mirror of
https://github.com/QuantumPackage/qp2.git
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1312 lines
48 KiB
Plaintext
1312 lines
48 KiB
Plaintext
LITHIUM
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S 6
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1 6269.2628010 0.20540968826E-03
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2 940.31612431 0.15916554089E-02
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3 214.22107528 0.82869829707E-02
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4 60.759840184 0.33856374249E-01
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5 19.915152032 0.11103225876
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6 7.3171509797 0.27449383329
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S 2
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1 2.9724674216 0.23792456411
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2 1.2639852314 0.30765411924
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S 1
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1 0.51427489953 1.0000000
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S 1
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1 0.077030885901 1.0000000
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S 1
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1 0.028938896433 1.0000000
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BERYLLIUM
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S 6
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1 4700.2365626 0.23584389316E-03
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2 704.82845622 0.18243791019E-02
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3 160.43110478 0.93966148224E-02
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4 45.425347336 0.36908924159E-01
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5 14.798334125 0.10897561281
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6 5.3512452537 0.21694284551
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S 2
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1 2.1542044819 0.44695408857
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2 0.9336374440 0.20866985771
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S 1
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1 0.18791432989 1.0000000
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S 1
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1 0.74648267947 1.0000000
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S 1
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1 0.032650484598 1.0000000
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BORON
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S 6
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1 8564.8660687 0.22837198155E-03
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2 1284.1516263 0.17682576447E-02
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3 292.27871604 0.91407080516E-02
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4 82.775469176 0.36342638989E-01
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5 27.017939269 0.11063458441
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6 9.8149619660 0.23367344321
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S 2
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1 3.9318559059 0.41818777978
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2 1.6595599712 0.22325473798
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S 1
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1 0.35762965239 1.0000000
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S 1
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1 0.14246277496 1.0000000
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S 1
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1 0.060560594768 1.0000000
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P 4
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1 22.453875803 0.50265575179E-02
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2 5.1045058330 0.32801738965E-01
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3 1.4986081344 0.13151230768
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4 0.50927831315 0.33197167769
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P 1
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1 0.18147077798 1.0000000
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P 1
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1 0.064621893904 1.0000000
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CARBON
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S 6
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1 13575.3496820 0.22245814352E-03
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2 2035.2333680 0.17232738252E-02
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3 463.22562359 0.89255715314E-02
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4 131.20019598 0.35727984502E-01
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5 42.853015891 0.11076259931
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6 15.584185766 0.24295627626
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S 2
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1 6.2067138508 0.41440263448
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2 2.5764896527 0.23744968655
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S 1
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1 0.57696339419 1.0000000
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S 1
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1 0.22972831358 1.0000000
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S 1
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1 0.095164440028 1.0000000
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P 4
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1 34.697232244 0.53333657805E-02
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2 7.9582622826 0.35864109092E-01
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3 2.3780826883 0.14215873329
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4 0.81433208183 0.34270471845
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P 1
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1 0.28887547253 1.0000000
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P 1
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1 0.10056823671 1.0000000
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NITROGEN
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S 6
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1 19730.8006470 0.21887984991E-03
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2 2957.8958745 0.16960708803E-02
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3 673.22133595 0.87954603538E-02
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4 190.68249494 0.35359382605E-01
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5 62.295441898 0.11095789217
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6 22.654161182 0.24982972552
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S 2
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1 8.9791477428 0.40623896148
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2 3.6863002370 0.24338217176
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S 1
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1 0.84660076805 1.0000000
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S 1
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1 0.33647133771 1.0000000
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S 1
|
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1 0.13647653675 1.0000000
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P 4
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1 49.200380510 0.55552416751E-02
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2 11.346790537 0.38052379723E-01
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3 3.4273972411 0.14953671029
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4 1.1785525134 0.34949305230
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P 1
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1 0.41642204972 1.0000000
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P 1
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1 0.14260826011 1.0000000
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OXYGEN
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S 6
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1 27032.3826310 0.21726302465E-03
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2 4052.3871392 0.16838662199E-02
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3 922.32722710 0.87395616265E-02
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4 261.24070989 0.35239968808E-01
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5 85.354641351 0.11153519115
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6 31.035035245 0.25588953961
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S 2
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1 12.260860728 0.39768730901
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2 4.9987076005 0.24627849430
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S 1
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1 1.1703108158 1.0000000
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S 1
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1 0.46474740994 1.0000000
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S 1
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1 0.18504536357 1.0000000
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P 4
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1 63.274954801 0.60685103418E-02
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2 14.627049379 0.41912575824E-01
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3 4.4501223456 0.16153841088
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4 1.5275799647 0.35706951311
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P 1
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1 0.52935117943 1.0000000
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P 1
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1 0.17478421270 1.0000000
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FLUORINE
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S 6
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1 35479.1004410 0.21545014888E-03
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2 5318.4728983 0.16700686527E-02
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3 1210.4810975 0.86733211476E-02
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4 342.85518140 0.35049933175E-01
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5 112.01943181 0.11165320133
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6 40.714740248 0.25988506647
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S 2
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1 16.039678111 0.39422966880
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2 6.5038186740 0.24998238551
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S 1
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1 1.5440477509 1.0000000
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S 1
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1 0.61223452862 1.0000000
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S 1
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1 0.24027979698 1.0000000
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P 4
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1 80.233900483 0.63685999134E-02
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2 18.594010743 0.44303143530E-01
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3 5.6867902653 0.16867248708
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4 1.9511006294 0.36166346255
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P 1
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1 0.66970211298 1.0000000
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P 1
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1 0.21651300410 1.0000000
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NEON
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S 6
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1 45069.4640220 0.21687155182E-03
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2 6755.9768656 0.16812736757E-02
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3 1537.6502864 0.87356062782E-02
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4 435.51697667 0.35361266922E-01
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5 142.28655638 0.11321521454
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6 51.692153804 0.26654653104
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S 2
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1 20.315870490 0.39631959951
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2 8.2021942646 0.25582811251
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S 1
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1 1.9681276278 1.0000000
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S 1
|
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1 0.77904756001 1.0000000
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S 1
|
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1 0.30229502043 1.0000000
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P 4
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1 99.782996032 0.65569234163E-02
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2 23.176124101 0.45888009138E-01
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3 7.1163945872 0.17331287812
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4 2.4418711435 0.36475267512
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P 1
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1 0.83389605766 1.0000000
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P 1
|
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1 0.26607311301 1.0000000
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SODIUM
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S 7
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1 26041.1099270 0.61806342811E-03
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2 3906.1268548 0.47748604414E-02
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3 888.97454993 0.24471684829E-01
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4 251.45497961 0.94755394977E-01
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5 81.650143512 0.26867496920
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6 28.904158401 0.47925475440
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7 10.625782932 0.33248591469
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S 3
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1 53.769410179 0.19527731872E-01
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2 16.308243025 0.92648010794E-01
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3 2.3730384125 -0.39938670172
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S 2
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1 0.95730772603 1.6428595391
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2 0.40806460959 0.55692596966
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S 1
|
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1 0.049967582329 1.0000000
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S 1
|
|
1 0.019268616250 1.0000000
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P 5
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1 138.07979989 0.57951891929E-02
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2 32.232700393 0.41620846251E-01
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3 9.9816075360 0.16281916885
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4 3.4822033928 0.36011784647
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5 1.2299134620 0.44858979889
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P 1
|
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1 0.41743959423 1.0000000
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MAGNESIUM
|
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S 7
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1 31438.3495550 0.60912311326E-03
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2 4715.5153354 0.47066196465E-02
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3 1073.1629247 0.24135820657E-01
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4 303.57238768 0.93628959834E-01
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5 98.626251042 0.26646742093
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6 34.943808417 0.47890929917
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7 12.859785199 0.33698490286
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S 3
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1 64.876913004 0.19180889307E-01
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2 19.725520777 0.90913704392E-01
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3 2.8951804339 -0.39563756125
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S 2
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1 1.1960454710 1.6827603373
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2 0.54329451156 0.52141091954
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S 1
|
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1 0.10099104092 1.0000000
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S 1
|
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1 0.036865728085 1.0000000
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P 5
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1 179.87189612 0.53799549018E-02
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2 42.120069376 0.39318014098E-01
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3 13.120503032 0.15740129476
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4 4.6257503609 0.35919094128
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5 1.6695211016 0.45533379310
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P 1
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1 0.58551012105 1.0000000
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ALUMINUM
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S 7
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1 37792.5507720 0.57047888709E-03
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2 5668.0682165 0.44093016538E-02
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3 1289.8582841 0.22630967411E-01
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4 364.86596028 0.88025644295E-01
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5 118.57631515 0.25223701612
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6 42.024867605 0.45960547169
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7 15.499501629 0.33277886014
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S 3
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1 75.208026598 0.19250560190E-01
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2 23.031408972 0.87906743952E-01
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3 3.6348797649 -0.34246704535
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S 2
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1 1.6065049957 1.5106266058
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2 0.76103394581 0.58071016470
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S 1
|
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1 0.16556708849 1.0000000
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S 1
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1 0.060041577113 1.0000000
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P 6
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1 452.52303192 0.23110812466E-02
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2 107.08195049 0.18568641823E-01
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3 34.131021255 0.87216237035E-01
|
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4 12.587037428 0.26902101523
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5 4.9811919704 0.52128324272
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6 2.0070350900 0.60271687494
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P 1
|
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1 0.80083714374 1.0000000
|
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P 1
|
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1 0.20178927472 1.0000000
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P 1
|
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1 0.057895550392 1.0000000
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|
|
SILICON
|
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S 7
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1 44773.3580780 0.55914765868E-03
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2 6717.1992104 0.43206040189E-02
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3 1528.8960325 0.22187096460E-01
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4 432.54746585 0.86489249116E-01
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5 140.61505226 0.24939889716
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6 49.857636724 0.46017197366
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7 18.434974885 0.34250236575
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S 3
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1 86.533886111 0.21300063007E-01
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2 26.624606846 0.94676139318E-01
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3 4.4953057159 -0.32616264859
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S 2
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1 2.1035045710 1.3980803850
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2 1.0106094922 0.63865786699
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S 1
|
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1 0.23701751489 1.0000000
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S 1
|
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1 0.085703405362 1.0000000
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P 6
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1 394.47503628 0.26285693959E-02
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2 93.137683104 0.20556257749E-01
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3 29.519608742 0.92070262801E-01
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4 10.781663791 0.25565889739
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5 4.1626574778 0.42111707185
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6 1.6247972989 0.34401746318
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P 1
|
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1 0.54306660493 1.0000000
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P 1
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1 0.20582073956 1.0000000
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P 1
|
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1 0.070053487306 1.0000000
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PHOSPHORUS
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S 7
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1 52426.9992330 0.55207164100E-03
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2 7863.2660552 0.42678595308E-02
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3 1789.5227333 0.21931529186E-01
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4 506.27300165 0.85667168373E-01
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5 164.60698546 0.24840686605
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6 58.391918722 0.46336753971
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7 21.643663201 0.35350558156
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S 3
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1 99.013837620 0.21895679958E-01
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2 30.550439817 0.95650470295E-01
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3 5.4537087661 -0.29454270186
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S 2
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1 2.6503362563 1.3294381200
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2 1.2726688867 0.66109396473
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S 1
|
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1 0.31645005203 1.0000000
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S 1
|
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1 0.11417466938 1.0000000
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P 6
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1 472.27219248 0.25710623052E-02
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2 111.58882756 0.20250297999E-01
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3 35.445936418 0.91580716787E-01
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4 12.990776875 0.25749454014
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5 5.0486221658 0.42862899758
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6 1.9934049566 0.34359817849
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P 1
|
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1 0.66527284430 1.0000000
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P 1
|
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1 0.25516832128 1.0000000
|
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P 1
|
|
1 0.090357762251 1.0000000
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|
SULFUR
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S 7
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1 60700.9281040 0.54695944225E-03
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2 9102.6106854 0.42297224557E-02
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3 2071.4166009 0.21747824159E-01
|
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4 586.02476821 0.85100053589E-01
|
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5 190.55395021 0.24799128459
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6 67.630384260 0.46703640406
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7 25.127306905 0.36434587550
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S 3
|
|
1 112.57463010 0.21670040240E-01
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2 34.795554217 0.93602301760E-01
|
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3 6.5115556215 -0.26068001422
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S 2
|
|
1 3.2399032261 1.2842089435
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2 1.5477160881 0.66036416584
|
|
S 1
|
|
1 0.40541030112 1.0000000
|
|
S 1
|
|
1 0.14550651059 1.0000000
|
|
P 6
|
|
1 564.36716027 0.24796796317E-02
|
|
2 133.42624379 0.19677930250E-01
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|
3 42.468271189 0.89980008258E-01
|
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4 15.616527580 0.25705880575
|
|
5 6.1093988469 0.43515167292
|
|
6 2.4404160198 0.34883240595
|
|
P 1
|
|
1 0.83882201296 1.0000000
|
|
P 1
|
|
1 0.31288746900 1.0000000
|
|
P 1
|
|
1 0.10770109004 1.0000000
|
|
|
|
CHLORINE
|
|
S 7
|
|
1 69507.9909450 0.54314897497E-03
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2 10426.1568800 0.41990463961E-02
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|
3 2373.2334061 0.21592141679E-01
|
|
4 671.56420071 0.84598850094E-01
|
|
5 218.41999790 0.24757249724
|
|
6 77.572249714 0.47016930228
|
|
7 28.888815277 0.37436370716
|
|
S 3
|
|
1 127.10527185 0.25182166603E-01
|
|
2 39.339582961 0.10786112456
|
|
3 7.6740679989 -0.27408821574
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|
S 2
|
|
1 3.8745627630 1.3213875014
|
|
2 1.8385832573 0.68636955368
|
|
S 1
|
|
1 0.50229057542 1.0000000
|
|
S 1
|
|
1 0.17962723420 1.0000000
|
|
P 6
|
|
1 666.50423284 0.23632663836E-02
|
|
2 157.64241690 0.18879300374E-01
|
|
3 50.262520978 0.87206341273E-01
|
|
4 18.536078105 0.25285612970
|
|
5 7.2940532777 0.43507154820
|
|
6 2.9433248995 0.35026513165
|
|
P 1
|
|
1 1.0404970818 1.0000000
|
|
P 1
|
|
1 0.38456415080 1.0000000
|
|
P 1
|
|
1 0.13069642732 1.0000000
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|
|
|
ARGON
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|
S 7
|
|
1 79111.4229980 0.51029325002E-03
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|
2 11864.7460090 0.39463036981E-02
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|
3 2700.1642973 0.20307073910E-01
|
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4 763.95943485 0.79691825214E-01
|
|
5 248.45150561 0.23420623836
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6 88.283581000 0.44833849481
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|
7 32.948607069 0.36408167400
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|
S 3
|
|
1 142.55358000 0.26387407001E-01
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|
2 44.163688009 0.11226433999
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|
3 8.9524995000 -0.26178922001
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S 2
|
|
1 4.5546920941 1.3002484998
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|
2 2.1444079001 0.67197237009
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|
S 1
|
|
1 0.60708777004 1.0000000
|
|
S 1
|
|
1 0.21651431999 1.0000000
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|
P 6
|
|
1 776.77541998 0.22028005003E-02
|
|
2 183.80107018 0.17694180008E-01
|
|
3 58.694003175 0.82431293717E-01
|
|
4 21.701591695 0.24207278863
|
|
5 8.5821489635 0.42263558251
|
|
6 3.4922679161 0.34151806086
|
|
P 1
|
|
1 1.2637426998 1.0000000
|
|
P 1
|
|
1 0.46607870005 1.0000000
|
|
P 1
|
|
1 0.15766003000 1.0000000
|
|
|
|
POTASSIUM
|
|
S 8
|
|
1 153976.1832500 0.23662636107E-03
|
|
2 23082.4976720 0.18342929137E-02
|
|
3 5253.2344745 0.95310527769E-02
|
|
4 1486.9550133 0.38638406980E-01
|
|
5 484.06333726 0.12480768502
|
|
6 173.56653980 0.29278861009
|
|
7 67.116381464 0.40633425860
|
|
8 26.339502054 0.2007721586
|
|
S 4
|
|
1 172.87693567 -0.24200960936E-01
|
|
2 53.058649063 -0.11553095040
|
|
3 7.9212753964 0.57455545175
|
|
4 3.2108880472 0.57023185107
|
|
S 2
|
|
1 4.5662070895 -0.22615763466
|
|
2 0.70209907282 0.75528392045
|
|
S 1
|
|
1 0.28258942635 1.0000000
|
|
S 1
|
|
1 0.035805824617 1.0000000
|
|
S 1
|
|
1 0.015819213245 1.0000000
|
|
P 6
|
|
1 728.18449873 0.26150689792E-02
|
|
2 172.13265061 0.20673630835E-01
|
|
3 54.829847075 0.93205603870E-01
|
|
4 20.166266494 0.25436518210
|
|
5 7.8610728806 0.39131132810
|
|
6 3.1105213132 0.22481345943
|
|
P 3
|
|
1 11.757337492 -0.25777289217E-01
|
|
2 1.5139617411 0.57359428604
|
|
3 0.58328591795 1.0798320002
|
|
P 1
|
|
1 0.21570478076 1.0000000
|
|
|
|
CALCIUM
|
|
S 8
|
|
1 172517.3268500 0.23317502546E-03
|
|
2 25861.5192750 0.18076521980E-02
|
|
3 5885.6618668 0.93943844255E-02
|
|
4 1665.9730031 0.38108409009E-01
|
|
5 542.36718148 0.12331203853
|
|
6 194.57803492 0.29004470954
|
|
7 75.303597636 0.40587151157
|
|
8 29.574062589 0.20398410743
|
|
S 4
|
|
1 191.20074660 -0.24419759759E-01
|
|
2 58.840299883 -0.11547027448
|
|
3 8.9642540845 0.56356636717
|
|
4 3.6856960541 0.56709682704
|
|
S 2
|
|
1 5.2464289726 -0.22825334325
|
|
2 0.84862621528 0.72625219172
|
|
S 1
|
|
1 0.36743300538 1.0000000
|
|
S 1
|
|
1 0.066821582613 1.0000000
|
|
S 1
|
|
1 0.026759730445 1.0000000
|
|
P 6
|
|
1 836.97262058 0.25258346092E-02
|
|
2 197.93040142 0.20076506686E-01
|
|
3 63.135558054 0.91302987366E-01
|
|
4 23.282687170 0.25247029915
|
|
5 9.1176444932 0.39426326344
|
|
6 3.6336120139 0.23011559492
|
|
P 3
|
|
1 13.494163120 -0.26495021951E-01
|
|
2 1.8139259790 0.55088108210
|
|
3 0.71981826006 1.0280616620
|
|
P 1
|
|
1 0.27629576992 1.0000000
|
|
|
|
SCANDIUM
|
|
S 8
|
|
1 191612.9187400 0.23076475942E-03
|
|
2 28723.8503630 0.17890329946E-02
|
|
3 6537.0116490 0.92990401140E-02
|
|
4 1850.3097171 0.37739438011E-01
|
|
5 602.38855156 0.12227148359
|
|
6 216.17324766 0.28814821470
|
|
7 83.712517880 0.40517543099
|
|
8 32.908707189 0.20566019623
|
|
S 4
|
|
1 211.34393234 -0.24527991462E-01
|
|
2 65.128920139 -0.11570158142
|
|
3 10.034311535 0.55995283317
|
|
4 4.1596884597 0.56087765073
|
|
S 2
|
|
1 6.0009041613 -0.22840494325
|
|
2 0.98255784150 0.71948970378
|
|
S 1
|
|
1 0.42483192773 1.0000000
|
|
S 1
|
|
1 0.077185462096 1.0000000
|
|
S 1
|
|
1 0.030147219702 1.0000000
|
|
P 6
|
|
1 947.34122823 0.24737208744E-02
|
|
2 224.09699732 0.19742967060E-01
|
|
3 71.560334882 0.90357147549E-01
|
|
4 26.444824490 0.25201602503
|
|
5 10.393798285 0.39675535929
|
|
6 4.1606304559 0.23208624517
|
|
P 3
|
|
1 15.565737135 -0.27129423974E-01
|
|
2 2.1121544865 0.55109256629
|
|
3 0.84184709021 1.0090635806
|
|
P 1
|
|
1 0.32297542652 1.0000000
|
|
D 4
|
|
1 30.989390993 0.11902837431E-01
|
|
2 8.6905465069 0.67655856850E-01
|
|
3 2.9520256337 0.21332539722
|
|
4 1.0761910745 0.38391075578
|
|
D 1
|
|
1 0.38338915095 1.0000000
|
|
D 1
|
|
1 0.12534686113 1.0000000
|
|
|
|
TITANIUM
|
|
S 8
|
|
1 211575.6902500 0.23318151011E-03
|
|
2 31714.9450580 0.18079690851E-02
|
|
3 7217.5476543 0.93984311352E-02
|
|
4 2042.9394247 0.38156853618E-01
|
|
5 665.12896208 0.12374757197
|
|
6 238.74942264 0.29208551143
|
|
7 92.508691001 0.41226800855
|
|
8 36.403919209 0.21090534061
|
|
S 4
|
|
1 232.72624607 -0.24920140738E-01
|
|
2 71.791209711 -0.11746490087
|
|
3 11.158534615 0.56503342318
|
|
4 4.6548135416 0.56211101812
|
|
S 2
|
|
1 6.8034629174 -0.23011425503
|
|
2 1.1201076403 0.72103186735
|
|
S 1
|
|
1 0.48080118839 1.0000000
|
|
S 1
|
|
1 0.085157274977 1.0000000
|
|
S 1
|
|
1 0.032657477046 1.0000000
|
|
P 6
|
|
1 1063.1474732 0.24690839320E-02
|
|
2 251.56507061 0.19773345523E-01
|
|
3 80.408554854 0.90987976672E-01
|
|
4 29.768193269 0.25559900413
|
|
5 11.736830556 0.40489386764
|
|
6 4.7142375230 0.23693402558
|
|
P 3
|
|
1 17.796803704 -0.27878639615E-01
|
|
2 2.4272698680 0.55672914668
|
|
3 0.96823445537 1.0055447350
|
|
P 1
|
|
1 0.37056694165 1.0000000
|
|
D 4
|
|
1 37.713384723 0.11513835092E-01
|
|
2 10.692931184 0.67246343996E-01
|
|
3 3.6728446990 0.21484207775
|
|
4 1.3588590303 0.38890892779
|
|
D 1
|
|
1 0.49213295253 1.0000000
|
|
D 1
|
|
1 0.16330520653 1.0000000
|
|
|
|
VANADIUM
|
|
S 8
|
|
1 232340.6505800 0.23072410092E-03
|
|
2 34828.8411700 0.17888178962E-02
|
|
3 7926.5448691 0.92992490131E-02
|
|
4 2243.7733046 0.37761463347E-01
|
|
5 730.59322944 0.12255909662
|
|
6 262.32219631 0.28963508811
|
|
7 101.70403805 0.41004702955
|
|
8 40.064784617 0.21113610858
|
|
S 4
|
|
1 255.24014968 -0.24458116338E-01
|
|
2 78.804646961 -0.11527205366
|
|
3 12.340598946 0.55174749453
|
|
4 5.1742019219 0.54504528489
|
|
S 2
|
|
1 7.6513894469 -0.22967638286
|
|
2 1.2639759898 0.71683769077
|
|
S 1
|
|
1 0.53861761721 1.0000000
|
|
S 1
|
|
1 0.092719296124 1.0000000
|
|
S 1
|
|
1 0.034998055176 1.0000000
|
|
P 6
|
|
1 1184.2369151 0.24449826729E-02
|
|
2 280.23075192 0.19643454466E-01
|
|
3 89.643627137 0.90796949190E-01
|
|
4 33.242411253 0.25650768222
|
|
5 13.144514452 0.40815393750
|
|
6 5.2948534140 0.23860378268
|
|
P 3
|
|
1 20.175586851 -0.28241489023E-01
|
|
2 2.7605865197 0.55574635619
|
|
3 1.1008900902 0.99319919270
|
|
P 1
|
|
1 0.42013310739 1.0000000
|
|
D 4
|
|
1 43.861134864 0.11487174238E-01
|
|
2 12.516021891 0.68247153977E-01
|
|
3 4.3313854957 0.21837784195
|
|
4 1.6138855773 0.39245212296
|
|
D 1
|
|
1 0.58749573961 1.0000000
|
|
D 1
|
|
1 0.19515723011 1.0000000
|
|
|
|
CHROMIUM
|
|
S 8
|
|
1 254477.8070400 0.23386945693E-03
|
|
2 38131.7970540 0.18142601800E-02
|
|
3 8675.2930607 0.94363925721E-02
|
|
4 2455.0099848 0.38343639367E-01
|
|
5 799.16217787 0.12459194837
|
|
6 286.90021489 0.29489696029
|
|
7 111.25413232 0.41846149607
|
|
8 43.864152636 0.21633763420
|
|
S 4
|
|
1 279.32669173 -0.23450908111E-01
|
|
2 86.274732376 -0.11080370027
|
|
3 13.555756113 0.53028965842
|
|
4 5.6978112751 0.51603516947
|
|
S 2
|
|
1 8.5636582615 -0.38109545675
|
|
2 1.3988296768 1.1991591436
|
|
S 1
|
|
1 0.57288171116 1.0000000
|
|
S 1
|
|
1 0.090096171317 1.0000000
|
|
S 1
|
|
1 0.034125885135 1.0000000
|
|
P 6
|
|
1 1306.4398864 0.24277326185E-02
|
|
2 309.25311441 0.19544041017E-01
|
|
3 98.996273963 0.90651794553E-01
|
|
4 36.756916451 0.25699279154
|
|
5 14.566657077 0.40935504891
|
|
6 5.8739937432 0.23729388849
|
|
P 3
|
|
1 22.890999695 -0.28166026613E-01
|
|
2 3.0855001822 0.56034120148
|
|
3 1.2132329118 0.98119019650
|
|
P 1
|
|
1 0.44931680699 1.0000000
|
|
D 4
|
|
1 43.720074476 0.13622964026E-01
|
|
2 12.391242652 0.78935180133E-01
|
|
3 4.2639442006 0.23833840000
|
|
4 1.5525221790 0.39526851122
|
|
D 1
|
|
1 0.53761929485 1.0000000
|
|
D 1
|
|
1 0.16493173074 1.0000000
|
|
|
|
MANGANESE
|
|
S 8
|
|
1 277185.0015300 0.22838385133E-03
|
|
2 41550.7698900 0.17707650375E-02
|
|
3 9455.9700152 0.92077209994E-02
|
|
4 2676.5206482 0.37415971825E-01
|
|
5 871.46687530 0.12164861426
|
|
6 312.98306420 0.28824392499
|
|
7 121.44454051 0.41041600847
|
|
8 47.922598829 0.21372375145
|
|
S 4
|
|
1 303.66723163 -0.24589926140E-01
|
|
2 93.881403187 -0.11602608038
|
|
3 14.879421214 0.55112059677
|
|
4 6.2865200745 0.53707560756
|
|
S 2
|
|
1 9.4858591337 -0.22889262695
|
|
2 1.5698706158 0.71196169587
|
|
S 1
|
|
1 0.65903213608 1.0000000
|
|
S 1
|
|
1 0.10686292371 1.0000000
|
|
S 1
|
|
1 0.039267435433 1.0000000
|
|
P 6
|
|
1 1444.7978182 0.23994136455E-02
|
|
2 342.06551197 0.19369286864E-01
|
|
3 109.58400891 0.90236108988E-01
|
|
4 40.747988173 0.25745467851
|
|
5 16.188626566 0.41272351958
|
|
6 6.5484505964 0.24087700007
|
|
P 3
|
|
1 25.357086437 -0.28707174058E-01
|
|
2 3.4830168782 0.55208100712
|
|
3 1.3858800906 0.97226901379
|
|
P 1
|
|
1 0.52555094893 1.0000000
|
|
D 4
|
|
1 56.563189119 0.11543245294532E-01
|
|
2 16.278734711 0.70299845987196E-01
|
|
3 5.6964273914 0.22450770821295
|
|
4 2.1411147942 0.39703065434226
|
|
D 1
|
|
1 0.78291801938 1.0000000
|
|
D 1
|
|
1 0.25952311214 1.0000000
|
|
|
|
IRON
|
|
S 8
|
|
1 300784.8463700 0.22806273096E-03
|
|
2 45088.9705570 0.17681788761E-02
|
|
3 10262.5163170 0.91927083490E-02
|
|
4 2905.2897293 0.37355495807E-01
|
|
5 946.11487137 0.12151108426
|
|
6 339.87832894 0.28818881468
|
|
7 131.94425588 0.41126612677
|
|
8 52.111494077 0.21518583573
|
|
S 4
|
|
1 329.48839267 -0.24745216477E-01
|
|
2 101.92332739 -0.11683089050
|
|
3 16.240462745 0.55293621136
|
|
4 6.8840675801 0.53601640182
|
|
S 2
|
|
1 10.470693782 -0.22912708577
|
|
2 1.7360039648 0.71159319984
|
|
S 1
|
|
1 0.72577288979 1.0000000
|
|
S 1
|
|
1 0.11595528203 1.0000000
|
|
S 1
|
|
1 0.041968227746 1.0000000
|
|
P 6
|
|
1 1585.3959970 0.23793960179E-02
|
|
2 375.38006499 0.19253154755E-01
|
|
3 120.31816501 0.90021836536E-01
|
|
4 44.788749031 0.25798172356
|
|
5 17.829278584 0.41492649744
|
|
6 7.2247153786 0.24207474784
|
|
P 3
|
|
1 28.143219756 -0.29041755152E-01
|
|
2 3.8743241412 0.55312260343
|
|
3 1.5410752281 0.96771136842
|
|
P 1
|
|
1 0.58285615250 1.0000000
|
|
D 4
|
|
1 61.996675034 0.11971972255E-01
|
|
2 17.873732552 0.73210135410E-01
|
|
3 6.2744782934 0.23103094314
|
|
4 2.3552337175 0.39910706494
|
|
D 1
|
|
1 0.85432239901 1.0000000
|
|
D 1
|
|
1 0.27869254413 1.0000000
|
|
|
|
COBALT
|
|
S 8
|
|
1 325817.0155300 0.22568462484E-03
|
|
2 48839.6364530 0.17499397533E-02
|
|
3 11114.9373070 0.91003134097E-02
|
|
4 3146.1603642 0.36996256837E-01
|
|
5 1024.4378465 0.12044269621
|
|
6 368.02508816 0.28598731649
|
|
7 142.91229205 0.40908312004
|
|
8 56.482649209 0.21500145739
|
|
S 4
|
|
1 356.40298318 -0.24767059678E-01
|
|
2 110.31165215 -0.11702139134
|
|
3 17.659634834 0.55215522200
|
|
4 7.5059030479 0.53246877060
|
|
S 2
|
|
1 11.501807176 -0.22942470077
|
|
2 1.9081994606 0.71180933514
|
|
S 1
|
|
1 0.79396696891 1.0000000
|
|
S 1
|
|
1 0.12444448829 1.0000000
|
|
S 1
|
|
1 0.044444645379 1.0000000
|
|
P 6
|
|
1 1731.1369144 0.23905767685E-02
|
|
2 409.91750438 0.19382999967E-01
|
|
3 131.45648578 0.90905448509E-01
|
|
4 48.987439714 0.26146681577
|
|
5 19.537078992 0.42157264570
|
|
6 7.9287281634 0.24571813557
|
|
P 3
|
|
1 31.076017584 -0.29438069973E-01
|
|
2 4.2835180697 0.55615568168
|
|
3 1.7022921563 0.96772195064
|
|
P 1
|
|
1 0.64202908602 1.0000000
|
|
D 4
|
|
1 68.140745239 0.11983845360E-01
|
|
2 19.685241019 0.73688540475E-01
|
|
3 6.9322128825 0.23085496779
|
|
4 2.6025125694 0.39281059225
|
|
D 1
|
|
1 0.94016837302 1.0000000
|
|
D 1
|
|
1 0.30381457794 1.0000000
|
|
|
|
NICKEL
|
|
S 8
|
|
1 351535.7293500 0.22529386884E-03
|
|
2 52695.8092830 0.17468616223E-02
|
|
3 11992.4682930 0.90849992136E-02
|
|
4 3394.5776689 0.36940748447E-01
|
|
5 1105.3594585 0.12032819950
|
|
6 397.14677769 0.28596715057
|
|
7 154.27542974 0.40983020196
|
|
8 61.018723780 0.21620642851
|
|
S 4
|
|
1 384.45559739 -0.24651279268E-01
|
|
2 119.04879199 -0.11658505277
|
|
3 19.137012223 0.54864126676
|
|
4 8.1526718562 0.52640051122
|
|
S 2
|
|
1 12.579408642 -0.22797884293
|
|
2 2.0870866081 0.70703738215
|
|
S 1
|
|
1 0.86432568555 1.0000000
|
|
S 1
|
|
1 0.13283169217 1.0000000
|
|
S 1
|
|
1 0.046845327726 1.0000000
|
|
P 6
|
|
1 1883.0907486 0.23748258443E-02
|
|
2 445.95155320 0.19289457172E-01
|
|
3 143.08430815 0.90718211507E-01
|
|
4 53.372920722 0.26181414117
|
|
5 21.321919357 0.42309149832
|
|
6 8.6643561994 0.24641686015
|
|
P 3
|
|
1 34.144255211 -0.29677129163E-01
|
|
2 4.7122455921 0.55616824096
|
|
3 1.8709231845 0.96357766460
|
|
P 1
|
|
1 0.70370016267 1.0000000
|
|
D 4
|
|
1 74.591603465 0.12077454672E-01
|
|
2 21.590632752 0.74637262154E-01
|
|
3 7.6246142580 0.23236775502
|
|
4 2.8632206762 0.39042651680
|
|
D 1
|
|
1 1.0311063388 1.0000000
|
|
D 1
|
|
1 0.33060760691 1.0000000
|
|
|
|
COPPER
|
|
S 8
|
|
1 377518.7992300 0.22811766128E-03
|
|
2 56589.9843110 0.17688035931E-02
|
|
3 12878.7117060 0.91993460227E-02
|
|
4 3645.3752143 0.37411016434E-01
|
|
5 1187.0072945 0.12189873737
|
|
6 426.46421902 0.28983900714
|
|
7 165.70660164 0.41531872174
|
|
8 65.598942707 0.21905799287
|
|
S 4
|
|
1 414.41265811 -0.24682525053E-01
|
|
2 128.32056039 -0.11716827406
|
|
3 20.622089750 0.55301315941
|
|
4 8.7821226045 0.52242718609
|
|
S 2
|
|
1 13.741372006 -0.22736061821
|
|
2 2.2431246833 0.71761210873
|
|
S 1
|
|
1 0.89370549079 1.0000000
|
|
S 1
|
|
1 0.10836699534 1.0000000
|
|
S 1
|
|
1 0.038806178058 1.0000000
|
|
P 6
|
|
1 2034.7596692 0.23524822298E-02
|
|
2 481.90468106 0.19134070751E-01
|
|
3 154.67482963 0.90171105278E-01
|
|
4 57.740576969 0.26063284735
|
|
5 23.099052811 0.42093485770
|
|
6 9.3882478591 0.24344615121
|
|
P 3
|
|
1 37.596171210 -0.28991094530E-01
|
|
2 5.1240690810 0.54919083831
|
|
3 2.0119996085 0.93793330488
|
|
P 1
|
|
1 0.73860686002 1.0000000
|
|
D 4
|
|
1 74.129460637 0.14363216676E-01
|
|
2 21.359842587 0.86628177096E-01
|
|
3 7.4995240537 0.25631430541
|
|
4 2.7601394169 0.40374062368
|
|
D 1
|
|
1 0.95362061236 1.0000000
|
|
D 1
|
|
1 0.28420862520 1.0000000
|
|
|
|
ZINC
|
|
S 8
|
|
1 405924.3102800 0.22442017483E-03
|
|
2 60846.9557350 0.17402086626E-02
|
|
3 13847.3430920 0.90513339565E-02
|
|
4 3919.6158551 0.36817341445E-01
|
|
5 1276.3594167 0.12004850256
|
|
6 458.67254435 0.28576057621
|
|
7 178.28725246 0.41087462062
|
|
8 70.612192837 0.21816962456
|
|
S 4
|
|
1 443.88077950 -0.24934274984E-01
|
|
2 137.55875267 -0.11817955766
|
|
3 22.268083479 0.55367318468
|
|
4 9.5217310606 0.52628934936
|
|
S 2
|
|
1 14.874114065 -0.22929955254
|
|
2 2.4647517612 0.71135484742
|
|
S 1
|
|
1 1.0113272238 1.0000000
|
|
S 1
|
|
1 0.14919852089 1.0000000
|
|
S 1
|
|
1 0.051441872981 1.0000000
|
|
P 6
|
|
1 2205.3508534 0.23356240448E-02
|
|
2 522.35300699 0.19031022634E-01
|
|
3 167.73055542 0.89955758675E-01
|
|
4 62.670045373 0.26113248631
|
|
5 25.109749456 0.42348448173
|
|
6 10.225142681 0.24618926885
|
|
P 3
|
|
1 40.713442521 -0.30029667592E-01
|
|
2 5.6247090696 0.55575254864
|
|
3 2.2279949116 0.95581013442
|
|
P 1
|
|
1 0.83354741691 1.0000000
|
|
D 4
|
|
1 88.554315311 0.12728170015E-01
|
|
2 25.721525557 0.79394499843E-01
|
|
3 9.1278367624 0.24491506805
|
|
4 3.4312364064 0.40390526479
|
|
D 1
|
|
1 1.2308920645 1.0000000
|
|
D 1
|
|
1 0.39031845112 1.0000000
|
|
|
|
GALLIUM
|
|
S 8
|
|
1 435548.6625400 0.23646329650E-03
|
|
2 65289.5890310 0.18335271776E-02
|
|
3 14858.7842560 0.95371863081E-02
|
|
4 4205.9734729 0.38803412468E-01
|
|
5 1369.6416431 0.12661604848
|
|
6 492.30348905 0.30175310292
|
|
7 191.41923233 0.43543934218
|
|
8 75.840558665 0.23282363780
|
|
S 4
|
|
1 474.30810613 -0.26743707958E-01
|
|
2 147.10297560 -0.12654657542
|
|
3 23.982599435 0.58840346839
|
|
4 10.298230094 0.56324271589
|
|
S 2
|
|
1 16.050381430 -0.24516439508
|
|
2 2.6988468784 0.74578049593
|
|
S 1
|
|
1 1.1428588736 1.0000000
|
|
S 1
|
|
1 0.20217652251 1.0000000
|
|
S 1
|
|
1 0.071980152032 1.0000000
|
|
P 6
|
|
1 2432.0171070 0.22434065928E-02
|
|
2 576.12049582 0.18342265336E-01
|
|
3 185.11584354 0.87279697167E-01
|
|
4 69.246572556 0.25684868351
|
|
5 27.818107777 0.42398378107
|
|
6 11.420229938 0.25701340043
|
|
P 3
|
|
1 42.819661530 -0.19326519119E-01
|
|
2 6.3885901000 0.31571386917
|
|
3 2.6698993326 0.57617792822
|
|
P 1
|
|
1 1.0781783834 1.0000000
|
|
P 1
|
|
1 0.22796559371 1.0000000
|
|
P 1
|
|
1 0.062836234833 1.0000000
|
|
D 5
|
|
1 103.92331829 0.11464613652E-01
|
|
2 30.371094389 0.73625747383E-01
|
|
3 10.872078097 0.23505107382
|
|
4 4.1549137954 0.40318563513
|
|
5 1.5345659145 0.40824748152
|
|
D 1
|
|
1 0.51114263830 1.0000000
|
|
|
|
GERMANIUM
|
|
S 8
|
|
1 466115.0059200 0.22487264660E-03
|
|
2 69875.4207620 0.17435426729E-02
|
|
3 15903.2767160 0.90691482206E-02
|
|
4 4501.8233453 0.36906174685E-01
|
|
5 1466.0570924 0.12050167907
|
|
6 527.07841728 0.28748641703
|
|
7 205.00395074 0.41622321885
|
|
8 81.251596065 0.22397845695
|
|
S 4
|
|
1 505.74661282 -0.25184609291E-01
|
|
2 156.96593744 -0.11898929721
|
|
3 25.761448176 0.54930135870
|
|
4 11.106654687 0.52939309129
|
|
S 2
|
|
1 17.272059104 -0.22854595728
|
|
2 2.9438289048 0.68377930317
|
|
S 1
|
|
1 1.2839164916 1.0000000
|
|
S 1
|
|
1 0.25873337445 1.0000000
|
|
S 1
|
|
1 0.093524913177 1.0000000
|
|
P 6
|
|
1 2633.9346241 0.22143925310E-02
|
|
2 624.00161628 0.18140899141E-01
|
|
3 200.58528404 0.86632184922E-01
|
|
4 75.097081525 0.25649020592
|
|
5 30.214388474 0.42658611262
|
|
6 12.440087567 0.26200527313
|
|
P 3
|
|
1 45.981316002 -0.20321767678E-01
|
|
2 6.9945654416 0.32013744527
|
|
3 2.9686001327 0.59051014555
|
|
P 1
|
|
1 1.2320988495 1.0000000
|
|
P 1
|
|
1 0.28981614974 1.0000000
|
|
P 1
|
|
1 0.085564606447 1.0000000
|
|
D 5
|
|
1 119.44887581 0.10586544521E-01
|
|
2 35.062915293 0.69601280945E-01
|
|
3 12.636924529 0.22807035287
|
|
4 4.8888672922 0.40301067220
|
|
5 1.8453195392 0.41304847015
|
|
D 1
|
|
1 0.63571158892 1.0000000
|
|
|
|
ARSENIC
|
|
S 8
|
|
1 498032.4215800 0.22740196900E-03
|
|
2 74656.8687430 0.17632816413E-02
|
|
3 16990.9600040 0.91728040381E-02
|
|
4 4809.6200321 0.37337829344E-01
|
|
5 1566.2887055 0.12199536117
|
|
6 563.21360499 0.29137475324
|
|
7 219.11179978 0.42326351479
|
|
8 86.866061030 0.22921464278
|
|
S 4
|
|
1 538.19512479 -0.25254197297E-01
|
|
2 167.14850224 -0.11915461115
|
|
3 27.605517159 0.54628495980
|
|
4 11.947858521 0.53001520976
|
|
S 2
|
|
1 18.538023133 -0.23479188136
|
|
2 3.2018985739 0.69167053428
|
|
S 1
|
|
1 1.4356522077 1.0000000
|
|
S 1
|
|
1 0.31837805200 1.0000000
|
|
S 1
|
|
1 0.11622632186 1.0000000
|
|
P 6
|
|
1 2678.9421546 0.23318955287E-02
|
|
2 634.61765840 0.19042149977E-01
|
|
3 203.93967606 0.90229744913E-01
|
|
4 76.323890369 0.26169037693
|
|
5 30.664124943 0.41857168155
|
|
6 12.505056732 0.23447830190
|
|
P 4
|
|
1 49.256229549 -0.21235539870E-01
|
|
2 7.7274891466 0.30470206668
|
|
3 3.5410493476 0.52888373107
|
|
4 1.6985585501 0.37272250955
|
|
P 1
|
|
1 0.76848071044 1.0000000
|
|
P 1
|
|
1 0.30050823260 1.0000000
|
|
P 1
|
|
1 0.098190639437 1.0000000
|
|
D 5
|
|
1 135.33289305 0.99291144106E-02
|
|
2 39.860212744 0.66568843496E-01
|
|
3 14.446428359 0.22275768307
|
|
4 5.6432900356 0.40309224382
|
|
5 2.1668188623 0.41671667946
|
|
D 1
|
|
1 0.76514970569 1.0000000
|
|
|
|
SELENIUM
|
|
S 8
|
|
1 531071.6669600 0.24108973168E-03
|
|
2 79603.0441170 0.18696431441E-02
|
|
3 18115.8442400 0.97271616536E-02
|
|
4 5127.8923194 0.39604793031E-01
|
|
5 1669.9130839 0.12948855136
|
|
6 600.57534527 0.30959437289
|
|
7 233.70021247 0.45115769216
|
|
8 92.672443932 0.24579189033
|
|
S 4
|
|
1 571.57513675 -0.26895707881E-01
|
|
2 177.63686375 -0.12670989353
|
|
3 29.517767052 0.57699001719
|
|
4 12.824399795 0.56369075408
|
|
S 2
|
|
1 19.848235841 -0.25132415534
|
|
2 3.4744018486 0.72905416980
|
|
S 1
|
|
1 1.5988910849 1.0000000
|
|
S 1
|
|
1 0.38333469387 1.0000000
|
|
S 1
|
|
1 0.14049742459 1.0000000
|
|
P 6
|
|
1 2815.3500566 0.25569026854E-02
|
|
2 666.92558298 0.20874026901E-01
|
|
3 214.34213188 0.98772096250E-01
|
|
4 80.246687942 0.28471821221
|
|
5 32.251081288 0.45003584934
|
|
6 13.106432562 0.24416091055
|
|
P 4
|
|
1 53.366108516 -0.21558456273E-01
|
|
2 8.1827777195 0.32662310638
|
|
3 3.6239945672 0.57740499319
|
|
4 1.6341591401 0.34301320826
|
|
P 1
|
|
1 0.58418320228 1.0000000
|
|
P 1
|
|
1 0.23966269279 1.0000000
|
|
P 1
|
|
1 0.088785134803 1.0000000
|
|
D 5
|
|
1 151.82910279 0.93970276988E-02
|
|
2 44.839992523 0.64086503991E-01
|
|
3 16.328999510 0.21834238004
|
|
4 6.4305057612 0.40314789649
|
|
5 2.5048025169 0.41966491490
|
|
D 1
|
|
1 0.90271148434 1.0000000
|
|
|
|
BROMINE
|
|
S 8
|
|
1 565073.2525600 0.23660314690E-03
|
|
2 84701.7231790 0.18348332508E-02
|
|
3 19276.2719000 0.95465849860E-02
|
|
4 5456.4284576 0.38877142153E-01
|
|
5 1776.9503500 0.12718314231
|
|
6 639.19398276 0.30437662191
|
|
7 248.78823961 0.44490940497
|
|
8 98.678305494 0.24381643058
|
|
S 4
|
|
1 606.07824568 -0.26527158709E-01
|
|
2 188.45598484 -0.12484584809
|
|
3 31.497144506 0.56468683559
|
|
4 13.736008320 0.55555268564
|
|
S 2
|
|
1 21.203212766 -0.24940920493
|
|
2 3.7616420178 0.71213119743
|
|
S 1
|
|
1 1.7735933962 1.0000000
|
|
S 1
|
|
1 0.45197413664 1.0000000
|
|
S 1
|
|
1 0.16613377099 1.0000000
|
|
P 6
|
|
1 3019.6955723 0.24971049798E-02
|
|
2 715.35481126 0.20419267596E-01
|
|
3 229.98328751 0.96897148309E-01
|
|
4 86.167844615 0.28053901252
|
|
5 34.667870802 0.44606390473
|
|
6 14.113870307 0.24410073923
|
|
P 4
|
|
1 57.085653082 -0.21855950710E-01
|
|
2 8.8193845840 0.32707075320
|
|
3 3.9340302872 0.57855229520
|
|
4 1.7998830384 0.33570987698
|
|
P 1
|
|
1 0.66899410512 1.0000000
|
|
P 1
|
|
1 0.27136238231 1.0000000
|
|
P 1
|
|
1 0.10083790243 1.0000000
|
|
D 5
|
|
1 168.85370257 0.89663981988E-02
|
|
2 49.977949919 0.62062059316E-01
|
|
3 18.274913338 0.21474732384
|
|
4 7.2455694631 0.40335336746
|
|
5 2.8562315025 0.42208813080
|
|
D 1
|
|
1 1.0459621144 1.0000000
|
|
|
|
KRYPTON
|
|
S 8
|
|
1 600250.9757500 0.23740610399E-03
|
|
2 89976.6507810 0.18410240539E-02
|
|
3 20476.8142250 0.95795580699E-02
|
|
4 5796.1554078 0.39020650488E-01
|
|
5 1887.5913196 0.12772645628
|
|
6 679.11458519 0.30596521300
|
|
7 264.38244511 0.44857474437
|
|
8 104.88368574 0.24722957327
|
|
S 4
|
|
1 641.47370764 -0.26745279805E-01
|
|
2 199.57524820 -0.12571122567
|
|
3 33.545462954 0.56483736390
|
|
4 14.683955144 0.55972765539
|
|
S 2
|
|
1 22.603101860 -0.25298771800
|
|
2 4.0650682991 0.70992159965
|
|
S 1
|
|
1 1.9611027060 1.0000000
|
|
S 1
|
|
1 0.52465147979 1.0000000
|
|
S 1
|
|
1 0.19332399511 1.0000000
|
|
P 6
|
|
1 3232.9589614 0.24885607974E-02
|
|
2 765.96442694 0.20379007428E-01
|
|
3 246.33940810 0.96977188584E-01
|
|
4 92.365283041 0.28199960954
|
|
5 37.199509551 0.45116254358
|
|
6 15.172166534 0.24917131496
|
|
P 4
|
|
1 60.931321698 -0.22173603519E-01
|
|
2 9.4792600646 0.32838462778
|
|
3 4.2564686326 0.58124997120
|
|
4 1.9729313762 0.32863541783
|
|
P 1
|
|
1 0.76337108716 1.0000000
|
|
P 1
|
|
1 0.30943625526 1.0000000
|
|
P 1
|
|
1 0.11569704458 1.0000000
|
|
D 5
|
|
1 186.41760904 0.86120284601E-02
|
|
2 55.274124345 0.60394406304E-01
|
|
3 20.283219120 0.21181331869
|
|
4 8.0884536976 0.40366293413
|
|
5 3.2214033853 0.42402860686
|
|
D 1
|
|
1 1.1952170102 1.0000000
|
|
|
|
|