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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-19 17:23:25 +02:00
qp2/data/pseudo/bfd
2019-01-25 11:39:31 +01:00

553 lines
7.7 KiB
Plaintext

H GEN 0 0
3
1.00000000 1 4.47692410
4.47692410 3 2.97636451
-4.32112340 2 3.01841596
He GEN 0 0
3
2.00000000 1 9.84368811
19.68737622 3 10.94516233
-17.20570338 2 12.03715264
Li GEN 2 1
3
1.00000000 1 5.41040609
5.41040609 3 2.70520138
-4.60151975 2 2.07005488
1
7.09172172 2 1.34319829
Be GEN 2 1
3
2.00000000 1 4.58686001
9.17372003 3 2.29371778
-8.12599146 2 2.10401964
1
14.90499810 2 2.71723988
B GEN 2 1
3
3.00000000 1 5.40423964
16.21271892 3 5.71678458
-11.86640633 2 4.48974455
1
15.49737620 2 3.43781634
C GEN 2 1
3
4.00000000 1 8.35973821
33.43895285 3 4.48361888
-19.17537323 2 3.93831258
1
22.55164191 2 5.02991637
N GEN 2 1
3
5.00000000 1 9.23501007
46.17505034 3 7.66830008
-30.18893534 2 7.34486070
1
31.69720409 2 6.99536540
O GEN 2 1
3
6.00000000 1 9.29793903
55.78763416 3 8.86492204
-38.81978498 2 8.62925665
1
38.41914135 2 8.71924452
F GEN 2 1
3
7.00000000 1 11.39210685
79.74474797 3 10.74911370
-49.45159098 2 10.45120693
1
50.25646328 2 11.30345826
Ne GEN 2 1
3
8.00000000 1 10.74945199
85.99561593 3 10.19801460
-56.79004456 2 10.18694048
1
55.11144535 2 12.85042963
Na GEN 10 2
3
1.00000000 1 5.35838717
5.35838717 3 3.67918975
-2.07764789 2 1.60507673
1
10.69640234 2 1.32389367
1
10.11238853 2 1.14052020
Mg GEN 10 2
3
2.00000000 1 4.48537898
8.97075796 3 2.24268949
-7.72153408 2 1.59710474
1
15.07848048 2 1.57188656
1
12.37888383 2 1.42757357
Al GEN 10 2
3
3.00000000 1 3.07301275
9.21903825 3 9.97055633
-9.65888637 2 2.64134660
1
17.16680112 2 1.87284747
1
14.22120694 2 1.79397208
Si GEN 10 2
3
4.00000000 1 1.80721061
7.22884246 3 9.99633089
-13.06725590 2 2.50043232
1
21.20531613 2 2.26686403
1
15.43693603 2 2.11659661
P GEN 10 2
3
5.00000000 1 2.02622810
10.13114051 3 9.95970113
-14.94375088 2 2.74841795
1
23.62479480 2 2.60470698
1
18.18547203 2 2.54957900
S GEN 10 2
3
6.00000000 1 2.42178462
14.53070769 3 6.74148698
-17.52965289 2 3.06094751
1
25.99260928 2 2.94272173
1
18.93356489 2 2.84566981
Cl GEN 10 2
3
7.00000000 1 2.41079533
16.87556731 3 5.29139158
-18.80917558 2 2.91105513
1
28.59107316 2 3.34528827
1
19.37583724 2 3.12408551
Ar GEN 10 2
3
8.00000000 1 3.09403094
24.75224749 3 6.53700323
-20.38446872 2 3.35769859
1
30.67006675 2 3.68203169
1
20.84338017 2 3.45735664
K GEN 10 2
3
9.00000000 1 1.61692238
14.55230143 3 2.94781323
-28.90972088 2 2.34518380
1
85.63621269 2 6.20715645
1
30.81028404 2 4.43761067
Ca GEN 10 2
3
10.00000000 1 1.83448200
18.34481997 3 2.93139337
-33.15102838 2 2.50808985
1
90.63863403 2 6.91765747
1
31.99145044 2 4.89613174
Sc GEN 10 2
3
11.00000000 1 1.64916555
18.14082106 3 3.06833288
-35.19310566 2 2.41985389
1
97.62913482 2 7.60319353
1
33.97033635 2 5.31121835
Ti GEN 10 2
3
12.00000000 1 1.85755224
22.29062683 3 3.30638246
-41.26280518 2 2.70879079
1
96.94231089 2 8.03040157
1
38.01641313 2 5.93291405
V GEN 10 2
3
13.00000000 1 2.16361754
28.12702797 3 4.07901780
-48.27656329 2 3.21436396
1
96.23226580 2 8.44326050
1
41.58043539 2 6.53136059
Cr GEN 10 2
3
14.00000000 1 2.94337662
41.20727267 3 3.40750349
-55.51413840 2 3.33587110
1
103.26274052 2 9.14231779
1
45.80124572 2 7.21220771
Mn GEN 10 2
3
15.00000000 1 3.29524605
49.42869068 3 3.61599152
-61.66925169 2 3.57405761
1
112.85037953 2 9.99154195
1
49.18832867 2 7.80925218
Fe GEN 10 2
3
16.00000000 1 3.72075632
59.53210107 3 3.92321272
-68.75847841 2 3.89595440
1
112.92561163 2 10.42343546
1
52.55882759 2 8.41664076
Co GEN 10 2
3
17.00000000 1 4.18819322
71.19928469 3 4.42968808
-77.65278252 2 4.39800669
1
113.90484511 2 10.86075441
1
56.10698766 2 9.05202771
Ni GEN 10 2
3
18.00000000 1 4.22878924
76.11820629 3 4.46202418
-82.85330412 2 4.44960456
1
120.84003628 2 11.62700064
1
58.54148726 2 9.57327085
Cu GEN 10 2
3
19.00000000 1 6.25149628
118.77842940 3 6.72725326
-105.89982403 2 6.61024592
1
127.35069424 2 12.36568715
1
71.22984900 2 11.16072939
Zn GEN 10 2
3
20.00000000 1 5.25282726
105.05654526 3 5.85433298
-105.08806248 2 5.80452897
1
123.87006927 2 12.52174964
1
72.33499364 2 11.56019052
Ga GEN 28 3
3
3.00000000 1 1.22544253
3.67632759 3 5.71065133
-11.23828733 2 1.33931968
1
57.88512249 2 2.48772664
1
43.67871044 2 2.12489462
1
17.97137628 2 1.27124173
Ge GEN 28 3
3
4.00000000 1 1.88492329
7.53969315 3 9.98137268
-13.13622589 2 1.98008364
1
61.26369269 2 3.03315885
1
55.52495744 2 2.76564031
1
23.49168485 2 1.66026543
As GEN 28 3
3
5.00000000 1 1.21796059
6.08980295 3 9.96302171
-14.92625816 2 1.86158567
1
73.75553709 2 3.54546456
1
68.03580909 2 3.28664249
1
23.32540737 2 1.95862616
Se GEN 28 3
3
6.00000000 1 1.73494732
10.40968393 3 6.91632737
-17.83199463 2 3.10551681
1
85.94238004 2 4.67503354
1
78.84838432 2 4.34256579
1
30.92151589 2 2.61905005
Br GEN 28 3
3
7.00000000 1 1.86793881
13.07557164 3 5.30536536
-18.79056037 2 3.32134623
1
88.58537968 2 5.17694821
1
79.43718432 2 4.80714881
1
29.35463757 2 3.03534088
Kr GEN 28 3
3
8.00000000 1 1.72397711
13.79181690 3 6.70510242
-22.77215308 2 2.75463922
1
92.78570269 2 4.85045356
1
80.37767796 2 4.52350391
1
31.36172413 2 3.04556109
Rb GEN 28 3
3
9.00000000 1 1.93326235
17.39936111 3 3.14473834
-26.53731001 2 2.67367304
1
85.71767228 2 5.15576814
1
48.02236719 2 4.13480924
1
32.98704385 2 3.52393676
Sr GEN 28 3
3
10.00000000 1 1.51098327
15.10983267 3 4.08312080
-26.67485196 2 2.20539101
1
91.10888571 2 4.83388773
1
51.70644278 2 3.81526734
1
31.98712514 2 3.20797541
In GEN 46 3
3
3.00000000 1 0.84508372
2.53525117 3 5.66019931
-7.66579852 2 0.85764327
1
58.16918845 2 1.87837596
1
43.63891951 2 1.51547534
1
17.93363847 2 0.83917399
Sn GEN 46 3
3
4.00000000 1 0.61334103
2.45336413 3 5.67826592
-9.33070594 2 0.86945138
1
58.04190484 2 2.01380769
1
43.68447157 2 1.63883815
1
17.95660523 2 0.92346533
Sb GEN 46 3
3
5.00000000 1 0.74773404
3.73867018 3 5.79307847
-13.88202267 2 1.07909250
1
57.56076138 2 2.04356327
1
43.88817098 2 1.70062095
1
17.82275877 2 1.00414410
Te GEN 46 3
3
6.00000000 1 1.28872858
7.73237146 3 5.81046154
-13.65642757 2 1.55436985
1
57.52907325 2 2.39157624
1
43.70165092 2 1.96781367
1
18.64325026 2 1.13849722
I GEN 46 3
3
7.00000000 1 1.01780923
7.12466460 3 3.60136147
-29.18419372 2 1.68345378
1
108.68417388 2 2.80278521
1
99.35380694 2 2.51494051
1
41.32653157 2 1.56672279
Xe GEN 46 3
3
8.00000000 1 1.22029027
9.76232213 3 5.14625292
-32.16318995 2 2.10563577
1
110.93633943 2 3.20320603
1
99.49007680 2 2.86062806
1
41.81892440 2 1.74523568
Cs GEN 46 3
3
9.00000000 1 1.42083294
12.78749648 3 3.04497432
-21.48605417 2 3.27432859
1
87.71882150 2 4.74273103
1
50.11684516 2 3.50080269
1
34.28999477 2 2.05168748
Ba GEN 46 3
3
10.00000000 1 1.75114866
17.51148658 3 7.10519292
-27.30238921 2 1.92434265
1
86.12190858 2 2.79769987
1
52.48439280 2 2.16940023
1
41.96330733 2 1.76672762
Tl GEN 78 4
3
3.00000000 1 1.34540299
4.03620897 3 1.80622564
-21.68751419 2 0.88272932
1
91.69120822 2 1.55008480
1
85.52036047 2 1.34656124
1
62.00124014 2 0.92193030
1
45.59483689 2 0.95782546
Pb GEN 78 4
3
4.00000000 1 1.33905502
5.35622008 3 3.57680327
-25.11165802 2 1.08584447
1
121.69447681 2 1.89957262
1
114.36466627 2 1.64009233
1
49.32959048 2 0.93051806
1
45.59434323 2 1.07638351
Bi GEN 78 4
3
5.00000000 1 1.32337887
6.61689433 3 3.57500194
-25.11872438 2 1.26988106
1
121.69346942 2 2.17897203
1
114.36404033 2 1.85248885
1
59.32816833 2 1.10815262
1
55.59430794 2 1.13749297
Po GEN 78 4
3
6.00000000 1 1.12915012
6.77490072 3 3.57645639
-27.15687722 2 1.43566151
1
123.68767392 2 2.45166968
1
116.36047985 2 2.06261668
1
81.32822758 2 1.28212112
1
80.59441478 2 1.32883356
At GEN 78 4
3
7.00000000 1 1.03089969
7.21629781 3 3.69262441
-29.19452905 2 1.45693225
1
128.68209352 2 2.56609159
1
119.35613288 2 2.15280178
1
80.33152157 2 1.37630746
1
80.58962589 2 1.47835294
Rn GEN 78 4
3
8.00000000 1 1.09138091
8.73104728 3 3.03187023
-29.28994938 2 1.65026568
1
128.63606138 2 2.92260183
1
119.39674828 2 2.42144059
1
80.33096401 2 1.49781359
1
80.58961959 2 1.47976575