mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 18:13:51 +01:00
332 lines
11 KiB
Plaintext
332 lines
11 KiB
Plaintext
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HYDROGEN
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S 3
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1 50.9991780 0.0096605
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2 7.4832181 0.0737289
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3 1.7774676 0.2958581
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S 1
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1 0.5193295 1.0000000
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S 1
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1 0.1541100 1.0000000
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P 1
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1 0.7500000 1.0000000
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CARBON
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S 7
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1 5784.1571000 0.0008190
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2 869.3035000 0.0062935
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3 198.5116400 0.0317812
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4 56.4299010 0.1172734
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5 18.2854570 0.3034763
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6 6.4487146 0.4535214
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7 2.3418596 0.2430591
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S 1
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1 5.4595328 1.0000000
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S 1
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1 0.4781968 1.0000000
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S 1
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1 0.1457301 1.0000000
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P 4
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1 34.2585630 0.0058043
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2 7.8638954 0.0406403
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3 2.3445193 0.1550219
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4 0.7961715 0.3531444
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P 1
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1 0.2726804 1.0000000
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P 1
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1 0.0892605 1.0000000
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D 1
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1 0.6000000 1.0000000
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NITROGEN
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S 7
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1 8104.1761000 0.0007969
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2 1217.3138000 0.0061289
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3 277.7399300 0.0310471
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4 78.8475980 0.1153682
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5 25.5371610 0.3025738
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6 9.0045711 0.4557913
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7 3.2835278 0.2430208
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S 1
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1 7.8493573 1.0000000
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S 1
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1 0.6862239 1.0000000
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S 1
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1 0.2035026 1.0000000
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P 4
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1 49.0146080 -0.0059007
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2 11.3166710 -0.0416444
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3 3.4034053 -0.1610249
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4 1.1611107 -0.3583538
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P 1
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1 0.3953358 1.0000000
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P 1
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1 0.1268981 1.0000000
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D 1
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1 0.7000000 1.0000000
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OXYGEN
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S 7
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1 10814.4020000 0.0007809
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2 1623.7532000 0.0060102
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3 370.1827400 0.0305222
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4 104.9747500 0.1140089
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5 33.9844220 0.3019574
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6 11.9843120 0.4571107
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7 4.3859704 0.2432478
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S 1
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1 10.6300340 1.0000000
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S 1
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1 0.9398526 1.0000000
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S 1
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1 0.2766213 1.0000000
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P 4
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1 61.5442180 0.0066238
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2 14.2761940 0.0464642
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3 4.3317679 0.1744229
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4 1.4766043 0.3666115
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P 1
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1 0.4959857 1.0000000
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P 1
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1 0.1544836 1.0000000
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D 1
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1 0.8000000 1.0000000
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FLUORINE
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S 7
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1 13652.1010000 0.0007873
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2 2050.2870000 0.0060550
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3 467.6871200 0.0307289
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4 132.7635000 0.1146453
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5 43.0763810 0.3037706
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6 15.2288280 0.4573067
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7 5.6051180 0.2395779
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S 1
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1 13.8479360 1.0000000
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S 1
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1 1.2266886 1.0000000
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S 1
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1 0.3574564 1.0000000
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P 4
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1 78.9617520 0.0067827
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2 18.3478800 0.0478976
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3 5.5871888 0.1793841
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4 1.9018474 0.3692989
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P 1
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1 0.6333652 1.0000000
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P 1
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1 0.1933455 1.0000000
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D 1
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1 1.0000000 1.0000000
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ALUMINUM
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S 7
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1 36088.1520000 0.0005976
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2 5334.3620000 0.0047091
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3 1199.0892000 0.0245538
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4 334.0744700 0.0967110
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5 106.1290600 0.2768191
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6 36.8828020 0.4645259
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7 13.3326880 0.2814003
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S 3
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1 30.1581280 0.0877714
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2 2.9732774 -0.5715000
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3 1.0163812 -0.5066880
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S 1
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1 1.4907612 1.0000000
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S 1
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1 0.1693572 1.0000000
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S 1
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1 0.0617897 1.0000000
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P 6
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1 286.9581500 0.0035185
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2 66.1673080 0.0283355
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3 20.3217950 0.1262028
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4 7.0858235 0.3283870
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5 2.5222104 0.4712921
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6 0.8630686 0.2733518
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P 1
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1 0.3761255 1.0000000
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P 1
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1 0.1266286 1.0000000
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P 1
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1 0.0426843 1.0000000
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D 1
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1 0.3000000 1.0000000
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SILICON
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S 7
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1 42393.9270000 -0.0005895
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2 6264.1129000 -0.0046483
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3 1407.8552000 -0.0242470
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4 392.2039600 -0.0956786
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5 124.6268800 -0.2748168
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6 43.3672480 -0.4640238
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7 15.7102370 -0.2847122
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S 3
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1 35.2235690 0.0900852
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2 3.5517236 -0.5764525
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3 1.2528818 -0.5002972
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S 1
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1 1.9452047 1.0000000
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S 1
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1 0.2368547 1.0000000
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S 1
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1 0.0859243 1.0000000
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P 6
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1 368.5214700 0.0031446
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2 83.6558130 0.0262447
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3 25.6576850 0.1196279
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4 8.9925564 0.3209705
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5 3.2480686 0.4750237
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6 1.1380729 0.2774066
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P 1
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1 0.5284094 1.0000000
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P 1
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1 0.1831337 1.0000000
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P 1
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1 0.0625550 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 7
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1 48863.3540000 -0.0005865
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2 7253.0457000 -0.0046008
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3 1632.6022000 -0.0239864
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4 454.9823000 -0.0947864
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5 144.6226000 -0.2730769
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6 50.3827230 -0.4635665
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7 18.2866900 -0.2875813
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S 3
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1 40.7125200 0.0921010
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2 4.1800189 -0.5820485
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3 1.5111173 -0.4937273
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S 1
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1 2.4442465 1.0000000
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S 1
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1 0.3116418 1.0000000
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S 1
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1 0.1120119 1.0000000
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P 6
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1 435.2945700 -0.0030635
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2 101.3544900 -0.0248674
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3 31.4116590 -0.1147112
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4 11.0759770 -0.3153050
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5 4.0461809 -0.4779211
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6 1.4423814 -0.2800161
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P 1
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1 0.7002308 1.0000000
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P 1
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1 0.2448107 1.0000000
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P 1
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1 0.0829896 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 7
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1 56415.5800000 -0.0005778
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2 8345.2689000 -0.0045513
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3 1876.3041000 -0.0237472
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4 522.7321600 -0.0939807
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5 166.1749100 -0.2715021
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6 57.9454220 -0.4631538
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7 21.0667450 -0.2901939
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S 3
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1 46.6193150 -0.0938901
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2 4.8598910 0.5877892
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3 1.7911819 0.4873486
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S 1
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1 2.9765954 1.0000000
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S 1
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1 0.3942261 1.0000000
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S 1
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1 0.1416732 1.0000000
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P 6
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1 520.4203400 -0.0029302
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2 120.4299700 -0.0241101
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3 37.3906240 -0.1121763
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4 13.2484500 -0.3123067
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5 4.8881277 -0.4801109
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6 1.7649320 -0.2793977
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P 1
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1 0.8892067 1.0000000
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P 1
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1 0.3103283 1.0000000
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P 1
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1 0.1030676 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 7
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1 63923.6260000 -0.0005741
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2 9525.9870000 -0.0044851
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3 2146.3116000 -0.0233937
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4 598.0274100 -0.0928049
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5 190.0285500 -0.2693196
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6 66.2619630 -0.4629613
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7 24.0966080 -0.2937123
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S 3
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1 52.9332530 0.0954770
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2 5.5923080 -0.5930161
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3 2.0939560 -0.4816896
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S 1
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1 3.5576859 1.0000000
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S 1
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1 0.4847469 1.0000000
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S 1
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1 0.1733046 1.0000000
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P 6
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1 583.2011500 -0.0030511
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2 135.4472500 -0.0249121
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3 42.3356250 -0.1147106
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4 15.1542700 -0.3147476
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5 5.6830677 -0.4781012
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6 2.0902390 -0.2717695
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P 1
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1 1.0979970 1.0000000
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P 1
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1 0.3822761 1.0000000
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P 1
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1 0.1249985 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 7
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1 71235.4630000 -0.0005786
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2 10643.4330000 -0.0045044
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3 2402.5448000 -0.0234452
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4 670.3890600 -0.0928603
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5 213.3600100 -0.2691955
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6 74.5580880 -0.4623268
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7 27.1996410 -0.2939969
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S 3
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1 59.6961980 0.0968550
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2 6.3703543 -0.5988462
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3 2.4160646 -0.4755397
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S 1
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1 4.1865047 1.0000000
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S 1
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1 0.5830501 1.0000000
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S 1
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1 0.2070069 1.0000000
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P 6
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1 699.4256400 0.0027769
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2 163.5830400 0.0227069
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3 51.1460160 0.1073837
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4 18.2560580 0.3060700
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5 6.8415056 0.4829578
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6 2.5182546 0.2816344
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P 1
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1 1.3256352 1.0000000
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P 1
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1 0.4621947 1.0000000
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P 1
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1 0.1503712 1.0000000
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D 1
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1 0.8500000 1.0000000
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