mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-09 07:33:49 +01:00
242 lines
6.6 KiB
Plaintext
242 lines
6.6 KiB
Plaintext
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SODIUM
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S 3
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1 547.6130000 0.0674911
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2 82.0678000 0.3935050
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3 17.6917000 0.6656050
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S 3
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1 17.5407000 -0.1119370
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2 3.7939800 0.2546540
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3 0.9064410 0.8444170
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P 3
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1 17.5407000 0.1282330
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2 3.7939800 0.4715330
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3 0.9064410 0.6042730
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S 2
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1 0.5018240 -0.2196600
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2 0.0609458 1.0891200
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P 2
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1 0.5018240 0.0090665
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2 0.0609458 0.9972020
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S 1
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1 0.0244349 1.0000000
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P 1
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1 0.0244349 1.0000000
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S 1
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1 0.0076000 1.0000000
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P 1
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1 0.0076000 1.0000000
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D 1
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1 0.1750000 1.0000000
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MAGNESIUM
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S 3
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1 652.8410000 0.0675982
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2 98.3805000 0.3917780
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3 21.2996000 0.6666610
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S 3
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1 23.3727000 -0.1102460
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2 5.1995300 0.1841190
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3 1.3150800 0.8963990
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P 3
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1 23.3727000 0.1210140
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2 5.1995300 0.4628100
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3 1.3150800 0.6069070
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S 2
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1 0.6113490 -0.3611010
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2 0.1418410 1.2150500
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P 2
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1 0.6113490 0.0242633
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2 0.1418410 0.9866730
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S 1
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1 0.0464011 1.0000000
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P 1
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1 0.0464011 1.0000000
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S 1
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1 0.0146000 1.0000000
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P 1
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1 0.0146000 1.0000000
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D 1
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1 0.1750000 1.0000000
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ALUMINUM
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S 3
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1 775.7370000 0.0668347
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2 116.9520000 0.3890610
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3 25.3326000 0.6694680
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S 3
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1 29.4796000 -0.1079020
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2 6.6331400 0.1462450
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3 1.7267500 0.9237300
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P 3
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1 29.4796000 0.1175740
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2 6.6331400 0.4611740
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3 1.7267500 0.6055350
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S 2
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1 0.9461600 -0.3203270
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2 0.2025060 1.1841200
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P 2
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1 0.9461600 0.0519383
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2 0.2025060 0.9726600
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S 1
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1 0.0639088 1.0000000
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P 1
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1 0.0639088 1.0000000
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S 1
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1 0.0318000 1.0000000
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P 1
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1 0.0318000 1.0000000
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D 1
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1 0.3250000 1.0000000
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SILICON
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S 3
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1 910.6550000 0.0660823
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2 137.3360000 0.3862290
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3 29.7601000 0.6723800
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S 3
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1 36.6716000 -0.1045110
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2 8.3172900 0.1074100
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3 2.2164500 0.9514460
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P 3
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1 36.6716000 0.1133550
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2 8.3172900 0.4575780
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3 2.2164500 0.6074270
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S 2
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1 1.0791300 -0.3761080
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2 0.3024220 1.2516500
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P 2
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1 1.0791300 0.0671030
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2 0.3024220 0.9568830
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S 1
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1 0.0933392 1.0000000
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P 1
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1 0.0933392 1.0000000
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S 1
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1 0.0331000 1.0000000
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P 1
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1 0.0331000 1.0000000
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D 1
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1 0.4500000 1.0000000
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PHOSPHORUS
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S 3
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1 1054.9000000 0.0655410
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2 159.1950000 0.3840360
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3 34.5304000 0.6745410
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S 3
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1 44.2866000 -0.1021300
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2 10.1019000 0.0815920
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3 2.7399700 0.9697880
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P 3
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1 44.2866000 0.1108510
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2 10.1019000 0.4564950
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3 2.7399700 0.6069360
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S 2
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1 1.2186500 -0.3714950
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2 0.3955460 1.2709900
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P 2
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1 1.2186500 0.0915820
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2 0.3955460 0.9349240
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S 1
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1 0.1228110 1.0000000
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P 1
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1 0.1228110 1.0000000
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S 1
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1 0.0348000 1.0000000
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P 1
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1 0.0348000 1.0000000
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D 1
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1 0.5500000 1.0000000
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SULFUR
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S 3
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1 1210.6200000 0.0650070
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2 182.7470000 0.3820400
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3 39.6673000 0.6765450
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S 3
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1 52.2236000 -0.1003100
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2 11.9629000 0.0650880
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3 3.2891100 0.9814550
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P 3
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1 52.2236000 0.1096460
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2 11.9629000 0.4576490
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3 3.2891100 0.6042610
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S 2
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1 1.2238400 -0.2860890
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2 0.4573030 1.2280600
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P 2
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1 1.2238400 0.1647770
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2 0.4573030 0.8708550
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S 1
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1 0.1422690 1.0000000
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P 1
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1 0.1422690 1.0000000
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S 1
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1 0.0405000 1.0000000
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P 1
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1 0.0405000 1.0000000
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D 1
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1 0.6500000 1.0000000
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CHLORINE
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S 3
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1 1376.4000000 0.0645827
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2 207.8570000 0.3803630
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3 45.1554000 0.6781900
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S 3
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1 60.8014000 -0.0987639
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2 13.9765000 0.0511338
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3 3.8871000 0.9913370
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P 3
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1 60.8014000 0.1085980
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2 13.9765000 0.4586820
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3 3.8871000 0.6019620
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S 2
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1 1.3529900 -0.2224010
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2 0.5269550 1.1825200
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P 2
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1 1.3529900 0.2192160
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2 0.5269550 0.8223210
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S 1
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1 0.1667140 1.0000000
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P 1
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1 0.1667140 1.0000000
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S 1
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1 0.0483000 1.0000000
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P 1
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1 0.0483000 1.0000000
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D 1
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1 0.7500000 1.0000000
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ARGON
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S 3
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1 1553.7100000 0.0641707
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2 234.6780000 0.3787970
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3 51.0121000 0.6797520
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S 3
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1 70.0453000 -0.0974661
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2 16.1473000 0.0390569
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3 4.5349200 0.9999160
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P 3
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1 70.0453000 0.1076190
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2 16.1473000 0.4595760
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3 4.5349200 0.6000410
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S 2
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1 1.5420900 -0.1768660
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2 0.6072670 1.1469000
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P 2
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1 1.5420900 0.2556870
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2 0.6072670 0.7898420
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S 1
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1 0.1953730 1.0000000
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P 1
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1 0.1953730 1.0000000
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S 1
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1 0.0600000 1.0000000
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P 1
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1 0.0600000 1.0000000
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D 1
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1 0.8500000 1.0000000
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