P 1
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1 0.0673000 1.0000000
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D 1
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1 0.9610000 1.0000000
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FLUORINE
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S 7
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1 9995.0000000 0.0011600
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2 1506.0000000 0.0088700
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3 350.3000000 0.0423800
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4 104.1000000 0.1429290
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5 34.8400000 0.3553720
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6 12.2200000 0.4620850
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7 4.3690000 0.1408480
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S 2
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1 12.2200000 -0.1484520
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2 1.2080000 1.0552700
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S 1
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1 0.3634000 1.0000000
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P 4
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1 44.3600000 0.0208760
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2 10.0800000 0.1301070
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3 2.9960000 0.3961660
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4 0.9383000 0.6204040
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P 1
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1 0.2733000 1.0000000
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P 1
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1 0.0737000 1.0000000
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D 1
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1 1.5770000 1.0000000
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SILICON
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S 2
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1 1.2220000 -0.5707339
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2 0.2595000 1.2823826
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S 1
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1 0.0931000 1.0000000
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P 2
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1 2.5800000 -0.0777250
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2 0.2984000 1.0197870
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P 1
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1 0.0885000 1.0000000
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P 1
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1 0.0237000 1.0000000
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D 1
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1 0.2960000 1.0000000
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PHOSPHORUS
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S 2
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1 1.5160000 -0.5862089
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2 0.3369000 1.2994376
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S 1
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1 0.1211000 1.0000000
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P 2
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1 3.7050000 -0.0691472
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2 0.3934000 1.0161988
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P 1
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1 0.1190000 1.0000000
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P 1
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1 0.0298000 1.0000000
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D 1
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1 0.3640000 1.0000000
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SULFUR
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S 2
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1 1.8500000 -0.5324335
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2 0.4035000 1.2763801
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S 1
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1 0.1438000 1.0000000
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P 2
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1 4.9450000 -0.0608116
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2 0.4870000 1.0132686
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P 1
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1 0.1379000 1.0000000
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P 1
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1 0.0347000 1.0000000
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D 1
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1 0.4960000 1.0000000
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CHLORINE
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S 2
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1 2.2310000 -0.4900589
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2 0.4720000 1.2542684
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S 1
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1 0.1631000 1.0000000
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P 2
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1 6.2960000 -0.0635641
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2 0.6333000 1.0141355
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P 1
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1 0.1819000 1.0000000
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P 1
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1 0.0467000 1.0000000
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D 1
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1 0.6480000 1.0000000
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GERMANIUM
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S 2
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1 0.8935000 -2.1756591
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2 0.4424000 2.4493467
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S 1
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1 0.1162000 1.0000000
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P 2
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1 1.8770000 -0.1006779
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2 0.2623000 1.0306256
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P 1
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1 0.0798000 1.0000000
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P 1
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1 0.0209000 1.0000000
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D 1
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1 0.2460000 1.0000000
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ARSENIC
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S 2
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1 0.9635000 -2.6709549
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2 0.5427000 2.9387892
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S 1
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1 0.1407000 1.0000000
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P 2
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1 2.0840000 -0.1137100
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2 0.3224000 1.0380266
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P 1
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1 0.1020000 1.0000000
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P 1
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1 0.0263000 1.0000000
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D 1
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1 0.2860000 1.0000000
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SELENIUM
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S 2
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1 1.0330000 -3.3224095
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2 0.6521000 3.6003462
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S 1
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1 0.1660000 1.0000000
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P 2
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1 2.3660000 -0.1185522
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2 0.3833000 1.0414320
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P 1
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1 0.1186000 1.0000000
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P 1
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1 0.0328000 1.0000000
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D 1
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1 0.3630000 1.0000000
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BROMINE
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S 2
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1 1.1590000 -3.0378769
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2 0.7107000 3.3703735
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S 1
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1 0.1905000 1.0000000
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P 2
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1 2.6910000 -0.1189800
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2 0.4446000 1.0424471
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P 1
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1 0.1377000 1.0000000
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P 1
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1 0.0376000 1.0000000
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D 1
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1 0.4340000 1.0000000
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TIN
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S 2
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1 0.5418000 -4.2089644
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2 0.3784000 4.5198368
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S 1
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1 0.0926000 1.0000000
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P 2
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1 1.0470000 -0.1417678
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2 0.1932000 1.0554488
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P 1
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1 0.0630000 1.0000000
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P 1
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1 0.0174000 1.0000000
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D 1
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1 0.1860000 1.0000000
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ANTIMONY
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S 2
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1 0.5863000 -4.7537662
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2 0.4293000 5.1096593
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S 1
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1 0.1078000 1.0000000
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P 2
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1 1.1110000 -0.1811707
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2 0.2365000 1.0791649
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P 1
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1 0.0800000 1.0000000
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P 1
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1 0.0220000 1.0000000
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D 1
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1 0.2070000 1.0000000
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TELLURIUM
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S 2
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1 0.6938000 -2.4115013
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2 0.4038000 2.9179976
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S 1
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1 0.1165000 1.0000000
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P 2
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1 1.2310000 -0.1923340
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2 0.2756000 1.0876382
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P 1
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1 0.0911000 1.0000000
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P 1
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1 0.0274000 1.0000000
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D 1
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1 0.2500000 1.0000000
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IODINE
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S 2
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1 0.7242000 -2.9731048
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2 0.4653000 3.4827643
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S 1
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1 0.1336000 1.0000000
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P 2
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1 1.2900000 -0.2092377
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2 0.3180000 1.1035347
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P 1
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1 0.1053000 1.0000000
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P 1
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1 0.0308000 1.0000000
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D 1
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1 0.2940000 1.0000000
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LEAD
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S 2
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1 0.5135000 -4.3675036
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2 0.3756000 4.8504656
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S 1
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1 0.0944000 1.0000000
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P 2
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1 0.8748000 -0.1793128
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2 0.1843000 1.0776505
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P 1
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1 0.0598000 1.0000000
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P 1
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1 0.0168000 1.0000000
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D 1
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1 0.1790000 1.0000000
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BISMUTH
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S 2
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1 0.5744000 -3.2278875
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2 0.3851000 3.7637689
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S 1
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1 0.1050000 1.0000000
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P 2
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1 0.9105000 -0.2164189
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2 0.2194000 1.1041867
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P 1
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1 0.0745000 1.0000000
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P 1
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1 0.0204000 1.0000000
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D 1
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1 0.1920000 1.0000000
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