mirror of
https://github.com/QuantumPackage/qp2.git
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786 lines
28 KiB
Plaintext
786 lines
28 KiB
Plaintext
H GEN 0 2
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6
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1.00000000 1 33.97261756
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-5.73227574 2 41.31028903
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-0.09126064 2 25.25940941
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-20.89980944 2 22.55290552
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21.89980945 2 32.44131356
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33.97261756 3 21.12884239
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|
6
|
|
-792.10375913 2 18.05333002
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788.69064150 2 28.72271273
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243.76232429 2 17.34000000
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1971.45741618 2 20.31094085
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-1795.56663560 2 22.08154655
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-418.65661775 2 30.98799599
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6
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20.17177614 2 43.35000000
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|
-21.74798121 2 30.58059209
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81.48044293 2 43.35000000
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-250.69197995 2 42.07548166
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88.72115024 2 36.90496619
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81.48044293 2 43.35000000
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He GEN 0 2
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6
|
|
2.00000000 1 20.98762121
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-33.61186426 2 22.14709418
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24.51669349 2 23.61790706
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130.14113834 2 15.38761786
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|
-129.14113834 2 14.22621787
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41.97524242 3 12.59257273
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|
6
|
|
1056.41263785 2 13.17618363
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|
-1062.28560366 2 23.62254131
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|
-463.87351954 2 12.04168890
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-676.20404915 2 15.14280380
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-595.21618656 2 19.81607243
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|
1736.29130578 2 22.34342328
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6
|
|
428.21432838 2 21.71652417
|
|
-430.31401911 2 12.32378638
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|
7327.65357096 2 14.04426129
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-7501.20178041 2 14.34477832
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827.37705616 2 17.58948890
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-652.83515208 2 21.22706329
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Li GEN 2 2
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6
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1.00000000 1 0.78732101
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-2.23995793 2 0.79224763
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0.10336496 2 1.79622268
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4.26591073 2 1.83637465
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|
-3.26591073 2 1.91213904
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0.78732101 3 0.79291624
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|
6
|
|
256.06005883 2 1.78312879
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|
-255.07112703 2 0.95553059
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89.99417499 2 0.87617279
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|
271.48958394 2 1.09621549
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-180.35430387 2 1.43900642
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-180.12948429 2 1.83085147
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6
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|
-6.15265886 2 1.51120608
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4.70876577 2 0.76936375
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-145.31681550 2 0.76874061
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-238.21930857 2 0.99080928
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219.67347903 2 0.80457655
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164.85986038 2 1.07164892
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Be GEN 2 2
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6
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2.00000000 1 1.20639978
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-5.40210132 2 1.18425537
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1.72285109 2 2.81826911
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2.83477794 2 2.37513515
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-1.83477794 2 2.82920954
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2.41279956 3 1.18219335
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6
|
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-1045.56923435 2 2.59240549
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|
1047.78889524 2 1.41686040
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-1899.02207714 2 1.48536195
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1398.02036098 2 1.70076266
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-696.17508584 2 2.03898393
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1198.17691383 2 2.57766021
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6
|
|
630.77503458 2 1.84421403
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-632.64959849 2 1.13419132
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|
441.30858401 2 1.13393716
|
|
435.76647651 2 1.22419150
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|
-353.48689426 2 1.39760436
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-522.59133089 2 1.88595068
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|
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|
B GEN 2 2
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6
|
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3.00000000 1 2.72292969
|
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-11.77602579 2 2.41356794
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|
5.22133296 2 4.60628004
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|
0.40709712 2 3.81569642
|
|
0.59290288 2 4.75281449
|
|
8.16878906 3 2.42655010
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6
|
|
-259.65579181 2 2.54943794
|
|
264.77623108 2 4.54559309
|
|
79.19161122 2 2.15270531
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-59.67150303 2 2.71820746
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4276.39654293 2 3.54458188
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-4294.91608677 2 3.65732479
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6
|
|
236.40878048 2 3.85965228
|
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-239.02058908 2 2.15130911
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4065.68265375 2 2.50786619
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-4354.92616892 2 2.58144728
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782.08428825 2 3.14947869
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-491.84514677 2 3.69136935
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C GEN 2 2
|
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6
|
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4.00000000 1 6.85924392
|
|
-68.83281650 2 7.67473342
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|
58.31001518 2 8.89832626
|
|
-5.23010100 2 4.63334409
|
|
6.23010100 2 5.40036758
|
|
27.43697568 3 6.78357071
|
|
6
|
|
15927.37261280 2 7.83879438
|
|
-15918.16480090 2 5.19308059
|
|
2266.75441213 2 7.53204263
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|
199.75030501 2 9.76960112
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|
15915.92435302 2 5.19521204
|
|
-18381.42723477 2 7.82847044
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6
|
|
-153360.42295057 2 4.77965478
|
|
153356.81223147 2 7.75552602
|
|
-369415.66050006 2 7.39994991
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152547.92039307 2 4.77641318
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-50035.07991665 2 8.01352516
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266903.80850142 2 7.30461659
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N GEN 2 2
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6
|
|
5.00000000 1 11.01983025
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-745.67280403 2 7.70260962
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|
729.30210222 2 7.83791198
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|
-3.61639106 2 8.41784728
|
|
4.61639106 2 12.53426384
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|
55.09915126 3 6.76845507
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|
6
|
|
190.73305357 2 10.95092720
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-176.25003778 2 7.48977970
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|
138618.50426238 2 6.17989888
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-156031.83911197 2 6.21713643
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|
33624.66842989 2 6.84042808
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|
-16210.33273520 2 7.23938652
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|
6
|
|
-6963.78021671 2 6.00000000
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|
6959.42174113 2 6.82157159
|
|
-1881.92821431 2 8.95497565
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|
13576.39988827 2 6.21477468
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|
-14307.35309373 2 6.69426410
|
|
2613.87687182 2 8.63240466
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|
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O GEN 2 2
|
|
6
|
|
6.00000000 1 8.86965578
|
|
-28.03502457 2 6.05347085
|
|
11.15565054 2 5.51487970
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|
180.73182495 2 10.77996678
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|
-179.73182495 2 10.23800841
|
|
53.21793471 3 7.90307811
|
|
6
|
|
-9301.89903913 2 7.28355994
|
|
9316.57793048 2 6.06026884
|
|
59864.04331135 2 10.82203807
|
|
-5153.55178109 2 5.75221581
|
|
-94673.29831259 2 10.51025188
|
|
39963.80850689 2 9.71187643
|
|
6
|
|
1682.75815189 2 6.93414347
|
|
-1694.05800561 2 5.70161443
|
|
848.47217112 2 5.90927487
|
|
-8787.11179775 2 8.69956320
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|
7632.94108771 2 8.89513889
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|
306.69604455 2 4.97067782
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|
|
|
F GEN 2 2
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|
6
|
|
7.00000000 1 16.52363418
|
|
-6.34751135 2 13.25777643
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|
-15.15415075 2 18.76649923
|
|
-34.29784879 2 10.97564997
|
|
35.29784879 2 21.10568925
|
|
115.66543928 3 13.45706123
|
|
6
|
|
3851.10542697 2 18.85020393
|
|
-3832.40250429 2 12.48878559
|
|
-237433.87385812 2 13.23599298
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|
4380.91891820 2 11.79852686
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240164.95590264 2 13.28196243
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-7110.99868861 2 17.38283172
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|
6
|
|
-154.12048513 2 8.59949907
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|
138.11297468 2 9.44224375
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|
90.42851925 2 8.92886754
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24.83173716 2 10.18592724
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-424.59591732 2 14.47166344
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310.33244840 2 16.45175456
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|
Ne GEN 2 2
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6
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8.00000000 1 21.65168713
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1792.30188007 2 14.45374325
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-1826.14661180 2 14.11313946
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|
24.26469360 2 14.10779016
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|
-23.26469360 2 20.42281751
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|
173.21349705 3 11.94458523
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|
6
|
|
-3233.03788910 2 12.39056574
|
|
3263.09949012 2 20.60119535
|
|
1065.47298248 2 11.30677784
|
|
846.05067282 2 12.27737462
|
|
-34052.05079344 2 17.82669542
|
|
32141.52790433 2 17.34318949
|
|
6
|
|
64989.42116117 2 20.31242587
|
|
-65003.08394100 2 20.05277414
|
|
-486.55828399 2 12.87396775
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|
2895.04182579 2 15.84533388
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-261.91821074 2 19.42277681
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-2145.56672184 2 23.82700477
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K GEN 18 2
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6
|
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1.00000000 1 0.68724959
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|
7665.13435390 2 0.62381187
|
|
-7668.26785841 2 0.59278246
|
|
-3877.60874288 2 0.63961163
|
|
3878.60874288 2 0.57860350
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|
0.68724959 3 0.50008691
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|
6
|
|
477943.00813868 2 0.60446875
|
|
-477941.36080643 2 0.55281419
|
|
-533027.54468668 2 0.57763214
|
|
644866.44840953 2 0.56624742
|
|
-347063.87255621 2 0.60823749
|
|
235225.96911606 2 0.54903924
|
|
6
|
|
5177368.01138896 2 0.56835236
|
|
-5177366.94506877 2 0.57395949
|
|
479730.23987439 2 0.65183506
|
|
1027151.48932830 2 0.60393420
|
|
-737636.25038898 2 0.55451546
|
|
-769244.47868615 2 0.64345811
|
|
|
|
Ca GEN 18 2
|
|
6
|
|
2.00000000 1 1.02097432
|
|
-10036.20006734 2 0.76570985
|
|
10030.67757963 2 0.83608195
|
|
-8136.00883920 2 0.84362927
|
|
8137.00883920 2 0.75729596
|
|
2.04194863 3 0.94514267
|
|
6
|
|
-34706.02643508 2 0.85912364
|
|
34710.12533681 2 0.50000000
|
|
860.68953329 2 0.79227941
|
|
33806.87817612 2 0.85997136
|
|
-34747.30927870 2 0.50004940
|
|
80.74228959 2 1.01833438
|
|
6
|
|
514.89542915 2 0.50045897
|
|
-511.93073005 2 0.57886998
|
|
-1374495660.24999190 2 0.50000000
|
|
687246875.87136328 2 0.50000000
|
|
595.96081232 2 0.56402502
|
|
687248189.41960287 2 0.50000000
|
|
|
|
Sc GEN 18 2
|
|
6
|
|
3.00000000 1 8.57059896
|
|
39.59298139 2 7.59719947
|
|
-67.37349200 2 5.06179469
|
|
3.54689568 2 11.85222547
|
|
-2.54689568 2 0.70815643
|
|
25.71179688 3 5.04858060
|
|
6
|
|
414.99811890 2 5.58945823
|
|
-389.30527335 2 5.93611719
|
|
8.74915776 2 0.56803113
|
|
-23.92388226 2 0.60868170
|
|
42.12589000 2 0.76957270
|
|
-25.95178014 2 1.21300456
|
|
6
|
|
87.05758924 2 1.12946939
|
|
-62.19670511 2 8.56362761
|
|
66.37833241 2 7.27494713
|
|
16.41391965 2 0.74327556
|
|
43.70031508 2 2.03252459
|
|
-125.49197853 2 1.19227023
|
|
|
|
Ti GEN 18 2
|
|
6
|
|
4.00000000 1 4.77516915
|
|
28.34758957 2 10.86929502
|
|
-63.21363466 2 5.37319310
|
|
5.17935660 2 6.86168513
|
|
-4.17935660 2 0.95669336
|
|
19.10067660 3 3.52162434
|
|
6
|
|
211.66189616 2 7.01854391
|
|
-179.82099411 2 1.03880358
|
|
-185.28466640 2 8.02474194
|
|
43.44334388 2 1.22490803
|
|
-44.06205312 2 0.73917909
|
|
186.90335758 2 0.89595855
|
|
6
|
|
49.26886952 2 4.65596397
|
|
-18.32131307 2 12.03001514
|
|
-5.50633295 2 2.16547114
|
|
-342.25486254 2 0.92182600
|
|
304.90681508 2 0.90099079
|
|
43.85505055 2 0.99684289
|
|
|
|
V GEN 18 2
|
|
6
|
|
5.00000000 1 7.54069430
|
|
35.58763613 2 13.63949328
|
|
-78.03044429 2 6.35551182
|
|
6.53716910 2 2.59423528
|
|
-5.53716910 2 1.16176108
|
|
37.70347150 3 6.00940761
|
|
6
|
|
194.57815114 2 8.18606241
|
|
-156.25972501 2 0.95585889
|
|
-162.29334861 2 9.81441300
|
|
-7.74379387 2 0.70017858
|
|
244.84040986 2 0.97854682
|
|
-73.80312462 2 1.14925292
|
|
6
|
|
58.91069981 2 5.48333809
|
|
-21.55840127 2 14.40777862
|
|
-10.12891199 2 2.12080402
|
|
2.52953175 2 0.69388688
|
|
109.28174657 2 1.01378564
|
|
-100.68144081 2 1.02780261
|
|
|
|
Cr GEN 18 2
|
|
6
|
|
6.00000000 1 5.86829616
|
|
-3.09900314 2 0.98487638
|
|
-44.94655388 2 6.96616660
|
|
135.46731129 2 13.59887742
|
|
-134.46731129 2 11.34882544
|
|
35.20977696 3 8.91110617
|
|
6
|
|
-526.12421414 2 1.73784849
|
|
568.24328209 2 32.55674074
|
|
-4019.88240027 2 29.55364033
|
|
495.64908693 2 1.64707294
|
|
3445.48735974 2 29.05037955
|
|
79.74580069 2 3.85284016
|
|
6
|
|
31.31844062 2 19.50625909
|
|
10.30743573 2 0.86978393
|
|
-81.88780266 2 15.20370471
|
|
461.22634080 2 10.28610919
|
|
1.00599253 2 29.84121604
|
|
-379.34381792 2 10.93761710
|
|
|
|
Mn GEN 18 2
|
|
6
|
|
7.00000000 1 15.05016398
|
|
76.91199595 2 15.84783194
|
|
-135.08366030 2 9.80426007
|
|
5.12036990 2 21.62193241
|
|
-4.12036990 2 1.26331891
|
|
105.35114786 3 9.24698903
|
|
6
|
|
4.45077705 2 37.07900996
|
|
46.93892122 2 10.09409180
|
|
-59.63952162 2 18.98557107
|
|
47.25376130 2 10.16267391
|
|
2270.38024432 2 0.79460121
|
|
-2256.99438460 2 0.79345224
|
|
6
|
|
43.65884288 2 39.18960573
|
|
6.58957965 2 5.88646925
|
|
273.41973132 2 12.35978155
|
|
-27.85882166 2 45.92825074
|
|
-255.64090683 2 15.10051906
|
|
11.08093098 2 0.96083847
|
|
|
|
Fe GEN 18 2
|
|
6
|
|
8.00000000 1 20.13246747
|
|
61.79343671 2 20.09868712
|
|
-128.55600523 2 10.70685691
|
|
4.84472314 2 28.79726611
|
|
-3.84472314 2 1.31374323
|
|
161.05973977 3 11.74858936
|
|
6
|
|
-20.21006220 2 30.42214774
|
|
78.68908034 2 10.18491881
|
|
-104.38370168 2 6.69228251
|
|
11879.61125830 2 2.98725076
|
|
4067.63536025 2 2.63900793
|
|
-15841.86182474 2 2.88538957
|
|
6
|
|
52.35701571 2 38.26448010
|
|
4.85142656 2 5.90250183
|
|
2169.08154283 2 14.09502191
|
|
-40.04038813 2 42.65213493
|
|
-2140.34005623 2 14.44188153
|
|
12.29991314 2 1.06050818
|
|
|
|
Co GEN 18 2
|
|
6
|
|
9.00000000 1 18.31609159
|
|
47.84627034 2 26.91264651
|
|
-123.98809879 2 11.91957078
|
|
5.09540361 2 38.50128360
|
|
-4.09540361 2 1.45636943
|
|
164.84482431 3 13.41744556
|
|
6
|
|
-22.55314559 2 34.07535172
|
|
88.75521276 2 10.45260699
|
|
-158.32924566 2 5.91087540
|
|
-53402.80058080 2 3.13684604
|
|
49767.17959800 2 3.16692544
|
|
3794.95155282 2 2.81533596
|
|
6
|
|
61.92019742 2 38.11279103
|
|
2.85881103 2 5.82898971
|
|
-387.27158530 2 15.59733227
|
|
-64.65478412 2 38.57519906
|
|
439.30094674 2 13.98109833
|
|
13.62664636 2 1.17046441
|
|
|
|
Ni GEN 18 2
|
|
6
|
|
10.00000000 1 19.84291404
|
|
-195.32353012 2 16.02128656
|
|
108.98533897 2 26.59513762
|
|
6.08469364 2 39.39261550
|
|
-5.08469364 2 1.73812596
|
|
198.42914037 3 16.63287860
|
|
6
|
|
636.14358475 2 21.00974643
|
|
-561.54325704 2 22.88188409
|
|
-146.65571659 2 11.08963477
|
|
1590.91833845 2 2.66405882
|
|
203.15470938 2 6.84512029
|
|
-1646.41568069 2 2.74451213
|
|
6
|
|
67.70992628 2 28.31556957
|
|
5.37743585 2 4.16521410
|
|
374.49405320 2 17.37825451
|
|
-389.83846114 2 21.96153313
|
|
1.91671522 2 49.74424984
|
|
14.42906054 2 1.27579002
|
|
|
|
Cu GEN 18 2
|
|
6
|
|
11.00000000 1 35.47715926
|
|
-18105.91023962 2 21.73013363
|
|
18011.23386368 2 21.83870561
|
|
6.01228206 2 18.42008793
|
|
-5.01228206 2 1.78198604
|
|
390.24875182 3 20.58922180
|
|
6
|
|
-51.41016015 2 31.92243640
|
|
131.47547623 2 14.07215286
|
|
-100490.54220540 2 4.21909683
|
|
20675.75763691 2 3.56801887
|
|
263590.56712535 2 4.06536588
|
|
-183774.78117039 2 3.92650866
|
|
6
|
|
68.62159615 2 31.47726702
|
|
10.70810140 2 4.95987737
|
|
233.01753836 2 17.95562228
|
|
-258.78181256 2 26.97191776
|
|
12.01106739 2 46.85069031
|
|
14.75422657 2 1.35614623
|
|
|
|
Zn GEN 18 2
|
|
6
|
|
12.00000000 1 26.60492300
|
|
-196.98442222 2 17.93401272
|
|
89.18558790 2 36.25784521
|
|
6.19159911 2 49.96784160
|
|
-5.19159911 2 1.99109193
|
|
319.25907600 3 19.77027094
|
|
6
|
|
-177.37971474 2 32.01501166
|
|
269.42130045 2 23.08836163
|
|
60361.29701582 2 4.67975974
|
|
1343973.13568915 2 5.29114502
|
|
-619902.07009680 2 5.11539109
|
|
-784431.36064381 2 5.38368747
|
|
6
|
|
46.22045015 2 19.08371294
|
|
43.98275320 2 50.00000000
|
|
103.59052598 2 16.88459979
|
|
-129.86700605 2 37.83300205
|
|
11.83058445 2 5.11918008
|
|
15.44716451 2 1.45112568
|
|
|
|
Ga GEN 28 2
|
|
6
|
|
3.00000000 1 1.29464779
|
|
1852.96920182 2 1.20541500
|
|
-1856.15440251 2 1.17879070
|
|
-513.51787928 2 1.21964580
|
|
514.51787928 2 1.12868888
|
|
3.88394338 3 1.06946118
|
|
6
|
|
-10.41248284 2 0.75266853
|
|
13.44253658 2 0.82344143
|
|
-163070.82529640 2 1.96346903
|
|
118782.06261627 2 1.90761481
|
|
72439.51450979 2 2.00432013
|
|
-28149.75180125 2 1.83309310
|
|
6
|
|
-55.43707314 2 0.98715132
|
|
55.68679311 2 1.18143237
|
|
95.35935510 2 1.24163917
|
|
-111.55606197 2 1.48647971
|
|
6.22134153 2 1.87957113
|
|
10.97737885 2 2.24689865
|
|
|
|
Ge GEN 28 2
|
|
6
|
|
4.00000000 1 0.64699203
|
|
1042.65966555 2 1.17600365
|
|
-1045.50742663 2 1.40672708
|
|
-522.21837337 2 1.06148136
|
|
523.21837337 2 1.52689039
|
|
2.58796812 3 0.70634661
|
|
6
|
|
298.52031462 2 1.37488700
|
|
-295.91758286 2 3.05395101
|
|
-65778.83466330 2 1.99750874
|
|
253302.61962618 2 2.10159773
|
|
25864.29161720 2 2.35028323
|
|
-213387.07659768 2 2.16152517
|
|
6
|
|
-1416.87913796 2 1.43279054
|
|
1416.49405157 2 1.27947333
|
|
-4677.12774504 2 1.39756889
|
|
6758.57740664 2 1.50728327
|
|
-2630.12555402 2 1.70834188
|
|
549.67778384 2 1.92912262
|
|
|
|
As GEN 28 2
|
|
6
|
|
5.00000000 1 1.90897798
|
|
-8.55267316 2 1.59326524
|
|
3.44617934 2 1.10844459
|
|
-8.94709126 2 1.02625257
|
|
9.94709126 2 1.90897549
|
|
9.54488990 3 1.18318262
|
|
6
|
|
-299.57003383 2 1.31601774
|
|
303.89084920 2 0.88992491
|
|
34018.91875930 2 0.82417957
|
|
-44808.38727678 2 0.87058735
|
|
19528.43031171 2 0.91644709
|
|
-8737.95845690 2 0.77833472
|
|
6
|
|
46094.50987530 2 1.90902784
|
|
-46093.10097169 2 1.56895782
|
|
-1934.82978262 2 1.41134047
|
|
-240427.05172601 2 1.84187044
|
|
36043.17172862 2 1.53235052
|
|
206319.71069040 2 1.81590910
|
|
|
|
Se GEN 28 2
|
|
6
|
|
6.00000000 1 1.73885845
|
|
-4868.76631948 2 3.10952817
|
|
4860.07291481 2 2.76656612
|
|
247376.94576273 2 2.93723435
|
|
-247375.94576273 2 2.93039894
|
|
10.43315069 3 1.80783830
|
|
6
|
|
43.48906338 2 1.54256367
|
|
-36.07303722 2 1.99876644
|
|
-1338.16209913 2 2.22244851
|
|
88855.15492433 2 3.01653570
|
|
-93322.17292948 2 3.00370283
|
|
5806.18068397 2 2.62760372
|
|
6
|
|
101.24952978 2 1.51703915
|
|
-96.89194467 2 1.50669503
|
|
-561.81915381 2 2.17759706
|
|
1474.30831735 2 2.47900419
|
|
-87533.83638244 2 3.02701983
|
|
86622.34849171 2 3.03071493
|
|
|
|
Br GEN 28 2
|
|
6
|
|
7.00000000 1 1.29861066
|
|
-8.22129971 2 1.15959643
|
|
0.21335410 2 2.29768788
|
|
-14617.16154553 2 2.88622041
|
|
14618.16154553 2 2.88664159
|
|
9.09027461 3 1.38987227
|
|
6
|
|
1993.56030565 2 1.99554365
|
|
-1988.14839885 2 2.18330258
|
|
62338.94920254 2 2.78298975
|
|
91516.94063906 2 2.50252605
|
|
-109846.25447802 2 2.70576408
|
|
-44008.63516555 2 2.38434210
|
|
6
|
|
17.36412726 2 1.29580803
|
|
-14.67327121 2 1.60078690
|
|
-6128.76923065 2 2.16344915
|
|
12563.02678529 2 2.26961184
|
|
757.63553722 2 2.83383736
|
|
-7190.89195704 2 2.41971949
|
|
|
|
Kr GEN 28 2
|
|
6
|
|
8.00000000 1 6.82429532
|
|
2245.94610147 2 4.82301962
|
|
-2257.24927570 2 3.38163452
|
|
1889.52842356 2 3.29088128
|
|
-1888.52842356 2 4.98656184
|
|
54.59436254 3 3.01373570
|
|
6
|
|
-2003.10975854 2 6.01573226
|
|
2010.79212346 2 4.07497664
|
|
13467772.94730707 2 4.47273823
|
|
-18464141.82809087 2 4.45030979
|
|
-2607955.84552628 2 4.28291762
|
|
7604325.72641131 2 4.35368575
|
|
6
|
|
-6512.57971257 2 5.33963561
|
|
6517.54562224 2 4.41831473
|
|
55170.14413687 2 3.66247372
|
|
-35314.20447418 2 3.56293692
|
|
-27094.88743738 2 3.99199621
|
|
7239.94695795 2 5.23539786
|
|
|
|
Al GEN 10 2
|
|
6
|
|
3.00000000 1 0.90167530
|
|
-12.07740634 2 1.08338853
|
|
6.60507677 2 2.07851308
|
|
-13877404.00590185 2 2.08053590
|
|
13877405.00590186 2 2.08053570
|
|
2.70502591 3 0.92748596
|
|
6
|
|
-41.26842670 2 2.04866185
|
|
45.70193781 2 1.11866688
|
|
2946.69575922 2 1.71721106
|
|
-376.01922297 2 1.36753958
|
|
4331.41613799 2 1.93292012
|
|
-6901.09265568 2 1.86705782
|
|
6
|
|
504.79904464 2 1.88548919
|
|
-502.69536383 2 1.42616967
|
|
-769.46860271 2 1.80548694
|
|
-17.66088618 2 0.95520911
|
|
101.43853505 2 1.20112583
|
|
686.69150206 2 1.52824179
|
|
|
|
Si GEN 10 2
|
|
6
|
|
4.00000000 1 2.54461774
|
|
-2902.58084906 2 2.24978528
|
|
2895.18838752 2 2.53789008
|
|
7161.72254279 2 2.34887222
|
|
-7160.72254279 2 2.46336277
|
|
10.17847098 3 1.52421025
|
|
6
|
|
4.24352962 2 1.08064949
|
|
2.05989979 2 1.33341749
|
|
88608.14855737 2 2.39993059
|
|
-849.93508619 2 1.92845396
|
|
-1434647.87047626 2 2.35634772
|
|
1346890.65714548 2 2.35320332
|
|
6
|
|
-15264.86061936 2 1.82998100
|
|
15267.99758945 2 1.91566514
|
|
-0.49522434 2 1.35066217
|
|
2807.17037795 2 2.16756956
|
|
6912.45723497 2 1.79762600
|
|
-9718.13169060 2 2.03990309
|
|
|
|
P GEN 10 2
|
|
6
|
|
5.00000000 1 2.20104239
|
|
-14571.76154266 2 3.30954781
|
|
14561.08785293 2 3.65491917
|
|
-21023.88213100 2 3.60582863
|
|
21024.88213100 2 3.36814532
|
|
11.00521195 3 2.06883762
|
|
6
|
|
-214.99423753 2 3.00175595
|
|
224.31212541 2 1.90508764
|
|
-1320.42895216 2 2.23252373
|
|
2262.27394007 2 2.56842585
|
|
-5217.11058123 2 3.22957222
|
|
4276.26614237 2 3.32169865
|
|
6
|
|
-4655.41288683 2 1.51251059
|
|
4660.80718311 2 1.51289861
|
|
-994.25816078 2 3.31761981
|
|
-19.30793578 2 2.04639527
|
|
311.57919748 2 3.70626860
|
|
702.98798215 2 3.09154453
|
|
|
|
S GEN 10 2
|
|
6
|
|
6.00000000 1 3.76431332
|
|
518.21506704 2 2.91975646
|
|
-532.35656437 2 2.26777538
|
|
14394.84387811 2 2.49556645
|
|
-14393.84387811 2 2.51698479
|
|
22.58587994 3 2.71241239
|
|
6
|
|
-104.19902150 2 4.55895180
|
|
116.57081427 2 2.10503756
|
|
-994.81335242 2 2.63814508
|
|
2203.13414043 2 3.11140569
|
|
-1617.61176296 2 3.62963239
|
|
410.29160018 2 4.55921172
|
|
6
|
|
723.09548214 2 4.48128068
|
|
-715.46568241 2 3.35956681
|
|
9063.41201304 2 3.83857196
|
|
-16.38228027 2 1.92699416
|
|
44.06704522 2 2.30670170
|
|
-9090.09577098 2 3.92706305
|
|
|
|
Cl GEN 10 2
|
|
6
|
|
7.00000000 1 4.77392870
|
|
719885.76609499 2 4.74019033
|
|
-719903.82223984 2 4.74189768
|
|
-37102.89380181 2 4.67979490
|
|
37103.89380181 2 4.71510215
|
|
33.41750090 3 3.29732864
|
|
6
|
|
959.05010082 2 5.01134618
|
|
-943.54843009 2 3.64529189
|
|
-6456.16063099 2 4.20510279
|
|
637.70704529 2 2.74283267
|
|
-1479.66774202 2 3.00605599
|
|
7299.12201388 2 3.90198120
|
|
6
|
|
-121.63220275 2 3.86324469
|
|
131.70125226 2 3.08695111
|
|
5447.27282828 2 5.92092153
|
|
-52.94814165 2 2.63467524
|
|
559.83762330 2 5.08437179
|
|
-5953.16139883 2 5.86183616
|
|
|
|
Ar GEN 10 2
|
|
6
|
|
8.00000000 1 5.17746158
|
|
-76.72264736 2 5.90884243
|
|
56.16280755 2 3.53735685
|
|
-660.63282107 2 4.53072721
|
|
661.63282107 2 4.90879705
|
|
41.41969264 3 3.95156133
|
|
6
|
|
496.48392385 2 3.21092458
|
|
-479.29969508 2 3.39224537
|
|
-12086.26924659 2 4.28061928
|
|
37151.97923364 2 4.62803105
|
|
496310.90908097 2 5.10487541
|
|
-521375.61810527 2 5.08995306
|
|
6
|
|
-1901.02320099 2 5.53714820
|
|
1911.87432982 2 4.52372637
|
|
-127.53875733 2 2.45115265
|
|
198.78501467 2 2.62001527
|
|
-976.26297293 2 3.97593759
|
|
906.01814260 2 6.12659776
|
|
|
|
|
|
|
|
|