9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-19 17:23:25 +02:00
qp2/data/pseudo/tn_df_sc
2019-01-25 11:39:31 +01:00

293 lines
11 KiB
Plaintext

Sc GEN 12 2
8
9.00000000 1 18.44478556
-28.08765281 2 1.72227091
6.39250114 2 38.78217945
135.57316128 3 4.25767220
30.42990876 3 30.59237471
732.69856731 4 3.04901650
-839.18407578 4 3.26586693
306.02608763 4 19.55311974
8
-0.66275990 2 28.84167604
15.34001225 2 2.35022973
-2135.70086146 3 2.36887926
-272.32226474 3 1.53860208
2408.02312621 3 2.24659807
101.49528202 4 3.20659052
2308.19070504 4 1.65816906
-2392.74854053 4 1.70062176
8
253.56902450 2 1.38158346
-244.79525414 2 7.79906720
613.28437434 3 3.46268859
-167.40250936 3 1.44953060
-445.88186498 3 4.19986338
-558.92885001 4 2.84253773
-139.52186395 4 8.10103826
-860.39715397 4 5.29686620
Ti GEN 12 2
8
10.00000000 1 22.29649672
-72305.15340277 2 6.07562013
72279.39956641 2 7.08549167
-5.38004642 3 1.85317121
228.34501358 3 11.48488557
72347.84359974 4 6.58565089
-36.31015055 4 10.79509368
524.90430538 4 4.36759114
8
-1486.27686725 2 1.90199524
1504.05739312 2 3.17280244
-346.63236251 3 7.28185273
297.60206194 3 1.60782556
49.03030057 3 31.70876802
1363.17044217 4 2.57136209
173.13661454 4 15.10326471
408.87838151 4 10.51280239
8
770.58828172 2 4.79017059
-760.06500844 2 16.39428027
4131.47101858 3 2.73641831
-2.86068712 3 1.26533109
-4128.61033146 3 2.75566672
-4681.55429918 4 13.54811035
-216.64417046 4 3.18165696
-3871.27097394 4 7.38011991
V GEN 12 2
8
11.00000000 1 7.61152016
-2254.24090893 2 3.39807975
2224.02899636 2 6.97361870
-110446453.80565737 3 4.55862146
110446537.53237911 3 4.55862102
3279.23908558 4 3.96488312
110445429.80748074 4 5.79893896
-110440859.60674113 4 5.79892709
8
793493.20383269 2 1.90936932
-793472.27490442 2 1.96341714
-208.86387558 3 5.49944355
258.48298732 3 4.42141770
-49.61911175 3 2.27427679
-42873.55595686 4 1.93670396
-750668.26686351 4 13.81929388
750696.33209725 4 13.81951796
8
563.75098077 2 2.73920868
-551.25384718 2 8.34159772
565.60881231 3 6.86565518
-552.54712531 3 7.02672916
-13.06168700 3 1.72160118
766.15325384 4 5.21722741
-1341.96583800 4 3.64504781
-2478.29367021 4 6.45896159
Cr GEN 12 2
8
12.00000000 1 37.30558989
-31.65683900 2 2.72495980
-3.82112970 2 82.35078893
-1340.05228092 3 5.03605834
1787.71935961 3 8.49223479
1670.38275859 4 5.05934149
-297.67363866 4 11.22316422
-1773.64577915 4 12.78798168
8
1321.32584937 2 2.01494487
-1297.16280545 2 9.11769637
172456.79432585 3 2.74640213
-172130.54143941 3 2.73601029
-326.25288644 3 8.22966405
3318.19479259 4 8.93660753
-4964.77333719 4 4.18996691
-7518.15931266 4 8.08712175
8
426.08303476 2 2.13852920
-410.95463497 2 6.95873057
-26339.61341213 3 10.51865586
27348.01671881 3 10.59655900
-1008.40330668 3 12.57249470
-1190.97633771 4 3.81958382
-242.50982893 4 2.30397730
-515.04540222 4 8.50147041
Mn GEN 12 2
8
13.00000000 1 5.18371402
-578541.89058487 2 5.06065032
578503.38848415 2 6.70792867
-51913.84692424 3 6.17952209
51981.23520653 3 6.17539491
363344.02202434 4 6.42176078
267112.71548476 4 5.85884127
322304.52239107 4 5.30004030
8
1419.16815158 2 2.36735511
-1393.80593768 2 10.44777616
90835.30824196 3 3.38832573
-87236.54130341 3 3.33976449
-3598.76693855 3 4.59371397
-6244.54083570 4 4.53305698
1227.60592152 4 6.80451212
-6185.56255228 4 8.40561309
8
4024.75281098 2 2.94114594
-4009.68099577 2 7.86104996
6036.24229971 3 5.47734943
597.55987937 3 7.26632213
-6633.80217908 3 5.64966653
-8536.73955532 4 4.35053539
-2120.81538582 4 3.10976563
-9025.36229250 4 6.88076377
Fe GEN 12 2
8
14.00000000 1 5.12237041
-40.17016318 2 2.51511645
-1.31093574 2 68.88205922
233.53970769 3 8.04518971
-161.82652195 3 11.87602774
-1791.82033120 4 5.09693593
1599.45078669 4 4.72210640
1.03695301 4 1.70594204
8
26.70612465 2 1.98046097
0.57578912 2 129.99498266
3039.39666376 3 2.39996246
-3165.32503397 3 2.43500497
125.92837021 3 5.42607639
-291.65810402 4 8.00515516
391.88052787 4 5.38996549
27.51771082 4 21.57361672
8
624.99065580 2 2.73200743
-610.14663705 2 8.14205971
1017.89543597 3 6.81776145
-40.92293045 3 25.88593190
-976.97250552 3 5.88766735
-1433.26030940 4 3.94271278
-167.70300401 4 2.68547503
-1659.40792313 4 8.24853344
Co GEN 12 2
8
15.00000000 1 7.54679164
144513.79744165 2 3.67362404
-144558.25171900 2 4.84501436
107.53071842 3 2.40342575
5.67115611 3 26.17864786
-58433.23776581 4 3.80837544
-86187.09039425 4 4.51680318
-24877.11683436 4 4.40937071
8
95.23258759 2 2.24610518
-66.50913381 2 5.03497074
5039.10184384 3 3.22714612
106438.82887427 3 4.39051698
-111477.93071810 3 4.34028955
-3416.23892647 4 3.35420522
-108155.92422115 4 5.08283495
111451.19401338 4 5.04411598
8
595.60664332 2 4.48956443
-581.05689813 2 7.69628175
-1377.49199281 3 3.90883087
825.53641688 3 4.85597858
551.95557593 3 2.42496884
-403.44284159 4 2.48937518
360.79216631 4 7.08237042
-1755.31252545 4 7.01264199
Ni GEN 12 2
8
16.00000000 1 7.69817381
1050.11428773 2 7.53303210
-1144.28791364 2 25.60798551
13641.04856576 3 13.90272560
-13517.87778478 3 14.02243059
-99.93959073 4 5.40919366
-14590.22326277 4 19.39187326
-6702.20081903 4 10.04177364
8
-137324.04248861 2 3.00959957
137399.59146577 2 2.97820277
137895.50489379 3 3.20429852
-1036.38091066 3 8.22563766
-136859.12398313 3 3.17346613
1370.72380067 4 18.22958633
-904.80564965 4 6.63637638
-4552.45338879 4 4.01705177
8
-315.28909178 2 15.14825706
371.76324185 2 5.57172908
471.27416207 3 2.88437623
165.43855728 3 3.75784965
-636.71271936 3 3.41699124
-172.18113847 4 5.67830819
-148.24251004 4 2.70288433
-2384.29249546 4 8.91177457
Cu GEN 12 2
8
17.00000000 1 14.72121260
0.43564135 2 173.23217215
-51.26559465 2 2.58024469
3.82433122 3 80.09883693
246.43628291 3 9.08368916
6456.72306266 4 4.49885474
-6459.98303523 4 4.56436500
-53.55070822 4 20.14135032
8
-7.61322720 2 104.42478595
38.51618543 2 3.64199543
-12.00344193 3 52.46064977
288.99573247 3 4.33410703
-276.99229053 3 8.38373584
876.14551285 4 3.01347300
-1144.52462196 4 3.25680498
-386.35474053 4 59.52152812
8
142.97388030 2 48.08520852
-128.80933064 2 49.90034500
-186.15554307 3 11.18440029
180.45159943 3 5.04653753
5.70394364 3 85.01391269
101.90155258 4 3.06268644
-238.17133323 4 3.55821337
583.56858981 4 22.24622222
Zn GEN 12 2
8
18.00000000 1 16.25309578
-62.06001046 2 3.04359000
8.22443626 2 52.31604625
284.31836352 3 4.12635237
8.23736049 3 129.68855961
11442.99692797 4 7.94323624
-11664.25528103 4 7.74821809
462.64311342 4 34.44853266
8
140.30017448 2 3.16683649
-108.24959569 2 14.80839343
88.79372352 3 43.94225321
949.52154936 3 3.34122685
-1038.31527288 3 8.34153430
780.81282740 4 18.34782011
-1958.42831296 4 4.00418064
18.92059615 4 597.07325481
8
664.93623774 2 5.16678579
-651.12455824 2 11.88724380
930.96426186 3 7.96788974
-913.07841414 3 5.27302550
-17.88584772 3 127.63757255
3275.61040524 4 37.54266998
-3957.43240479 4 9.90068894
-3622.67126499 4 37.33250038