4356310a-9d6b-11e9-ba4a-002590a1b3a0
============================
I qbox wrk_scan6 I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I http://qboxcode.org I
============================
wrk_scan6 presto
Linux
c38.local
2019-07-03T08:19:22Z
c38.local
c38.local
c38.local
c38.local
c38.local
c38.local
c38.local
c38.local
c42.local
c42.local
c42.local
c42.local
c42.local
c42.local
c42.local
c42.local
c47.local
c47.local
c47.local
c47.local
c47.local
c47.local
c47.local
c47.local
c37.local
c37.local
c37.local
c37.local
c37.local
c37.local
c37.local
c37.local
c35.local
c35.local
c35.local
c35.local
c35.local
c35.local
c35.local
c35.local
c19.local
c19.local
c19.local
c19.local
c19.local
c19.local
c19.local
c19.local
c44.local
c44.local
c44.local
c44.local
c44.local
c44.local
c44.local
c44.local
c09.local
c09.local
c09.local
c09.local
c09.local
c09.local
c09.local
c09.local
[qbox] set nrowmax 32
[qbox] load ../../atomset/s0012/md080.xml
LoadCmd: loading from ../../atomset/s0012/md080.xml
XMLGFPreprocessor: reading from ../../atomset/s0012/md080.xml size: 33755
XMLGFPreprocessor: read time: 0.003005
XMLGFPreprocessor: local read rate: 0.1672 MB/s aggregate read rate: 10.71 MB/s
XMLGFPreprocessor: tag fixing time: 3.91e-05
XMLGFPreprocessor: segment definition time: 0.06766
XMLGFPreprocessor: boundary adjustment time: 5.007e-06
XMLGFPreprocessor: transcoding time: 9.537e-07
XMLGFPreprocessor: data redistribution time: 0.8674
XMLGFPreprocessor: XML compacting time: 0.0005119
XMLGFPreprocessor: total time: 0.9413
xmlcontent.size(): 33755
Starting XML parsing
species oxygen:
PSGen-1.6.0 pseudopotential: HSCV O xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:11Z
psgen arguments:
-element O -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=0.8
O
8
16
6
1
1
0
0
0.01
Kleinman-Bylander potential
rcps_ = 1.5
species hydrogen:
HSCV PBE Deuterium
PSGen-1.6.0 pseudopotential: HSCV H xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:24:50Z
psgen arguments:
-element H -xc PBE -smooth_v -bound l=0:rc=0.5
D
1
2.014
1
0
0
0
0
0.01
local potential
rcps_ = 1.5
XML parsing done
SampleReader: read time: 0.9949 s
[qbox] set ecut 85
[qbox] set wf_dyn PSDA
[qbox] set xc SCAN
[qbox] set ecutprec 4
[qbox] set scf_tol 1.e-9
[qbox] run -atomic_density 0 50 10
EnergyFunctional: 144 144 144
EnergyFunctional: vft->np012(): 2985984
|
reciprocal lattice vectors
0.267825 0.000000 0.000000
0.000000 0.267825 0.000000
0.000000 0.000000 0.267825
kpoint: 0.000000 0.000000 0.000000 weight: 1.000000
sdcontext: 32x2
basis size: 85355
c dimensions: 86368x256 (2699x128 blocks)
0
BOSampleStepper: start scf iteration
512.00000000
-12.65602155
-74.89773358
-83.77946352
-154.22906401
-218.92936864
-267.36367614
-305.36647052
-340.83726837
-374.40610346
-403.37751259
-1207.69835523
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-272.76378432
-278.79074556
-286.91846586
-290.49697844
-294.54459687
-297.30868459
-299.59339385
-301.35207090
-302.79961176
-303.93662986
-1149.25100113
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.97465997
-73.29062685
-88.19003679
-107.75798425
-112.15926868
-116.43221715
-117.64148203
-1132.35121819
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.31215138 0.14130469
-187.83315870
-192.84835075
-200.52473818
-202.41558462
-204.19868443
-204.78576232
-1102.92865366
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.17746564 -0.73418636 0.13266643
-178.96880343
-179.24419219
-179.60157058
-179.66884538
-1100.26087311
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.00590294 0.00461037 -0.05754617
-170.92203248
-170.96220766
-1100.12126669
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.64828028 0.05602186 -0.01562117
-167.99377838
-168.01353727
-168.05214236
-168.07760559
-168.08305419
-1100.42808611
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.33324978 0.13272261 0.02145447
-171.02770993
-171.03387111
-1100.37044201
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.98896551 -0.03763997 -0.11330852
-172.93663894
-172.94244519
-1100.38424836
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77207715 0.48562509 -0.18189499
-172.22251287
-172.22402393
-172.22683271
-172.22860835
-172.22920947
-1100.42168472
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.86589512 0.31409443 0.26636995
-170.10492046
-170.10727911
-1100.40250644
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.61162824 0.58064695 -0.46885857
-170.00478142
-170.00526088
-1100.41129975
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.49301073 0.22106915 0.00379514
-170.46497299
-170.46504026
-1100.41240792
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.79574593 0.10964328 -0.06006065
-170.67953573
-170.67957000
-1100.41264451
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.62338150 0.51217178 -0.14864102
-170.55647556
-170.55648674
-1100.41271413
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.49603367 -0.34033294 0.01407826
-170.52494019
-170.52494717
-1100.41276524
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.74381224 0.31715732 -0.04236391
-170.55738378
-170.55738730
-1100.41280030
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.86642305 0.34808572 -0.19172506
-170.56233893
-170.56234097
-1100.41282432
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.93653833 -0.01136644 0.09634824
-170.56517996
-170.56518126
-1100.41284073
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.75674161 0.06030951 -0.01399954
-170.56848247
-170.56848329
-1100.41284911
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.79562136 -0.25339267 0.31161857
-170.56977206
-170.56977257
-1100.41285424
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.22895253 -0.70902886 0.31000319
-170.57031158
-170.57031190
-1100.41285747
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.95734960 0.17804841 0.01530799
-170.57032476
-170.57032497
-170.57032551
-170.57032639
-170.57032695
-170.57032696
-1100.41286351
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.76331290 0.14442926 -0.01510731
-170.57034688
-170.57034688
-1100.41286356
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.31723558 0.63460329 0.26122219
-170.57027647
-170.57027647
-1100.41286357
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.05533737 0.32084889 0.85709393
-170.57038949
-170.57038949
-1100.41286358
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.63795448 -0.50597397 0.08192518
-170.57083902
-170.57083902
-1100.41286356
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.29748392 -0.10137295 -0.79785863
-170.57109480
-170.57109480
-1100.41286355
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.68632681 0.17388136 0.04706643
-170.57110101
-170.57110101
-1100.41286356
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.70269830 -0.43000052 0.19727315
-170.57109616
-170.57109616
-1100.41286356
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.89527304 0.42329874 -0.09868327
-170.57115244
-170.57115244
-1100.41286356
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.54226498 -0.68742101 0.40390311
-170.57118876
-170.57118876
-1100.41286356
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.59893517 0.40883775 -0.11565905
-170.57116460
-170.57116460
-1100.41286356
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.33714025 -0.59940426 0.36499936
-170.57113466
-170.57113466
-1100.41286356
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.73583274 0.28692157 -0.07165124
-170.57113021
-170.57113021
-1100.41286356
BOSampleStepper: end scf iteration
805.30727425
0.00000000
-1309.77019017
127.01858640
-451.32290810
-271.64562594
94.75172937
646.81841729
0.00000000
0.00000000
-1100.41286356
0.00000000
0.00000000
-1100.41286356
17.30627311 -2.87077766 4.46147169
0.00008185 -0.00020430 -0.00010987
0.01559793 -0.00095099 -0.00627921
-8.38494639 3.98370113 -1.41711767
-0.00022434 -0.00010218 0.00001429
-0.01054075 0.00371181 0.00169724
-28.33974435 8.42064572 11.90213928
0.00019414 0.00002589 0.00010229
-0.02630289 -0.01723139 -0.01016056
15.90695958 15.25527879 1.75373632
0.00023493 0.00026988 0.00005170
-0.02532145 0.02546683 -0.02449173
-12.87585047 24.58636650 -32.70456560
0.00008473 0.00034696 -0.00005862
-0.02313481 -0.00529187 -0.00543233
12.36916287 11.48959483 2.47370675
0.00001606 -0.00006959 -0.00017983
-0.04851016 -0.02189586 -0.01802738
9.59848266 -22.46448944 8.60050056
0.00031337 0.00039340 -0.00028264
0.01390813 -0.02712508 0.03458891
18.57118474 8.85554382 -17.33556662
0.00018960 -0.00020752 0.00011492
-0.00335450 0.01028382 0.01416408
12.61589873 4.38658318 -40.37650084
0.00000625 -0.00010058 -0.00020383
0.00370511 0.01510250 0.00570307
-8.60808520 6.85718964 2.84586958
-0.00008681 0.00005159 -0.00000838
-0.00933762 0.00186747 -0.03439773
-17.90410153 -26.37945497 23.05193102
0.00014785 0.00038365 0.00012010
-0.04671637 -0.01636888 0.03379596
-4.29000416 15.48271653 -10.80962736
-0.00001761 0.00001523 -0.00017573
-0.00104948 -0.03634805 -0.00851265
-4.71094304 -3.54888079 -9.39750790
0.00039641 0.00014227 0.00028004
-0.00142903 0.07705173 0.03802329
-18.67751503 24.18023941 -6.65437737
0.00014629 -0.00016815 0.00002904
0.03072646 0.00509107 0.00355687
-6.28807473 14.09617359 6.08243512
-0.00000701 0.00009510 -0.00037390
-0.02692794 -0.01525833 0.02349462
13.57328283 38.44582808 9.76901330
0.00003894 0.00008925 0.00017800
-0.01643162 -0.06955059 -0.03579139
15.83512581 0.89642860 13.92600264
0.00019050 0.00035897 -0.00024840
0.04774938 -0.04601140 -0.00924698
31.96605085 -5.46458307 3.12993202
0.00001322 -0.00015266 -0.00012612
-0.01091298 -0.02580556 -0.02189651
-7.54260936 28.43666898 -6.38725531
-0.00027579 -0.00007696 -0.00001136
0.00467462 -0.00979342 -0.01006911
-5.64418634 -0.27812659 -2.94362982
0.00002766 -0.00002062 0.00010381
-0.02372520 -0.00145835 -0.03049074
1.18725790 -1.28788012 24.68953578
0.00010261 -0.00040912 -0.00026893
0.02659036 0.00914144 -0.00108018
1.20412969 7.12433678 -5.95669387
0.00044756 -0.00013841 -0.00025371
0.00174184 0.01447700 0.00347613
-17.45758305 11.50481043 24.99193832
-0.00000202 0.00005392 -0.00002718
0.01647120 -0.00908095 -0.03115612
14.06748739 19.23855074 16.27112376
0.00003166 0.00005083 0.00013399
-0.00783521 -0.02640149 0.00916813
-3.29181460 -3.62071805 -0.27825385
-0.00008827 -0.00002269 -0.00002124
-0.03140200 0.02666800 0.04135003
16.30628761 3.93313248 9.91862402
-0.00002608 0.00016280 -0.00009919
-0.00046637 0.00233210 -0.01613515
5.74323770 13.08410998 -5.83484637
-0.00021247 0.00029286 -0.00009319
-0.00385241 -0.01472125 0.01351544
4.82423973 7.66156109 4.18492225
-0.00000850 0.00015312 -0.00025155
-0.01422741 -0.01339381 0.02651496
9.18519129 5.85918124 1.57500716
0.00025343 -0.00002086 0.00001418
0.00677301 0.00329121 0.02947656
-0.24818300 19.48234688 -6.70304256
0.00009672 -0.00000102 -0.00008209
-0.00480846 0.02884560 0.02014762
-1.39217467 1.04953205 12.36123830
0.00001457 -0.00012076 -0.00046406
-0.01952521 -0.01770443 0.01631816
-19.66533889 -7.67860648 22.86164952
-0.00005308 0.00009078 0.00020923
0.01764796 -0.00024513 0.01668045
3.47409981 12.53201189 13.02649108
-0.00002549 -0.00022721 0.00004391
0.03374276 0.00584867 0.02895388
-5.00196257 13.17276664 -1.87840590
-0.00052421 -0.00013685 0.00016057
0.04212691 0.04917877 0.01058169
8.64254625 6.84566180 7.68239605
-0.00022631 -0.00030258 -0.00005924
0.00198214 0.00980609 -0.03532301
10.97356651 0.94514400 23.40847501
-0.00033353 0.00016202 0.00010844
0.00165472 0.00183671 0.00676624
25.83978011 3.23619054 -1.04193329
0.00008534 0.00011526 -0.00012308
0.03229106 -0.03573865 -0.01758249
-11.95650067 -4.37915802 -11.48266260
0.00016091 -0.00010227 -0.00004760
-0.01329266 -0.01314354 -0.00369258
15.20141680 -11.28470733 -9.68684095
0.00022186 0.00009856 0.00016728
0.01518623 -0.00166334 0.01275772
-0.29300627 -37.99458829 12.83220032
-0.00024318 0.00008979 0.00017547
0.02599158 -0.00155593 -0.01350195
-24.08610422 11.18195138 4.06041562
-0.00009888 -0.00007046 -0.00001682
0.01111766 0.02057605 0.00518191
-26.05742447 3.60931884 5.47056627
-0.00023904 0.00009105 0.00028923
-0.04179365 0.01533415 0.00075795
6.22061876 -7.30920083 30.19046496
-0.00006268 0.00001957 0.00002846
-0.00606448 -0.04998112 0.03633992
-0.02059415 2.46017300 -4.97711301
0.00028462 0.00006629 0.00002676
-0.05681858 -0.01356987 -0.01809747
-13.66741016 -7.63430311 -5.33680973
-0.00009956 -0.00025681 0.00047142
0.02730439 0.00460443 0.01447817
2.77007266 -1.96638633 12.76698765
-0.00003883 -0.00017010 0.00001785
0.00066575 -0.00045445 0.01684693
-17.09820303 18.98122667 10.72015708
-0.00003575 0.00003365 -0.00011947
0.00901626 -0.00400327 -0.00416697
-1.92816144 17.57786178 6.82015984
0.00001065 -0.00007481 0.00008925
0.00679652 0.00018514 -0.00224806
5.70583510 8.66507587 -4.24106209
0.00021363 0.00020339 -0.00006294
0.01089171 -0.01717049 -0.00539098
-11.29140224 -1.66964634 -18.49096634
-0.00024317 -0.00005111 0.00014360
-0.00457860 0.00645061 -0.03186866
0.11172730 -0.97625922 -17.71081950
0.00026683 -0.00005504 0.00017642
0.00169541 0.06023692 0.00644680
7.18929768 8.88365951 -11.44923960
-0.00000578 0.00017095 -0.00003251
0.01900088 -0.00740854 -0.02424616
1.19467726 29.40118541 -15.73802926
0.00010867 0.00020266 -0.00012363
-0.01340789 -0.00170397 0.05341008
-10.31747925 -4.53352272 -0.36915313
0.00019003 0.00011073 -0.00014670
0.01050986 0.01481244 -0.02619857
-3.94602757 -15.91200578 -27.46779391
0.00028338 0.00000168 -0.00024445
-0.03040929 0.00069614 -0.03881276
-14.10822730 -2.03278674 18.90430679
-0.00000720 -0.00007879 0.00014023
0.01210829 0.00065655 -0.00181515
-8.79849842 14.03410763 -5.23604423
-0.00006606 0.00003899 0.00003481
-0.02266736 0.02501257 -0.02430901
22.18114581 6.72469867 0.70886163
0.00001685 -0.00021791 -0.00013488
0.01944970 0.00213718 0.02036709
-22.76472597 -7.04229634 11.34662855
-0.00032887 -0.00010554 0.00006971
0.00820832 0.03049391 -0.00942946
1.88428560 -8.03232348 27.56419019
-0.00024378 0.00013273 -0.00037695
-0.00294841 -0.00509112 0.00840339
-0.65644322 -7.01227719 -2.78473113
0.00008362 -0.00030661 0.00011366
-0.01916967 -0.01362325 0.00827024
-10.76191469 7.45945145 13.42285714
-0.00015271 0.00011465 0.00008582
-0.04610541 0.03264330 0.00252645
9.77657512 11.82364386 6.98566809
-0.00022035 -0.00039907 0.00027120
0.00907248 -0.00236514 0.02652241
7.57998072 5.17803915 -7.72220306
-0.00026227 0.00012820 0.00006808
-0.01320833 0.01352382 0.00629335
17.98684243 -3.14640120 6.14086959
0.00027086 0.00070975 -0.00002436
-0.00147560 -0.00197861 -0.00568859
15.52203890 -2.55417541 4.64096828
0.00033061 -0.00081325 -0.00086781
-0.01443811 0.00433421 0.00759454
-8.21620657 4.86703448 -3.05708045
0.00021921 -0.00004224 -0.00040961
-0.00176084 -0.00564065 0.00451122
-7.31773113 2.50356955 -1.69300216
-0.00036700 -0.00063318 -0.00109617
0.00749513 -0.00514207 -0.00000080
-28.76135050 8.35903657 10.10428920
0.00033956 -0.00008475 0.00041528
0.00497731 0.00789132 -0.00547138
-29.66161754 9.45573164 12.67499473
0.00033124 0.00020073 0.00013150
0.00108952 0.00586761 0.00265970
16.39734696 15.05599512 3.55839086
-0.00068523 0.00060110 -0.00026019
0.00061451 0.00369876 0.00230313
15.17936811 16.97307469 1.31016041
-0.00032639 -0.00024067 0.00080017
0.00818630 -0.02790465 0.01054475
-11.08597259 24.32370528 -32.93623062
-0.00005975 0.00030426 0.00015963
0.01587562 0.00226998 -0.00177601
-13.61426667 24.57240245 -34.41859407
-0.00050758 -0.00076322 0.00017442
0.00811788 0.00150318 0.00662599
10.59735017 11.32454878 1.66650904
0.00092483 -0.00074898 -0.00004090
0.04416393 0.00876604 0.01662451
13.24822001 12.96901431 1.81013652
0.00054904 -0.00093376 -0.00000797
0.00499446 0.00831765 -0.00418363
10.09637384 -21.05721831 7.61973093
-0.00005849 -0.00093943 -0.00040718
0.00276217 0.02788174 -0.01999415
8.05125501 -23.18320230 8.09321978
0.00035758 0.00132142 0.00051100
-0.02416097 -0.00245209 -0.01030049
17.66147238 7.97859330 -18.65786860
0.00099108 0.00003913 0.00065352
-0.01056737 -0.00028657 -0.00775815
18.02495567 10.64543101 -17.43441432
-0.00010571 0.00011600 0.00007392
-0.00053340 -0.00911679 -0.00130274
11.50341675 5.63653348 -39.47331504
-0.00004291 0.00027611 0.00030349
0.00377278 -0.00921813 -0.01447794
13.09823438 5.27016974 -41.97918917
-0.00010861 -0.00070090 0.00025253
0.00433287 0.00037361 0.00614486
-9.60003728 8.45758876 2.37923329
0.00084854 0.00048255 -0.00067626
0.01682313 -0.02450682 0.00635418
-8.53568180 5.71208457 1.23450205
-0.00055222 -0.00019537 0.00006282
0.00090464 0.02740903 0.02605348
-17.54419760 -24.93094232 22.10498648
0.00060689 0.00005671 0.00032357
0.01463547 0.02264651 -0.02225666
-19.74577451 -25.83959725 23.81509951
-0.00023139 0.00000298 -0.00037892
0.03228502 -0.00721076 -0.00540735
-5.24270581 13.75566055 -10.90874900
0.00040093 0.00046651 -0.00049739
0.03368922 0.04241692 0.00790411
-2.36979326 15.44197192 -10.81161663
-0.00017422 -0.00015348 0.00083175
-0.02931853 -0.01057700 -0.00689926
-3.36690548 -3.55536328 -8.08225291
-0.00008386 0.00095997 -0.00021606
-0.00223183 -0.01391495 -0.01213972
-4.83835610 -5.11759619 -10.25946495
0.00017258 -0.00008506 0.00050341
0.00512711 -0.04250852 -0.01254605
-18.92578661 23.44147263 -8.29131227
0.00037783 0.00071415 0.00025352
0.00525908 -0.01694509 -0.01886818
-20.35130004 24.72420657 -6.41566543
-0.00005025 0.00094534 0.00061937
-0.03556727 0.01522014 0.01984550
-4.91731083 15.14888669 6.58146332
0.00029541 -0.00017589 0.00008884
0.02918084 0.01461769 0.00417864
-7.60404203 14.61177085 7.37372102
0.00037143 -0.00013909 0.00042533
0.00605028 -0.01048597 -0.01023388
11.93076510 37.49887023 9.16714595
0.00001060 -0.00120585 -0.00035602
0.03531660 0.02661638 0.01020417
13.18498804 40.06949257 10.35967457
0.00069911 -0.00057197 0.00024896
-0.02208736 0.04021044 0.00995111
17.15327291 -0.66307900 13.80299714
-0.00111663 0.00004956 -0.00046517
-0.03979923 0.03723762 0.00394647
16.05575552 1.74104258 12.23431091
-0.00016505 -0.00112033 0.00009878
-0.00575091 0.00451826 0.00513869
31.01138603 -4.78687812 1.71284272
-0.00029350 -0.00011008 0.00063062
-0.00596520 0.00715193 -0.00388232
33.23957241 -4.25193771 3.38345934
-0.00045456 0.00018608 0.00025447
0.02849372 0.02516762 0.01496069
-8.87053536 29.30383055 -7.30704309
-0.00042487 0.00015179 0.00005537
-0.00630012 0.00569347 -0.01100450
-7.14650321 26.91668761 -7.45280692
0.00043892 -0.00028120 0.00055497
-0.00805087 0.00915805 0.00648512
-4.96254171 -1.68179938 -1.89924685
0.00007197 0.00034977 0.00038151
0.00289638 -0.00312297 -0.00937801
-6.78602573 -1.04171326 -4.27907588
0.00014089 -0.00003832 0.00025123
0.02486299 0.01247027 0.02904216
-0.02858445 -2.48914131 24.11185493
0.00018226 -0.00118642 -0.00036457
-0.01995139 -0.00907091 -0.01138902
0.68992781 -0.99973823 26.55777609
-0.00040703 0.00126180 -0.00057238
0.00658236 -0.00532942 -0.00180531
1.23710650 5.27819490 -5.76522880
0.00002586 -0.00109815 0.00040007
-0.00732378 -0.00458239 -0.00179570
-0.33966606 7.54620890 -4.97950055
-0.00023939 0.00015523 0.00067045
0.00321411 -0.00223155 -0.00584618
-17.73975326 13.28074065 24.78997502
-0.00054678 -0.00072761 -0.00014552
-0.00267205 0.01396985 -0.00112196
-17.31500400 10.97557142 23.19656340
-0.00069889 -0.00034406 -0.00007462
-0.00502335 -0.00085235 0.01744358
15.63186778 19.96615211 15.70315953
-0.00014068 -0.00042586 -0.00117331
0.01653176 0.00265784 -0.01031505
14.46305096 17.39709811 16.28563506
0.00009651 0.00028704 0.00051033
-0.00046015 0.01534829 0.00866301
-2.98939615 -5.37808998 -0.45855262
-0.00009324 0.00072238 -0.00041207
0.00601600 -0.02100891 -0.01079316
-4.40565391 -3.42757525 1.26203728
-0.00028950 0.00010136 -0.00001196
0.01537234 -0.00442529 -0.01044695
15.01872572 4.43883703 8.54534483
0.00008225 0.00055742 0.00031835
0.01111520 -0.01007720 0.01788434
16.88837211 5.43337073 10.81908950
0.00056361 0.00056228 -0.00013753
-0.00655820 -0.00414374 -0.00138417
6.00056738 11.08944163 -5.49213399
-0.00020223 -0.00067763 0.00078464
-0.01213389 0.02984525 0.00597893
4.70151030 13.68622747 -4.38895569
0.00010335 -0.00060911 0.00124152
0.01194101 -0.00794699 -0.01477174
5.83109032 6.60924605 3.10663661
-0.00031160 0.00044094 0.00022149
0.00745554 -0.01170011 -0.00776626
5.09192470 9.31356068 3.49094919
-0.00041934 0.00007593 0.00040376
-0.00095875 0.01793712 -0.00825689
10.06449589 4.26102589 1.59849573
0.00038408 -0.00023687 -0.00054876
-0.00186897 -0.00780376 -0.00095903
8.75340892 6.04183238 -0.13409188
0.00026243 -0.00070027 -0.00118026
-0.00805903 0.00272527 -0.02970422
0.86813481 19.84048800 -8.12753838
-0.00065178 0.00055368 -0.00034292
0.00555364 0.00001948 -0.00698659
0.11475229 20.94475584 -5.52720987
-0.00040791 -0.00010854 0.00042236
-0.00720714 -0.02492743 -0.01819446
-2.50302387 -0.20699752 13.25539212
-0.00101587 -0.00042631 -0.00011956
0.02052672 0.01390442 -0.01457872
-2.65760786 1.99747892 11.44256693
0.00043805 -0.00059832 0.00103265
0.00336497 0.00530390 -0.00619771
-18.96836705 -5.95347530 22.74033680
0.00010330 0.00117178 -0.00068679
0.00146875 -0.00067568 -0.00985383
-20.00308066 -7.81053930 24.73575640
-0.00041777 0.00093202 0.00003848
-0.01503964 0.00079792 -0.01147370
4.12116211 12.78676489 14.87045576
0.00046160 0.00069793 0.00087334
-0.01072521 -0.00218570 -0.03268771
2.36926288 11.06710587 13.07768947
-0.00044804 0.00040080 0.00015031
-0.01508417 -0.00195922 -0.00370843
-3.38951366 14.38062061 -1.71026172
-0.00029292 0.00035035 0.00101520
-0.04034229 -0.04065920 -0.02165028
-6.00117770 13.98903449 -0.47272192
-0.00057466 -0.00013838 0.00023651
0.00105557 -0.01266643 -0.00222719
7.59670858 7.40958651 6.20517793
-0.00047001 0.00009267 0.00057938
0.00211407 -0.00949532 0.01316699
7.69907084 7.29261229 9.14665409
0.00021371 -0.00015687 -0.00050461
-0.01412020 0.00846742 0.02584725
12.57722815 1.80411842 23.11107321
-0.00015463 -0.00121283 0.00051753
0.00049089 0.00684817 -0.00364425
10.76191866 0.03301121 21.84075463
0.00024164 0.00068162 0.00014672
-0.00760489 -0.00989515 -0.00482947
25.61405799 1.65611488 -0.09182255
-0.00042972 0.00082537 0.00008496
-0.00047931 -0.00042680 0.00073289
24.93983685 4.42731932 -0.11406168
-0.00061430 0.00026884 -0.00126244
-0.02461107 0.03819127 0.02472627
-11.95581813 -2.58950757 -11.77952433
-0.00007443 0.00002666 0.00060095
-0.00059552 0.00679102 -0.00354689
-11.16913703 -4.55967539 -9.80842510
-0.00052622 -0.00038142 -0.00078485
0.00104669 0.00762367 0.00005533
15.17564651 -10.31650003 -7.98861839
-0.00029354 -0.00039246 -0.00021035
-0.00577757 -0.01669526 -0.01542496
14.48606548 -10.19293940 -10.99370170
0.00002139 -0.00037367 -0.00003752
-0.00283976 0.00589348 -0.00530118
0.14152692 -38.67424403 14.49213366
0.00080233 0.00005452 -0.00042557
-0.01121751 -0.00755026 -0.00106342
-2.07750824 -38.24272446 12.29568654
0.00004214 -0.00028738 0.00060758
0.00811552 0.00153412 0.01727933
-23.67972622 10.16644335 2.65299833
-0.00016121 0.00055873 -0.00019421
0.00882374 -0.01302740 -0.02754831
-25.19041991 10.06276044 4.94664039
-0.00023870 -0.00111492 0.00044154
-0.01821636 -0.00683076 0.01742065
-27.97372144 3.89133452 5.58657111
-0.00045101 0.00077728 0.00016832
0.04673016 -0.00832116 0.00277073
-25.26092009 4.81161441 6.69442053
0.00047471 0.00033831 0.00010302
-0.00009553 -0.00626339 -0.01212948
7.00240424 -6.56679031 28.71314392
-0.00024290 0.00050431 0.00028340
0.01530465 0.01559520 -0.01674658
6.97166463 -9.05661012 30.25251091
0.00086567 0.00008016 -0.00025902
-0.00628853 0.02051119 0.00227598
-1.96438957 2.44750163 -5.24423092
0.00006159 -0.00025595 -0.00022144
0.05255854 -0.00037007 0.00806367
0.28696092 2.56198438 -3.11581028
-0.00110021 -0.00006187 0.00008903
0.00718294 0.00330712 -0.00445822
-14.18165634 -6.00724327 -5.95554952
-0.00038391 -0.00037812 -0.00102272
-0.00783008 0.00332812 0.00248718
-15.06994331 -8.81184128 -5.49935588
0.00001764 -0.00000674 0.00012939
-0.01369248 -0.00303492 -0.00446553
1.64706021 -0.60880382 12.20264486
-0.00045166 -0.00106207 -0.00131311
0.00669435 -0.00243301 -0.01215881
4.24080650 -2.50703760 11.69360350
0.00075510 -0.00030047 -0.00040567
-0.01169385 0.00252953 -0.00344017
-15.82434244 18.73316470 12.01277034
0.00018375 -0.00009850 0.00090611
0.00493716 -0.00109013 -0.00606073
-16.85646702 17.62043123 9.38606224
-0.00102112 0.00037310 -0.00003264
-0.00509555 0.01587384 0.00607505
-0.88460262 17.43826812 8.35818278
-0.00024142 -0.00042082 0.00028427
-0.00527245 -0.01040032 -0.00568241
-0.80159401 16.96580728 5.43703848
0.00044120 0.00029451 -0.00107834
-0.00113240 0.00382586 0.01233471
3.92836385 7.98833239 -4.51601509
-0.00026264 -0.00048973 0.00011478
0.01342888 0.00253121 -0.00676575
6.94248821 7.38860035 -4.91902495
0.00027170 0.00061761 0.00015132
-0.02282485 0.01153996 0.00271698
-11.24041680 -0.70863418 -20.15068370
0.00005224 0.00067040 0.00016832
-0.00879217 -0.01328802 0.02811784
-12.16958530 -0.59387499 -17.23514600
0.00057747 -0.00088439 0.00005616
0.00783643 -0.00450975 -0.00549577
-0.96183223 0.59898430 -17.39536573
0.00058870 0.00124036 0.00033294
0.01441099 -0.02071540 -0.00707476
-0.90885943 -2.36071764 -17.28195101
-0.00043040 0.00013127 0.00025653
-0.02190404 -0.03437734 0.00984627
7.21202043 7.95393783 -9.90414943
-0.00055869 -0.00028520 -0.00017858
-0.01516828 -0.00775465 0.01647479
6.13410070 10.36105302 -11.36541549
0.00006526 0.00066110 0.00098185
-0.01329998 0.01183477 0.01027089
2.35178314 30.46057415 -16.64725370
-0.00071087 -0.00034266 -0.00037835
0.00907560 0.00660883 -0.00973248
1.11841986 30.09382482 -13.92857434
-0.00027212 -0.00013702 0.00065681
0.00265246 -0.00973047 -0.03778094
-12.01036848 -5.05701097 -0.80480811
0.00010623 0.00074962 0.00055724
-0.00630907 -0.00449305 0.00339410
-9.75167029 -3.86154345 -2.00868245
0.00043721 -0.00045690 -0.00102519
0.00011616 -0.00368598 0.01315225
-5.13726422 -16.59698470 -28.94218792
-0.00028826 -0.00034233 -0.00016768
0.02729969 0.00535201 0.03998197
-4.31446303 -14.09735706 -27.62837175
-0.00009501 0.00005300 0.00046215
0.00523039 -0.00593502 0.01258742
-12.78096814 -2.03883375 17.64585110
-0.00030170 -0.00009800 -0.00027081
0.00533594 -0.00178694 -0.00260160
-15.07860410 -0.58783272 18.35956537
0.00016142 -0.00025291 0.00025971
-0.01111618 0.00231022 -0.00442574
-10.27843782 15.04793403 -4.72021942
-0.00095699 -0.00004302 0.00067376
0.00035025 -0.01374851 -0.00041612
-7.61332861 13.80083212 -3.90416324
-0.00048542 0.00000412 -0.00032828
0.02692243 0.00055145 0.02298314
20.77245868 6.55441065 -0.37537622
0.00037156 -0.00061505 -0.00001228
-0.02192283 0.00322706 -0.02190828
21.73262633 5.70813703 2.18675509
0.00070673 -0.00084141 0.00015620
0.00072335 0.00107178 0.00215207
-21.36810357 -8.19310202 11.73753517
-0.00011463 0.00031361 -0.00028528
-0.00076856 -0.01300285 0.00334594
-21.90983448 -5.36937267 11.25962317
-0.00074186 0.00015706 -0.00010804
-0.00933568 -0.01334181 0.00725323
3.12575464 -7.89325788 29.00771003
-0.00103136 -0.00006013 0.00001364
-0.01247598 -0.00844112 -0.01450208
0.72138013 -9.57674415 27.65228398
-0.00011702 0.00058049 -0.00011721
0.02299438 0.00740325 0.00642420
0.93035485 -7.53546445 -2.05879851
0.00077569 0.00037167 -0.00020485
0.01586599 -0.00158380 0.00742207
-0.33223938 -6.54328317 -4.51394845
0.00059833 -0.00014246 -0.00029047
-0.00083057 0.00506761 -0.00825511
-10.31442185 9.33930959 13.22099612
0.00116436 -0.00017746 0.00071036
-0.00481764 -0.03305390 0.01074380
-12.74217981 7.55828818 13.51883457
-0.00030458 -0.00042753 -0.00053713
0.06086761 -0.00094348 -0.00660945
9.93094353 10.04228004 7.69287506
0.00041229 0.00027438 0.00046666
-0.00335597 0.02429308 -0.01967633
10.75908294 11.98958489 5.43030071
0.00086327 -0.00009552 0.00019955
0.00467545 -0.01020502 -0.00060687
6.47656783 3.79298502 -7.22942281
-0.00044199 0.00014182 0.00052299
-0.01531306 -0.00528379 0.00182373
8.98118319 4.18325617 -8.21718448
0.00027577 -0.00066436 0.00037863
0.03232047 -0.01524328 -0.00987225
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
[qbox] set scf_tol 1.e-8
[qbox] set polarization MLWF_REF
[qbox] response 1.e-4 50 10
ResponseCmd: polarizability with amplitude 1.e-4
EnergyFunctional: 144 144 144
EnergyFunctional: vft->np012(): 2985984
0.00000000 0.00000000 0.00000000
0
BOSampleStepper: start scf iteration
512.00000000
-170.57111850
-170.57111877
-170.57111895
-170.57111879
-170.57111869
-170.57111854
-170.57111849
-170.57111843
-170.57111842
-170.57111841
-1100.41286489
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.57163845
-170.57163850
-1100.41286031
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.76948702
-170.57177038
-170.57177042
-1100.41286072
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77161802 0.32219459
-170.57156381
-170.57156382
-1100.41286107
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.90112810 0.12937159 -0.02367120
-170.57138472
-170.57138472
-1100.41286115
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.70748100 0.45463783 -0.06514129
-170.57143616
-170.57143616
-1100.41286117
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.23907613 -0.88188044 0.26039311
-170.57142534
-170.57142534
-1100.41286119
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.09224649 0.17354913 -0.10661031
-170.57139754
-170.57139754
-1100.41286119
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.89540179 0.21334930 -0.26211605
-170.57138556
-170.57138556
-1100.41286119
BOSampleStepper: end scf iteration
805.30671718
0.00000000
-1309.76997319
127.01927625
-451.32325003
-271.64562952
94.75172937
646.81841729
0.00000000
0.00000000
-1100.41285930
0.00000000
0.00086725
-1100.41199205
-5.7580098300 -5.1385733600 -0.9592840800
-2.9144582850 7.7391656083 -2.3922226424
-8.6724681150 2.6005922483 -3.3515067224
17.30627311 -2.87077766 4.46147169
0.00008185 -0.00020430 -0.00010987
0.01488115 -0.00094106 -0.00626931
-8.38494639 3.98370113 -1.41711767
-0.00022434 -0.00010218 0.00001429
-0.01122745 0.00370267 0.00172220
-28.33974435 8.42064572 11.90213928
0.00019414 0.00002589 0.00010229
-0.02702104 -0.01723715 -0.01015282
15.90695958 15.25527879 1.75373632
0.00023493 0.00026988 0.00005170
-0.02602786 0.02547481 -0.02450088
-12.87585047 24.58636650 -32.70456560
0.00008473 0.00034696 -0.00005862
-0.02383324 -0.00527414 -0.00543312
12.36916287 11.48959483 2.47370675
0.00001606 -0.00006959 -0.00017983
-0.04920187 -0.02191826 -0.01799684
9.59848266 -22.46448944 8.60050056
0.00031337 0.00039340 -0.00028264
0.01324728 -0.02713308 0.03462496
18.57118474 8.85554382 -17.33556662
0.00018960 -0.00020752 0.00011492
-0.00405385 0.01026935 0.01416434
12.61589873 4.38658318 -40.37650084
0.00000625 -0.00010058 -0.00020383
0.00298432 0.01509269 0.00572332
-8.60808520 6.85718964 2.84586958
-0.00008681 0.00005159 -0.00000838
-0.01004956 0.00186495 -0.03438597
-17.90410153 -26.37945497 23.05193102
0.00014785 0.00038365 0.00012010
-0.04745699 -0.01634712 0.03381880
-4.29000416 15.48271653 -10.80962736
-0.00001761 0.00001523 -0.00017573
-0.00177207 -0.03637057 -0.00851541
-4.71094304 -3.54888079 -9.39750790
0.00039641 0.00014227 0.00028004
-0.00216378 0.07705594 0.03802595
-18.67751503 24.18023941 -6.65437737
0.00014629 -0.00016815 0.00002904
0.03003545 0.00507631 0.00355678
-6.28807473 14.09617359 6.08243512
-0.00000701 0.00009510 -0.00037390
-0.02762674 -0.01524946 0.02349944
13.57328283 38.44582808 9.76901330
0.00003894 0.00008925 0.00017800
-0.01711660 -0.06954691 -0.03579123
15.83512581 0.89642860 13.92600264
0.00019050 0.00035897 -0.00024840
0.04704358 -0.04600063 -0.00925786
31.96605085 -5.46458307 3.12993202
0.00001322 -0.00015266 -0.00012612
-0.01160916 -0.02582114 -0.02189241
-7.54260936 28.43666898 -6.38725531
-0.00027579 -0.00007696 -0.00001136
0.00397856 -0.00980631 -0.01008222
-5.64418634 -0.27812659 -2.94362982
0.00002766 -0.00002062 0.00010381
-0.02441690 -0.00142326 -0.03049585
1.18725790 -1.28788012 24.68953578
0.00010261 -0.00040912 -0.00026893
0.02586580 0.00915621 -0.00103379
1.20412969 7.12433678 -5.95669387
0.00044756 -0.00013841 -0.00025371
0.00102258 0.01446831 0.00346209
-17.45758305 11.50481043 24.99193832
-0.00000202 0.00005392 -0.00002718
0.01579802 -0.00906869 -0.03115979
14.06748739 19.23855074 16.27112376
0.00003166 0.00005083 0.00013399
-0.00853691 -0.02641875 0.00915649
-3.29181460 -3.62071805 -0.27825385
-0.00008827 -0.00002269 -0.00002124
-0.03210742 0.02669080 0.04133888
16.30628761 3.93313248 9.91862402
-0.00002608 0.00016280 -0.00009919
-0.00119047 0.00232808 -0.01616233
5.74323770 13.08410998 -5.83484637
-0.00021247 0.00029286 -0.00009319
-0.00454134 -0.01474497 0.01349053
4.82423973 7.66156109 4.18492225
-0.00000850 0.00015312 -0.00025155
-0.01493803 -0.01338907 0.02650552
9.18519129 5.85918124 1.57500716
0.00025343 -0.00002086 0.00001418
0.00608900 0.00329485 0.02948129
-0.24818300 19.48234688 -6.70304256
0.00009672 -0.00000102 -0.00008209
-0.00549889 0.02884682 0.02014610
-1.39217467 1.04953205 12.36123830
0.00001457 -0.00012076 -0.00046406
-0.02019378 -0.01769582 0.01631562
-19.66533889 -7.67860648 22.86164952
-0.00005308 0.00009078 0.00020923
0.01695941 -0.00024551 0.01667953
3.47409981 12.53201189 13.02649108
-0.00002549 -0.00022721 0.00004391
0.03304061 0.00586597 0.02893285
-5.00196257 13.17276664 -1.87840590
-0.00052421 -0.00013685 0.00016057
0.04139828 0.04918901 0.01059679
8.64254625 6.84566180 7.68239605
-0.00022631 -0.00030258 -0.00005924
0.00126769 0.00981086 -0.03533342
10.97356651 0.94514400 23.40847501
-0.00033353 0.00016202 0.00010844
0.00097495 0.00183149 0.00675896
25.83978011 3.23619054 -1.04193329
0.00008534 0.00011526 -0.00012308
0.03161842 -0.03573995 -0.01759638
-11.95650067 -4.37915802 -11.48266260
0.00016091 -0.00010227 -0.00004760
-0.01400073 -0.01312589 -0.00370786
15.20141680 -11.28470733 -9.68684095
0.00022186 0.00009856 0.00016728
0.01447362 -0.00166879 0.01276789
-0.29300627 -37.99458829 12.83220032
-0.00024318 0.00008979 0.00017547
0.02524147 -0.00156048 -0.01354445
-24.08610422 11.18195138 4.06041562
-0.00009888 -0.00007046 -0.00001682
0.01040861 0.02054539 0.00518971
-26.05742447 3.60931884 5.47056627
-0.00023904 0.00009105 0.00028923
-0.04246969 0.01531864 0.00073525
6.22061876 -7.30920083 30.19046496
-0.00006268 0.00001957 0.00002846
-0.00675380 -0.04998592 0.03634868
-0.02059415 2.46017300 -4.97711301
0.00028462 0.00006629 0.00002676
-0.05749089 -0.01358950 -0.01812495
-13.66741016 -7.63430311 -5.33680973
-0.00009956 -0.00025681 0.00047142
0.02658574 0.00456720 0.01447982
2.77007266 -1.96638633 12.76698765
-0.00003883 -0.00017010 0.00001785
-0.00006668 -0.00044103 0.01685788
-17.09820303 18.98122667 10.72015708
-0.00003575 0.00003365 -0.00011947
0.00831422 -0.00399727 -0.00416072
-1.92816144 17.57786178 6.82015984
0.00001065 -0.00007481 0.00008925
0.00610046 0.00018046 -0.00223480
5.70583510 8.66507587 -4.24106209
0.00021363 0.00020339 -0.00006294
0.01019496 -0.01718933 -0.00539393
-11.29140224 -1.66964634 -18.49096634
-0.00024317 -0.00005111 0.00014360
-0.00526963 0.00645936 -0.03185548
0.11172730 -0.97625922 -17.71081950
0.00026683 -0.00005504 0.00017642
0.00103990 0.06024706 0.00646422
7.18929768 8.88365951 -11.44923960
-0.00000578 0.00017095 -0.00003251
0.01829504 -0.00737120 -0.02424966
1.19467726 29.40118541 -15.73802926
0.00010867 0.00020266 -0.00012363
-0.01409507 -0.00171396 0.05342579
-10.31747925 -4.53352272 -0.36915313
0.00019003 0.00011073 -0.00014670
0.00983574 0.01482536 -0.02620359
-3.94602757 -15.91200578 -27.46779391
0.00028338 0.00000168 -0.00024445
-0.03111588 0.00068021 -0.03883018
-14.10822730 -2.03278674 18.90430679
-0.00000720 -0.00007879 0.00014023
0.01142666 0.00067208 -0.00182531
-8.79849842 14.03410763 -5.23604423
-0.00006606 0.00003899 0.00003481
-0.02337019 0.02503411 -0.02432072
22.18114581 6.72469867 0.70886163
0.00001685 -0.00021791 -0.00013488
0.01877827 0.00215497 0.02036942
-22.76472597 -7.04229634 11.34662855
-0.00032887 -0.00010554 0.00006971
0.00750286 0.03050329 -0.00943932
1.88428560 -8.03232348 27.56419019
-0.00024378 0.00013273 -0.00037695
-0.00369650 -0.00509830 0.00841426
-0.65644322 -7.01227719 -2.78473113
0.00008362 -0.00030661 0.00011366
-0.01988841 -0.01363398 0.00827195
-10.76191469 7.45945145 13.42285714
-0.00015271 0.00011465 0.00008582
-0.04679736 0.03262019 0.00251183
9.77657512 11.82364386 6.98566809
-0.00022035 -0.00039907 0.00027120
0.00837658 -0.00239128 0.02651722
7.57998072 5.17803915 -7.72220306
-0.00026227 0.00012820 0.00006808
-0.01389888 0.01351893 0.00631422
17.98684243 -3.14640120 6.14086959
0.00027086 0.00070975 -0.00002436
-0.00153430 -0.00198263 -0.00568354
15.52203890 -2.55417541 4.64096828
0.00033061 -0.00081325 -0.00086781
-0.01445116 0.00431684 0.00759307
-8.21620657 4.86703448 -3.05708045
0.00021921 -0.00004224 -0.00040961
-0.00183031 -0.00563317 0.00449852
-7.31773113 2.50356955 -1.69300216
-0.00036700 -0.00063318 -0.00109617
0.00744155 -0.00516621 -0.00000676
-28.76135050 8.35903657 10.10428920
0.00033956 -0.00008475 0.00041528
0.00490037 0.00789850 -0.00547938
-29.66161754 9.45573164 12.67499473
0.00033124 0.00020073 0.00013150
0.00103447 0.00584817 0.00264039
16.39734696 15.05599512 3.55839086
-0.00068523 0.00060110 -0.00026019
0.00054909 0.00369662 0.00234006
15.17936811 16.97307469 1.31016041
-0.00032639 -0.00024067 0.00080017
0.00814134 -0.02792829 0.01056659
-11.08597259 24.32370528 -32.93623062
-0.00005975 0.00030426 0.00015963
0.01586739 0.00226979 -0.00177171
-13.61426667 24.57240245 -34.41859407
-0.00050758 -0.00076322 0.00017442
0.00804914 0.00150328 0.00663074
10.59735017 11.32454878 1.66650904
0.00092483 -0.00074898 -0.00004090
0.04411685 0.00876700 0.01662187
13.24822001 12.96901431 1.81013652
0.00054904 -0.00093376 -0.00000797
0.00495925 0.00836314 -0.00419419
10.09637384 -21.05721831 7.61973093
-0.00005849 -0.00093943 -0.00040718
0.00271460 0.02790451 -0.02001763
8.05125501 -23.18320230 8.09321978
0.00035758 0.00132142 0.00051100
-0.02422652 -0.00245092 -0.01031019
17.66147238 7.97859330 -18.65786860
0.00099108 0.00003913 0.00065352
-0.01060893 -0.00027133 -0.00773560
18.02495567 10.64543101 -17.43441432
-0.00010571 0.00011600 0.00007392
-0.00060047 -0.00912931 -0.00130832
11.50341675 5.63653348 -39.47331504
-0.00004291 0.00027611 0.00030349
0.00376472 -0.00925405 -0.01449536
13.09823438 5.27016974 -41.97918917
-0.00010861 -0.00070090 0.00025253
0.00427958 0.00039488 0.00611141
-9.60003728 8.45758876 2.37923329
0.00084854 0.00048255 -0.00067626
0.01676862 -0.02453969 0.00635444
-8.53568180 5.71208457 1.23450205
-0.00055222 -0.00019537 0.00006282
0.00083376 0.02740442 0.02603947
-17.54419760 -24.93094232 22.10498648
0.00060689 0.00005671 0.00032357
0.01457655 0.02264544 -0.02226248
-19.74577451 -25.83959725 23.81509951
-0.00023139 0.00000298 -0.00037892
0.03232240 -0.00724683 -0.00545445
-5.24270581 13.75566055 -10.90874900
0.00040093 0.00046651 -0.00049739
0.03365728 0.04245152 0.00789351
-2.36979326 15.44197192 -10.81161663
-0.00017422 -0.00015348 0.00083175
-0.02932452 -0.01056308 -0.00691606
-3.36690548 -3.55536328 -8.08225291
-0.00008386 0.00095997 -0.00021606
-0.00224560 -0.01390811 -0.01210636
-4.83835610 -5.11759619 -10.25946495
0.00017258 -0.00008506 0.00050341
0.00504996 -0.04251084 -0.01255390
-18.92578661 23.44147263 -8.29131227
0.00037783 0.00071415 0.00025352
0.00519854 -0.01692931 -0.01885018
-20.35130004 24.72420657 -6.41566543
-0.00005025 0.00094534 0.00061937
-0.03561033 0.01520953 0.01982358
-4.91731083 15.14888669 6.58146332
0.00029541 -0.00017589 0.00008884
0.02914487 0.01463972 0.00418492
-7.60404203 14.61177085 7.37372102
0.00037143 -0.00013909 0.00042533
0.00602212 -0.01049319 -0.01027584
11.93076510 37.49887023 9.16714595
0.00001060 -0.00120585 -0.00035602
0.03527123 0.02664736 0.01023059
13.18498804 40.06949257 10.35967457
0.00069911 -0.00057197 0.00024896
-0.02215814 0.04018986 0.00994276
17.15327291 -0.66307900 13.80299714
-0.00111663 0.00004956 -0.00046517
-0.03984780 0.03719974 0.00394965
16.05575552 1.74104258 12.23431091
-0.00016505 -0.00112033 0.00009878
-0.00582498 0.00452096 0.00514002
31.01138603 -4.78687812 1.71284272
-0.00029350 -0.00011008 0.00063062
-0.00600807 0.00713444 -0.00385229
33.23957241 -4.25193771 3.38345934
-0.00045456 0.00018608 0.00025447
0.02845061 0.02518652 0.01497029
-8.87053536 29.30383055 -7.30704309
-0.00042487 0.00015179 0.00005537
-0.00634946 0.00567350 -0.01098459
-7.14650321 26.91668761 -7.45280692
0.00043892 -0.00028120 0.00055497
-0.00812754 0.00915801 0.00648539
-4.96254171 -1.68179938 -1.89924685
0.00007197 0.00034977 0.00038151
0.00285075 -0.00316159 -0.00934887
-6.78602573 -1.04171326 -4.27907588
0.00014089 -0.00003832 0.00025123
0.02479142 0.01246870 0.02903754
-0.02858445 -2.48914131 24.11185493
0.00018226 -0.00118642 -0.00036457
-0.01998115 -0.00905162 -0.01136907
0.68992781 -0.99973823 26.55777609
-0.00040703 0.00126180 -0.00057238
0.00651306 -0.00533342 -0.00185404
1.23710650 5.27819490 -5.76522880
0.00002586 -0.00109815 0.00040007
-0.00739076 -0.00456304 -0.00180063
-0.33966606 7.54620890 -4.97950055
-0.00023939 0.00015523 0.00067045
0.00319173 -0.00224331 -0.00586513
-17.73975326 13.28074065 24.78997502
-0.00054678 -0.00072761 -0.00014552
-0.00272692 0.01394656 -0.00111334
-17.31500400 10.97557142 23.19656340
-0.00069889 -0.00034406 -0.00007462
-0.00508971 -0.00085261 0.01744965
15.63186778 19.96615211 15.70315953
-0.00014068 -0.00042586 -0.00117331
0.01650482 0.00266970 -0.01033380
14.46305096 17.39709811 16.28563506
0.00009651 0.00028704 0.00051033
-0.00053095 0.01534771 0.00866402
-2.98939615 -5.37808998 -0.45855262
-0.00009324 0.00072238 -0.00041207
0.00596313 -0.02102157 -0.01080823
-4.40565391 -3.42757525 1.26203728
-0.00028950 0.00010136 -0.00001196
0.01531823 -0.00442605 -0.01046517
15.01872572 4.43883703 8.54534483
0.00008225 0.00055742 0.00031835
0.01110710 -0.01008164 0.01794528
16.88837211 5.43337073 10.81908950
0.00056361 0.00056228 -0.00013753
-0.00661992 -0.00412362 -0.00138226
6.00056738 11.08944163 -5.49213399
-0.00020223 -0.00067763 0.00078464
-0.01221200 0.02985084 0.00597822
4.70151030 13.68622747 -4.38895569
0.00010335 -0.00060911 0.00124152
0.01187236 -0.00795309 -0.01477377
5.83109032 6.60924605 3.10663661
-0.00031160 0.00044094 0.00022149
0.00741308 -0.01171375 -0.00776972
5.09192470 9.31356068 3.49094919
-0.00041934 0.00007593 0.00040376
-0.00102494 0.01794267 -0.00825689
10.06449589 4.26102589 1.59849573
0.00038408 -0.00023687 -0.00054876
-0.00193230 -0.00781126 -0.00095787
8.75340892 6.04183238 -0.13409188
0.00026243 -0.00070027 -0.00118026
-0.00811888 0.00272305 -0.02970332
0.86813481 19.84048800 -8.12753838
-0.00065178 0.00055368 -0.00034292
0.00550260 0.00002912 -0.00701287
0.11475229 20.94475584 -5.52720987
-0.00040791 -0.00010854 0.00042236
-0.00727490 -0.02492723 -0.01819551
-2.50302387 -0.20699752 13.25539212
-0.00101587 -0.00042631 -0.00011956
0.02046287 0.01391201 -0.01457961
-2.65760786 1.99747892 11.44256693
0.00043805 -0.00059832 0.00103265
0.00329092 0.00530360 -0.00619937
-18.96836705 -5.95347530 22.74033680
0.00010330 0.00117178 -0.00068679
0.00140877 -0.00065459 -0.00985603
-20.00308066 -7.81053930 24.73575640
-0.00041777 0.00093202 0.00003848
-0.01509630 0.00079912 -0.01150936
4.12116211 12.78676489 14.87045576
0.00046160 0.00069793 0.00087334
-0.01077825 -0.00218188 -0.03264787
2.36926288 11.06710587 13.07768947
-0.00044804 0.00040080 0.00015031
-0.01511006 -0.00192349 -0.00370391
-3.38951366 14.38062061 -1.71026172
-0.00029292 0.00035035 0.00101520
-0.04037315 -0.04063277 -0.02167010
-6.00117770 13.98903449 -0.47272192
-0.00057466 -0.00013838 0.00023651
0.00100866 -0.01269134 -0.00227121
7.59670858 7.40958651 6.20517793
-0.00047001 0.00009267 0.00057938
0.00208328 -0.00950105 0.01321302
7.69907084 7.29261229 9.14665409
0.00021371 -0.00015687 -0.00050461
-0.01419137 0.00846577 0.02582649
12.57722815 1.80411842 23.11107321
-0.00015463 -0.00121283 0.00051753
0.00044834 0.00687297 -0.00365621
10.76191866 0.03301121 21.84075463
0.00024164 0.00068162 0.00014672
-0.00766884 -0.00988488 -0.00481460
25.61405799 1.65611488 -0.09182255
-0.00042972 0.00082537 0.00008496
-0.00054665 -0.00041801 0.00073132
24.93983685 4.42731932 -0.11406168
-0.00061430 0.00026884 -0.00126244
-0.02466086 0.03817291 0.02472368
-11.95581813 -2.58950757 -11.77952433
-0.00007443 0.00002666 0.00060095
-0.00066092 0.00678792 -0.00354453
-11.16913703 -4.55967539 -9.80842510
-0.00052622 -0.00038142 -0.00078485
0.00099973 0.00762277 0.00009279
15.17564651 -10.31650003 -7.98861839
-0.00029354 -0.00039246 -0.00021035
-0.00585246 -0.01669816 -0.01544297
14.48606548 -10.19293940 -10.99370170
0.00002139 -0.00037367 -0.00003752
-0.00289988 0.00588344 -0.00527660
0.14152692 -38.67424403 14.49213366
0.00080233 0.00005452 -0.00042557
-0.01128547 -0.00755876 -0.00104188
-2.07750824 -38.24272446 12.29568654
0.00004214 -0.00028738 0.00060758
0.00815700 0.00153452 0.01731183
-23.67972622 10.16644335 2.65299833
-0.00016121 0.00055873 -0.00019421
0.00876172 -0.01302775 -0.02754176
-25.19041991 10.06276044 4.94664039
-0.00023870 -0.00111492 0.00044154
-0.01824323 -0.00681801 0.01739974
-27.97372144 3.89133452 5.58657111
-0.00045101 0.00077728 0.00016832
0.04665927 -0.00831839 0.00276753
-25.26092009 4.81161441 6.69442053
0.00047471 0.00033831 0.00010302
-0.00012256 -0.00623261 -0.01210306
7.00240424 -6.56679031 28.71314392
-0.00024290 0.00050431 0.00028340
0.01525746 0.01562386 -0.01678533
6.97166463 -9.05661012 30.25251091
0.00086567 0.00008016 -0.00025902
-0.00633734 0.02048354 0.00228307
-1.96438957 2.44750163 -5.24423092
0.00006159 -0.00025595 -0.00022144
0.05248418 -0.00036342 0.00806607
0.28696092 2.56198438 -3.11581028
-0.00110021 -0.00006187 0.00008903
0.00712798 0.00331451 -0.00440855
-14.18165634 -6.00724327 -5.95554952
-0.00038391 -0.00037812 -0.00102272
-0.00790509 0.00333262 0.00247951
-15.06994331 -8.81184128 -5.49935588
0.00001764 -0.00000674 0.00012939
-0.01369665 -0.00297513 -0.00446542
1.64706021 -0.60880382 12.20264486
-0.00045166 -0.00106207 -0.00131311
0.00666795 -0.00246156 -0.01214914
4.24080650 -2.50703760 11.69360350
0.00075510 -0.00030047 -0.00040567
-0.01169752 0.00248477 -0.00347528
-15.82434244 18.73316470 12.01277034
0.00018375 -0.00009850 0.00090611
0.00490089 -0.00107950 -0.00605418
-16.85646702 17.62043123 9.38606224
-0.00102112 0.00037310 -0.00003264
-0.00517141 0.01588314 0.00607283
-0.88460262 17.43826812 8.35818278
-0.00024142 -0.00042082 0.00028427
-0.00533810 -0.01040464 -0.00566074
-0.80159401 16.96580728 5.43703848
0.00044120 0.00029451 -0.00107834
-0.00116508 0.00380244 0.01230097
3.92836385 7.98833239 -4.51601509
-0.00026264 -0.00048973 0.00011478
0.01344963 0.00256324 -0.00674216
6.94248821 7.38860035 -4.91902495
0.00027170 0.00061761 0.00015132
-0.02288454 0.01152225 0.00270319
-11.24041680 -0.70863418 -20.15068370
0.00005224 0.00067040 0.00016832
-0.00885980 -0.01328765 0.02812634
-12.16958530 -0.59387499 -17.23514600
0.00057747 -0.00088439 0.00005616
0.00777516 -0.00452068 -0.00552510
-0.96183223 0.59898430 -17.39536573
0.00058870 0.00124036 0.00033294
0.01435022 -0.02074385 -0.00707142
-0.90885943 -2.36071764 -17.28195101
-0.00043040 0.00013127 0.00025653
-0.02197665 -0.03436697 0.00984864
7.21202043 7.95393783 -9.90414943
-0.00055869 -0.00028520 -0.00017858
-0.01522959 -0.00775470 0.01647736
6.13410070 10.36105302 -11.36541549
0.00006526 0.00066110 0.00098185
-0.01333320 0.01179567 0.01026227
2.35178314 30.46057415 -16.64725370
-0.00071087 -0.00034266 -0.00037835
0.00903397 0.00661259 -0.00976086
1.11841986 30.09382482 -13.92857434
-0.00027212 -0.00013702 0.00065681
0.00258641 -0.00973917 -0.03779029
-12.01036848 -5.05701097 -0.80480811
0.00010623 0.00074962 0.00055724
-0.00637185 -0.00449396 0.00338565
-9.75167029 -3.86154345 -2.00868245
0.00043721 -0.00045690 -0.00102519
0.00005095 -0.00368491 0.01315228
-5.13726422 -16.59698470 -28.94218792
-0.00028826 -0.00034233 -0.00016768
0.02727388 0.00539390 0.04001246
-4.31446303 -14.09735706 -27.62837175
-0.00009501 0.00005300 0.00046215
0.00515709 -0.00593776 0.01258105
-12.78096814 -2.03883375 17.64585110
-0.00030170 -0.00009800 -0.00027081
0.00527583 -0.00179441 -0.00260322
-15.07860410 -0.58783272 18.35956537
0.00016142 -0.00025291 0.00025971
-0.01116039 0.00230294 -0.00442176
-10.27843782 15.04793403 -4.72021942
-0.00095699 -0.00004302 0.00067376
0.00033780 -0.01376600 -0.00041200
-7.61332861 13.80083212 -3.90416324
-0.00048542 0.00000412 -0.00032828
0.02689627 0.00054391 0.02302582
20.77245868 6.55441065 -0.37537622
0.00037156 -0.00061505 -0.00001228
-0.02199196 0.00321777 -0.02189807
21.73262633 5.70813703 2.18675509
0.00070673 -0.00084141 0.00015620
0.00065211 0.00106977 0.00214555
-21.36810357 -8.19310202 11.73753517
-0.00011463 0.00031361 -0.00028528
-0.00082207 -0.01304113 0.00335822
-21.90983448 -5.36937267 11.25962317
-0.00074186 0.00015706 -0.00010804
-0.00940251 -0.01332752 0.00725726
3.12575464 -7.89325788 29.00771003
-0.00103136 -0.00006013 0.00001364
-0.01247797 -0.00843064 -0.01446439
0.72138013 -9.57674415 27.65228398
-0.00011702 0.00058049 -0.00011721
0.02295696 0.00745347 0.00642339
0.93035485 -7.53546445 -2.05879851
0.00077569 0.00037167 -0.00020485
0.01585271 -0.00159516 0.00746433
-0.33223938 -6.54328317 -4.51394845
0.00059833 -0.00014246 -0.00029047
-0.00091235 0.00506917 -0.00825694
-10.31442185 9.33930959 13.22099612
0.00116436 -0.00017746 0.00071036
-0.00487319 -0.03301740 0.01074693
-12.74217981 7.55828818 13.51883457
-0.00030458 -0.00042753 -0.00053713
0.06081998 -0.00094446 -0.00660424
9.93094353 10.04228004 7.69287506
0.00041229 0.00027438 0.00046666
-0.00342706 0.02431764 -0.01967968
10.75908294 11.98958489 5.43030071
0.00086327 -0.00009552 0.00019955
0.00462011 -0.01020316 -0.00063081
6.47656783 3.79298502 -7.22942281
-0.00044199 0.00014182 0.00052299
-0.01535609 -0.00525365 0.00181312
8.98118319 4.18325617 -8.21718448
0.00027577 -0.00066436 0.00037863
0.03227614 -0.01526114 -0.00988331
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.57111700
-170.57111727
-170.57111745
-170.57111729
-170.57111719
-170.57111704
-170.57111699
-170.57111693
-170.57111692
-170.57111691
-1100.41286189
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.57059176
-170.57059181
-1100.41285731
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.76952534
-170.57046784
-170.57046788
-1100.41285772
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77249291 0.32254234
-170.57067919
-170.57067920
-1100.41285807
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.90913439 0.13424203 -0.02566331
-170.57086275
-170.57086276
-1100.41285815
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.72295558 0.46288849 -0.06624470
-170.57081149
-170.57081149
-1100.41285817
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.23792879 -0.89348579 0.26351537
-170.57082490
-170.57082490
-1100.41285819
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.09109074 0.17262480 -0.10794063
-170.57085343
-170.57085343
-1100.41285819
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.90749686 0.22038882 -0.26587354
-170.57086629
-170.57086629
-1100.41285819
BOSampleStepper: end scf iteration
805.30781757
0.00000000
-1309.77039137
127.01790406
-451.32257305
-271.64561651
94.75172937
646.81841729
0.00000000
0.00000000
-1100.41285930
0.00000000
-0.00088430
-1100.41374360
-5.7580098300 -5.1385733600 -0.9592840800
-3.0849879169 7.7389716450 -2.3924219257
-8.8429977469 2.6003982849 -3.3517060057
17.30627311 -2.87077766 4.46147169
0.00008185 -0.00020430 -0.00010987
0.01631787 -0.00095767 -0.00628805
-8.38494639 3.98370113 -1.41711767
-0.00022434 -0.00010218 0.00001429
-0.00985571 0.00372110 0.00167315
-28.33974435 8.42064572 11.90213928
0.00019414 0.00002589 0.00010229
-0.02558611 -0.01722725 -0.01016580
15.90695958 15.25527879 1.75373632
0.00023493 0.00026988 0.00005170
-0.02461588 0.02546023 -0.02448595
-12.87585047 24.58636650 -32.70456560
0.00008473 0.00034696 -0.00005862
-0.02243842 -0.00530906 -0.00543297
12.36916287 11.48959483 2.47370675
0.00001606 -0.00006959 -0.00017983
-0.04782101 -0.02187405 -0.01806192
9.59848266 -22.46448944 8.60050056
0.00031337 0.00039340 -0.00028264
0.01456606 -0.02711654 0.03455188
18.57118474 8.85554382 -17.33556662
0.00018960 -0.00020752 0.00011492
-0.00265484 0.01029545 0.01416189
12.61589873 4.38658318 -40.37650084
0.00000625 -0.00010058 -0.00020383
0.00442250 0.01511033 0.00568234
-8.60808520 6.85718964 2.84586958
-0.00008681 0.00005159 -0.00000838
-0.00862855 0.00186820 -0.03441159
-17.90410153 -26.37945497 23.05193102
0.00014785 0.00038365 0.00012010
-0.04597686 -0.01638722 0.03377534
-4.29000416 15.48271653 -10.80962736
-0.00001761 0.00001523 -0.00017573
-0.00032672 -0.03632254 -0.00850889
-4.71094304 -3.54888079 -9.39750790
0.00039641 0.00014227 0.00028004
-0.00069359 0.07704842 0.03801931
-18.67751503 24.18023941 -6.65437737
0.00014629 -0.00016815 0.00002904
0.03141870 0.00510672 0.00355450
-6.28807473 14.09617359 6.08243512
-0.00000701 0.00009510 -0.00037390
-0.02622997 -0.01526363 0.02348803
13.57328283 38.44582808 9.76901330
0.00003894 0.00008925 0.00017800
-0.01574868 -0.06955293 -0.03579060
15.83512581 0.89642860 13.92600264
0.00019050 0.00035897 -0.00024840
0.04845385 -0.04602286 -0.00923697
31.96605085 -5.46458307 3.12993202
0.00001322 -0.00015266 -0.00012612
-0.01021752 -0.02578821 -0.02189964
-7.54260936 28.43666898 -6.38725531
-0.00027579 -0.00007696 -0.00001136
0.00536877 -0.00977975 -0.01005508
-5.64418634 -0.27812659 -2.94362982
0.00002766 -0.00002062 0.00010381
-0.02303408 -0.00149425 -0.03048401
1.18725790 -1.28788012 24.68953578
0.00010261 -0.00040912 -0.00026893
0.02731369 0.00912976 -0.00112014
1.20412969 7.12433678 -5.95669387
0.00044756 -0.00013841 -0.00025371
0.00246423 0.01448438 0.00349077
-17.45758305 11.50481043 24.99193832
-0.00000202 0.00005392 -0.00002718
0.01714644 -0.00909593 -0.03115396
14.06748739 19.23855074 16.27112376
0.00003166 0.00005083 0.00013399
-0.00713444 -0.02638492 0.00918080
-3.29181460 -3.62071805 -0.27825385
-0.00008827 -0.00002269 -0.00002124
-0.03069593 0.02664736 0.04136385
16.30628761 3.93313248 9.91862402
-0.00002608 0.00016280 -0.00009919
0.00025725 0.00233220 -0.01610973
5.74323770 13.08410998 -5.83484637
-0.00021247 0.00029286 -0.00009319
-0.00316074 -0.01469943 0.01353965
4.82423973 7.66156109 4.18492225
-0.00000850 0.00015312 -0.00025155
-0.01351529 -0.01340336 0.02652408
9.18519129 5.85918124 1.57500716
0.00025343 -0.00002086 0.00001418
0.00745579 0.00328662 0.02947133
-0.24818300 19.48234688 -6.70304256
0.00009672 -0.00000102 -0.00008209
-0.00411762 0.02884475 0.02014808
-1.39217467 1.04953205 12.36123830
0.00001457 -0.00012076 -0.00046406
-0.01885387 -0.01771525 0.01631649
-19.66533889 -7.67860648 22.86164952
-0.00005308 0.00009078 0.00020923
0.01833720 -0.00024422 0.01668186
3.47409981 12.53201189 13.02649108
-0.00002549 -0.00022721 0.00004391
0.03444794 0.00583285 0.02897546
-5.00196257 13.17276664 -1.87840590
-0.00052421 -0.00013685 0.00016057
0.04285306 0.04916878 0.01056451
8.64254625 6.84566180 7.68239605
-0.00022631 -0.00030258 -0.00005924
0.00269480 0.00979856 -0.03531260
10.97356651 0.94514400 23.40847501
-0.00033353 0.00016202 0.00010844
0.00233381 0.00184357 0.00677493
25.83978011 3.23619054 -1.04193329
0.00008534 0.00011526 -0.00012308
0.03296585 -0.03573855 -0.01756538
-11.95650067 -4.37915802 -11.48266260
0.00016091 -0.00010227 -0.00004760
-0.01258677 -0.01315990 -0.00367674
15.20141680 -11.28470733 -9.68684095
0.00022186 0.00009856 0.00016728
0.01589644 -0.00165597 0.01275227
-0.29300627 -37.99458829 12.83220032
-0.00024318 0.00008979 0.00017547
0.02674542 -0.00155222 -0.01345802
-24.08610422 11.18195138 4.06041562
-0.00009888 -0.00007046 -0.00001682
0.01182964 0.02060728 0.00517243
-26.05742447 3.60931884 5.47056627
-0.00023904 0.00009105 0.00028923
-0.04111451 0.01534159 0.00078036
6.22061876 -7.30920083 30.19046496
-0.00006268 0.00001957 0.00002846
-0.00537679 -0.04997337 0.03633249
-0.02059415 2.46017300 -4.97711301
0.00028462 0.00006629 0.00002676
-0.05614431 -0.01355027 -0.01806851
-13.66741016 -7.63430311 -5.33680973
-0.00009956 -0.00025681 0.00047142
0.02802514 0.00463976 0.01447652
2.77007266 -1.96638633 12.76698765
-0.00003883 -0.00017010 0.00001785
0.00139864 -0.00046641 0.01683026
-17.09820303 18.98122667 10.72015708
-0.00003575 0.00003365 -0.00011947
0.00971706 -0.00400599 -0.00417384
-1.92816144 17.57786178 6.82015984
0.00001065 -0.00007481 0.00008925
0.00749452 0.00019781 -0.00226112
5.70583510 8.66507587 -4.24106209
0.00021363 0.00020339 -0.00006294
0.01159144 -0.01715292 -0.00538771
-11.29140224 -1.66964634 -18.49096634
-0.00024317 -0.00005111 0.00014360
-0.00388711 0.00644351 -0.03188113
0.11172730 -0.97625922 -17.71081950
0.00026683 -0.00005504 0.00017642
0.00235140 0.06022813 0.00643225
7.18929768 8.88365951 -11.44923960
-0.00000578 0.00017095 -0.00003251
0.01970760 -0.00744832 -0.02424197
1.19467726 29.40118541 -15.73802926
0.00010867 0.00020266 -0.00012363
-0.01271741 -0.00170064 0.05339400
-10.31747925 -4.53352272 -0.36915313
0.00019003 0.00011073 -0.00014670
0.01118491 0.01479909 -0.02619454
-3.94602757 -15.91200578 -27.46779391
0.00028338 0.00000168 -0.00024445
-0.02970380 0.00071292 -0.03879382
-14.10822730 -2.03278674 18.90430679
-0.00000720 -0.00007879 0.00014023
0.01279075 0.00064170 -0.00180521
-8.79849842 14.03410763 -5.23604423
-0.00006606 0.00003899 0.00003481
-0.02196583 0.02499036 -0.02429549
22.18114581 6.72469867 0.70886163
0.00001685 -0.00021791 -0.00013488
0.02012287 0.00211665 0.02036428
-22.76472597 -7.04229634 11.34662855
-0.00032887 -0.00010554 0.00006971
0.00891557 0.03048906 -0.00942218
1.88428560 -8.03232348 27.56419019
-0.00024378 0.00013273 -0.00037695
-0.00220083 -0.00507913 0.00839434
-0.65644322 -7.01227719 -2.78473113
0.00008362 -0.00030661 0.00011366
-0.01845311 -0.01361222 0.00826859
-10.76191469 7.45945145 13.42285714
-0.00015271 0.00011465 0.00008582
-0.04541713 0.03266605 0.00254270
9.77657512 11.82364386 6.98566809
-0.00022035 -0.00039907 0.00027120
0.00976606 -0.00234033 0.02652776
7.57998072 5.17803915 -7.72220306
-0.00026227 0.00012820 0.00006808
-0.01251710 0.01352903 0.00627217
17.98684243 -3.14640120 6.14086959
0.00027086 0.00070975 -0.00002436
-0.00141646 -0.00197428 -0.00569363
15.52203890 -2.55417541 4.64096828
0.00033061 -0.00081325 -0.00086781
-0.01442458 0.00435179 0.00759603
-8.21620657 4.86703448 -3.05708045
0.00021921 -0.00004224 -0.00040961
-0.00169156 -0.00564804 0.00452418
-7.31773113 2.50356955 -1.69300216
-0.00036700 -0.00063318 -0.00109617
0.00754866 -0.00511800 0.00000537
-28.76135050 8.35903657 10.10428920
0.00033956 -0.00008475 0.00041528
0.00505411 0.00788397 -0.00546353
-29.66161754 9.45573164 12.67499473
0.00033124 0.00020073 0.00013150
0.00114439 0.00588705 0.00267942
16.39734696 15.05599512 3.55839086
-0.00068523 0.00060110 -0.00026019
0.00068002 0.00370117 0.00226632
15.17936811 16.97307469 1.31016041
-0.00032639 -0.00024067 0.00080017
0.00823133 -0.02788102 0.01052268
-11.08597259 24.32370528 -32.93623062
-0.00005975 0.00030426 0.00015963
0.01588384 0.00227012 -0.00178045
-13.61426667 24.57240245 -34.41859407
-0.00050758 -0.00076322 0.00017442
0.00818630 0.00150307 0.00662103
10.59735017 11.32454878 1.66650904
0.00092483 -0.00074898 -0.00004090
0.04421103 0.00876499 0.01662695
13.24822001 12.96901431 1.81013652
0.00054904 -0.00093376 -0.00000797
0.00502951 0.00827224 -0.00417354
10.09637384 -21.05721831 7.61973093
-0.00005849 -0.00093943 -0.00040718
0.00280946 0.02785898 -0.01997083
8.05125501 -23.18320230 8.09321978
0.00035758 0.00132142 0.00051100
-0.02409594 -0.00245322 -0.01029096
17.66147238 7.97859330 -18.65786860
0.00099108 0.00003913 0.00065352
-0.01052586 -0.00030224 -0.00778117
18.02495567 10.64543101 -17.43441432
-0.00010571 0.00011600 0.00007392
-0.00046649 -0.00910392 -0.00129750
11.50341675 5.63653348 -39.47331504
-0.00004291 0.00027611 0.00030349
0.00378048 -0.00918250 -0.01446059
13.09823438 5.27016974 -41.97918917
-0.00010861 -0.00070090 0.00025253
0.00438587 0.00035217 0.00617803
-9.60003728 8.45758876 2.37923329
0.00084854 0.00048255 -0.00067626
0.01687729 -0.02447399 0.00635352
-8.53568180 5.71208457 1.23450205
-0.00055222 -0.00019537 0.00006282
0.00097534 0.02741362 0.02606744
-17.54419760 -24.93094232 22.10498648
0.00060689 0.00005671 0.00032357
0.01469425 0.02264770 -0.02225045
-19.74577451 -25.83959725 23.81509951
-0.00023139 0.00000298 -0.00037892
0.03224764 -0.00717429 -0.00535987
-5.24270581 13.75566055 -10.90874900
0.00040093 0.00046651 -0.00049739
0.03372100 0.04238250 0.00791485
-2.36979326 15.44197192 -10.81161663
-0.00017422 -0.00015348 0.00083175
-0.02931228 -0.01059058 -0.00688252
-3.36690548 -3.55536328 -8.08225291
-0.00008386 0.00095997 -0.00021606
-0.00221790 -0.01392177 -0.01217306
-4.83835610 -5.11759619 -10.25946495
0.00017258 -0.00008506 0.00050341
0.00520440 -0.04250630 -0.01253847
-18.92578661 23.44147263 -8.29131227
0.00037783 0.00071415 0.00025352
0.00531972 -0.01696082 -0.01888662
-20.35130004 24.72420657 -6.41566543
-0.00005025 0.00094534 0.00061937
-0.03552437 0.01523089 0.01986733
-4.91731083 15.14888669 6.58146332
0.00029541 -0.00017589 0.00008884
0.02921721 0.01459652 0.00417240
-7.60404203 14.61177085 7.37372102
0.00037143 -0.00013909 0.00042533
0.00607829 -0.01047830 -0.01019197
11.93076510 37.49887023 9.16714595
0.00001060 -0.00120585 -0.00035602
0.03536170 0.02658556 0.01017779
13.18498804 40.06949257 10.35967457
0.00069911 -0.00057197 0.00024896
-0.02201674 0.04023113 0.00995949
17.15327291 -0.66307900 13.80299714
-0.00111663 0.00004956 -0.00046517
-0.03975048 0.03727519 0.00394298
16.05575552 1.74104258 12.23431091
-0.00016505 -0.00112033 0.00009878
-0.00567692 0.00451528 0.00513709
31.01138603 -4.78687812 1.71284272
-0.00029350 -0.00011008 0.00063062
-0.00592239 0.00716963 -0.00391211
33.23957241 -4.25193771 3.38345934
-0.00045456 0.00018608 0.00025447
0.02853675 0.02514892 0.01495119
-8.87053536 29.30383055 -7.30704309
-0.00042487 0.00015179 0.00005537
-0.00625097 0.00571355 -0.01102427
-7.14650321 26.91668761 -7.45280692
0.00043892 -0.00028120 0.00055497
-0.00797435 0.00915811 0.00648491
-4.96254171 -1.68179938 -1.89924685
0.00007197 0.00034977 0.00038151
0.00294202 -0.00308444 -0.00940679
-6.78602573 -1.04171326 -4.27907588
0.00014089 -0.00003832 0.00025123
0.02493470 0.01247186 0.02904715
-0.02858445 -2.48914131 24.11185493
0.00018226 -0.00118642 -0.00036457
-0.01992177 -0.00908994 -0.01140834
0.68992781 -0.99973823 26.55777609
-0.00040703 0.00126180 -0.00057238
0.00665169 -0.00532527 -0.00175650
1.23710650 5.27819490 -5.76522880
0.00002586 -0.00109815 0.00040007
-0.00725645 -0.00460195 -0.00179067
-0.33966606 7.54620890 -4.97950055
-0.00023939 0.00015523 0.00067045
0.00323638 -0.00221975 -0.00582693
-17.73975326 13.28074065 24.78997502
-0.00054678 -0.00072761 -0.00014552
-0.00261702 0.01399298 -0.00113069
-17.31500400 10.97557142 23.19656340
-0.00069889 -0.00034406 -0.00007462
-0.00495684 -0.00085240 0.01743751
15.63186778 19.96615211 15.70315953
-0.00014068 -0.00042586 -0.00117331
0.01655871 0.00264595 -0.01029625
14.46305096 17.39709811 16.28563506
0.00009651 0.00028704 0.00051033
-0.00038941 0.01534860 0.00866221
-2.98939615 -5.37808998 -0.45855262
-0.00009324 0.00072238 -0.00041207
0.00606891 -0.02099617 -0.01077788
-4.40565391 -3.42757525 1.26203728
-0.00028950 0.00010136 -0.00001196
0.01542652 -0.00442428 -0.01042830
15.01872572 4.43883703 8.54534483
0.00008225 0.00055742 0.00031835
0.01112321 -0.01007321 0.01782318
16.88837211 5.43337073 10.81908950
0.00056361 0.00056228 -0.00013753
-0.00649646 -0.00416413 -0.00138609
6.00056738 11.08944163 -5.49213399
-0.00020223 -0.00067763 0.00078464
-0.01205545 0.02983966 0.00597956
4.70151030 13.68622747 -4.38895569
0.00010335 -0.00060911 0.00124152
0.01200978 -0.00794106 -0.01476964
5.83109032 6.60924605 3.10663661
-0.00031160 0.00044094 0.00022149
0.00749806 -0.01168691 -0.00776284
5.09192470 9.31356068 3.49094919
-0.00041934 0.00007593 0.00040376
-0.00089236 0.01793129 -0.00825709
10.06449589 4.26102589 1.59849573
0.00038408 -0.00023687 -0.00054876
-0.00180600 -0.00779609 -0.00096018
8.75340892 6.04183238 -0.13409188
0.00026243 -0.00070027 -0.00118026
-0.00799924 0.00272741 -0.02970477
0.86813481 19.84048800 -8.12753838
-0.00065178 0.00055368 -0.00034292
0.00560469 0.00000991 -0.00696058
0.11475229 20.94475584 -5.52720987
-0.00040791 -0.00010854 0.00042236
-0.00713934 -0.02492767 -0.01819344
-2.50302387 -0.20699752 13.25539212
-0.00101587 -0.00042631 -0.00011956
0.02059102 0.01389679 -0.01457842
-2.65760786 1.99747892 11.44256693
0.00043805 -0.00059832 0.00103265
0.00343938 0.00530378 -0.00619651
-18.96836705 -5.95347530 22.74033680
0.00010330 0.00117178 -0.00068679
0.00152867 -0.00069678 -0.00985149
-20.00308066 -7.81053930 24.73575640
-0.00041777 0.00093202 0.00003848
-0.01498302 0.00079701 -0.01143770
4.12116211 12.78676489 14.87045576
0.00046160 0.00069793 0.00087334
-0.01067196 -0.00218948 -0.03272764
2.36926288 11.06710587 13.07768947
-0.00044804 0.00040080 0.00015031
-0.01505818 -0.00199510 -0.00371286
-3.38951366 14.38062061 -1.71026172
-0.00029292 0.00035035 0.00101520
-0.04031152 -0.04068555 -0.02163053
-6.00117770 13.98903449 -0.47272192
-0.00057466 -0.00013838 0.00023651
0.00110221 -0.01264140 -0.00218338
7.59670858 7.40958651 6.20517793
-0.00047001 0.00009267 0.00057938
0.00214465 -0.00948991 0.01312083
7.69907084 7.29261229 9.14665409
0.00021371 -0.00015687 -0.00050461
-0.01404912 0.00846875 0.02586805
12.57722815 1.80411842 23.11107321
-0.00015463 -0.00121283 0.00051753
0.00053346 0.00682352 -0.00363214
10.76191866 0.03301121 21.84075463
0.00024164 0.00068162 0.00014672
-0.00754099 -0.00990530 -0.00484403
25.61405799 1.65611488 -0.09182255
-0.00042972 0.00082537 0.00008496
-0.00041189 -0.00043560 0.00073497
24.93983685 4.42731932 -0.11406168
-0.00061430 0.00026884 -0.00126244
-0.02456117 0.03820948 0.02472929
-11.95581813 -2.58950757 -11.77952433
-0.00007443 0.00002666 0.00060095
-0.00053034 0.00679401 -0.00354929
-11.16913703 -4.55967539 -9.80842510
-0.00052622 -0.00038142 -0.00078485
0.00109348 0.00762462 0.00001792
15.17564651 -10.31650003 -7.98861839
-0.00029354 -0.00039246 -0.00021035
-0.00570286 -0.01669234 -0.01540682
14.48606548 -10.19293940 -10.99370170
0.00002139 -0.00037367 -0.00003752
-0.00277991 0.00590373 -0.00532538
0.14152692 -38.67424403 14.49213366
0.00080233 0.00005452 -0.00042557
-0.01114918 -0.00754187 -0.00108476
-2.07750824 -38.24272446 12.29568654
0.00004214 -0.00028738 0.00060758
0.00807395 0.00153359 0.01724689
-23.67972622 10.16644335 2.65299833
-0.00016121 0.00055873 -0.00019421
0.00888607 -0.01302726 -0.02755524
-25.19041991 10.06276044 4.94664039
-0.00023870 -0.00111492 0.00044154
-0.01818939 -0.00684380 0.01744148
-27.97372144 3.89133452 5.58657111
-0.00045101 0.00077728 0.00016832
0.04680166 -0.00832482 0.00277374
-25.26092009 4.81161441 6.69442053
0.00047471 0.00033831 0.00010302
-0.00006806 -0.00629509 -0.01215615
7.00240424 -6.56679031 28.71314392
-0.00024290 0.00050431 0.00028340
0.01535165 0.01556692 -0.01670776
6.97166463 -9.05661012 30.25251091
0.00086567 0.00008016 -0.00025902
-0.00623982 0.02053880 0.00226900
-1.96438957 2.44750163 -5.24423092
0.00006159 -0.00025595 -0.00022144
0.05263306 -0.00037674 0.00806146
0.28696092 2.56198438 -3.11581028
-0.00110021 -0.00006187 0.00008903
0.00723798 0.00329965 -0.00450763
-14.18165634 -6.00724327 -5.95554952
-0.00038391 -0.00037812 -0.00102272
-0.00775476 0.00332324 0.00249493
-15.06994331 -8.81184128 -5.49935588
0.00001764 -0.00000674 0.00012939
-0.01368821 -0.00309507 -0.00446561
1.64706021 -0.60880382 12.20264486
-0.00045166 -0.00106207 -0.00131311
0.00672079 -0.00240438 -0.01216921
4.24080650 -2.50703760 11.69360350
0.00075510 -0.00030047 -0.00040567
-0.01169029 0.00257444 -0.00340564
-15.82434244 18.73316470 12.01277034
0.00018375 -0.00009850 0.00090611
0.00497312 -0.00110042 -0.00606759
-16.85646702 17.62043123 9.38606224
-0.00102112 0.00037310 -0.00003264
-0.00501998 0.01586483 0.00607717
-0.88460262 17.43826812 8.35818278
-0.00024142 -0.00042082 0.00028427
-0.00520656 -0.01039524 -0.00570418
-0.80159401 16.96580728 5.43703848
0.00044120 0.00029451 -0.00107834
-0.00109935 0.00384997 0.01236844
3.92836385 7.98833239 -4.51601509
-0.00026264 -0.00048973 0.00011478
0.01340814 0.00249892 -0.00678932
6.94248821 7.38860035 -4.91902495
0.00027170 0.00061761 0.00015132
-0.02276513 0.01155784 0.00273091
-11.24041680 -0.70863418 -20.15068370
0.00005224 0.00067040 0.00016832
-0.00872453 -0.01328832 0.02810951
-12.16958530 -0.59387499 -17.23514600
0.00057747 -0.00088439 0.00005616
0.00789766 -0.00449875 -0.00546649
-0.96183223 0.59898430 -17.39536573
0.00058870 0.00124036 0.00033294
0.01447202 -0.02068726 -0.00707820
-0.90885943 -2.36071764 -17.28195101
-0.00043040 0.00013127 0.00025653
-0.02183121 -0.03438738 0.00984398
7.21202043 7.95393783 -9.90414943
-0.00055869 -0.00028520 -0.00017858
-0.01510689 -0.00775469 0.01647208
6.13410070 10.36105302 -11.36541549
0.00006526 0.00066110 0.00098185
-0.01326677 0.01187389 0.01027961
2.35178314 30.46057415 -16.64725370
-0.00071087 -0.00034266 -0.00037835
0.00911755 0.00660456 -0.00970428
1.11841986 30.09382482 -13.92857434
-0.00027212 -0.00013702 0.00065681
0.00271881 -0.00972231 -0.03777177
-12.01036848 -5.05701097 -0.80480811
0.00010623 0.00074962 0.00055724
-0.00624600 -0.00449224 0.00340248
-9.75167029 -3.86154345 -2.00868245
0.00043721 -0.00045690 -0.00102519
0.00018139 -0.00368735 0.01315253
-5.13726422 -16.59698470 -28.94218792
-0.00028826 -0.00034233 -0.00016768
0.02732545 0.00531023 0.03995175
-4.31446303 -14.09735706 -27.62837175
-0.00009501 0.00005300 0.00046215
0.00530347 -0.00593179 0.01259383
-12.78096814 -2.03883375 17.64585110
-0.00030170 -0.00009800 -0.00027081
0.00539611 -0.00177949 -0.00260006
-15.07860410 -0.58783272 18.35956537
0.00016142 -0.00025291 0.00025971
-0.01107200 0.00231762 -0.00442975
-10.27843782 15.04793403 -4.72021942
-0.00095699 -0.00004302 0.00067376
0.00036276 -0.01373122 -0.00042017
-7.61332861 13.80083212 -3.90416324
-0.00048542 0.00000412 -0.00032828
0.02694856 0.00055895 0.02294076
20.77245868 6.55441065 -0.37537622
0.00037156 -0.00061505 -0.00001228
-0.02185352 0.00323622 -0.02191839
21.73262633 5.70813703 2.18675509
0.00070673 -0.00084141 0.00015620
0.00079477 0.00107330 0.00215867
-21.36810357 -8.19310202 11.73753517
-0.00011463 0.00031361 -0.00028528
-0.00071477 -0.01296423 0.00333346
-21.90983448 -5.36937267 11.25962317
-0.00074186 0.00015706 -0.00010804
-0.00926867 -0.01335553 0.00724874
3.12575464 -7.89325788 29.00771003
-0.00103136 -0.00006013 0.00001364
-0.01247396 -0.00845103 -0.01453947
0.72138013 -9.57674415 27.65228398
-0.00011702 0.00058049 -0.00011721
0.02303159 0.00735307 0.00642511
0.93035485 -7.53546445 -2.05879851
0.00077569 0.00037167 -0.00020485
0.01587921 -0.00157242 0.00737995
-0.33223938 -6.54328317 -4.51394845
0.00059833 -0.00014246 -0.00029047
-0.00074902 0.00506605 -0.00825313
-10.31442185 9.33930959 13.22099612
0.00116436 -0.00017746 0.00071036
-0.00476250 -0.03309035 0.01074087
-12.74217981 7.55828818 13.51883457
-0.00030458 -0.00042753 -0.00053713
0.06091490 -0.00094257 -0.00661468
9.93094353 10.04228004 7.69287506
0.00041229 0.00027438 0.00046666
-0.00328525 0.02426857 -0.01967306
10.75908294 11.98958489 5.43030071
0.00086327 -0.00009552 0.00019955
0.00473058 -0.01020701 -0.00058311
6.47656783 3.79298502 -7.22942281
-0.00044199 0.00014182 0.00052299
-0.01526997 -0.00531391 0.00183423
8.98118319 4.18325617 -8.21718448
0.00027577 -0.00066436 0.00037863
0.03236464 -0.01522530 -0.00986125
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.57111214
-170.57111241
-170.57111259
-170.57111242
-170.57111233
-170.57111218
-170.57111213
-170.57111207
-170.57111206
-170.57111206
-1100.41285218
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.57072901
-170.57072906
-1100.41284763
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.75228334
-170.57062463
-170.57062467
-1100.41284805
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.79049144 0.32997841
-170.57076062
-170.57076063
-1100.41284841
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.81717657 0.08001315 -0.00346111
-170.57086850
-170.57086850
-1100.41284850
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.81962862 0.51495289 -0.07128501
-170.57082772
-170.57082773
-1100.41284852
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.02343242 -0.94512251 0.28779867
-170.57083071
-170.57083071
-1100.41284854
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.08976275 0.23002341 -0.08604880
-170.57084939
-170.57084939
-1100.41284854
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.30987274 -0.02278886 -0.08340921
-170.57085564
-170.57085564
-1100.41284854
BOSampleStepper: end scf iteration
805.30784656
0.00000000
-1309.77051339
127.01808215
-451.32260199
-271.64567271
94.75172937
646.81841729
0.00000000
0.00000000
-1100.41285938
0.00000000
-0.00026843
-1100.41312781
-5.7580098300 -5.1385733600 -0.9592840800
-2.9996227154 7.8228777255 -2.3916409729
-8.7576325454 2.6843043655 -3.3509250529
17.30627311 -2.87077766 4.46147169
0.00008185 -0.00020430 -0.00010987
0.01561014 -0.00162865 -0.00628396
-8.38494639 3.98370113 -1.41711767
-0.00022434 -0.00010218 0.00001429
-0.01054464 0.00299125 0.00168748
-28.33974435 8.42064572 11.90213928
0.00019414 0.00002589 0.00010229
-0.02631025 -0.01793049 -0.01017389
15.90695958 15.25527879 1.75373632
0.00023493 0.00026988 0.00005170
-0.02532484 0.02476115 -0.02447481
-12.87585047 24.58636650 -32.70456560
0.00008473 0.00034696 -0.00005862
-0.02312497 -0.00599346 -0.00543742
12.36916287 11.48959483 2.47370675
0.00001606 -0.00006959 -0.00017983
-0.04852316 -0.02259752 -0.01802532
9.59848266 -22.46448944 8.60050056
0.00031337 0.00039340 -0.00028264
0.01390615 -0.02782496 0.03459068
18.57118474 8.85554382 -17.33556662
0.00018960 -0.00020752 0.00011492
-0.00337033 0.00957440 0.01415280
12.61589873 4.38658318 -40.37650084
0.00000625 -0.00010058 -0.00020383
0.00370156 0.01441532 0.00571900
-8.60808520 6.85718964 2.84586958
-0.00008681 0.00005159 -0.00000838
-0.00934153 0.00114863 -0.03441781
-17.90410153 -26.37945497 23.05193102
0.00014785 0.00038365 0.00012010
-0.04670418 -0.01707169 0.03379413
-4.29000416 15.48271653 -10.80962736
-0.00001761 0.00001523 -0.00017573
-0.00108356 -0.03705472 -0.00851863
-4.71094304 -3.54888079 -9.39750790
0.00039641 0.00014227 0.00028004
-0.00143173 0.07628478 0.03799373
-18.67751503 24.18023941 -6.65437737
0.00014629 -0.00016815 0.00002904
0.03071989 0.00439943 0.00353407
-6.28807473 14.09617359 6.08243512
-0.00000701 0.00009510 -0.00037390
-0.02692413 -0.01594929 0.02350525
13.57328283 38.44582808 9.76901330
0.00003894 0.00008925 0.00017800
-0.01643488 -0.07025688 -0.03580065
15.83512581 0.89642860 13.92600264
0.00019050 0.00035897 -0.00024840
0.04775553 -0.04675132 -0.00922559
31.96605085 -5.46458307 3.12993202
0.00001322 -0.00015266 -0.00012612
-0.01092871 -0.02648806 -0.02187906
-7.54260936 28.43666898 -6.38725531
-0.00027579 -0.00007696 -0.00001136
0.00466741 -0.01050295 -0.01007600
-5.64418634 -0.27812659 -2.94362982
0.00002766 -0.00002062 0.00010381
-0.02370018 -0.00216280 -0.03046609
1.18725790 -1.28788012 24.68953578
0.00010261 -0.00040912 -0.00026893
0.02659861 0.00843978 -0.00109215
1.20412969 7.12433678 -5.95669387
0.00044756 -0.00013841 -0.00025371
0.00173921 0.01377971 0.00348222
-17.45758305 11.50481043 24.99193832
-0.00000202 0.00005392 -0.00002718
0.01647240 -0.00978830 -0.03114779
14.06748739 19.23855074 16.27112376
0.00003166 0.00005083 0.00013399
-0.00785129 -0.02708787 0.00917889
-3.29181460 -3.62071805 -0.27825385
-0.00008827 -0.00002269 -0.00002124
-0.03139189 0.02598879 0.04135458
16.30628761 3.93313248 9.91862402
-0.00002608 0.00016280 -0.00009919
-0.00046933 0.00163547 -0.01611487
5.74323770 13.08410998 -5.83484637
-0.00021247 0.00029286 -0.00009319
-0.00386644 -0.01547569 0.01351315
4.82423973 7.66156109 4.18492225
-0.00000850 0.00015312 -0.00025155
-0.01422276 -0.01408108 0.02652932
9.18519129 5.85918124 1.57500716
0.00025343 -0.00002086 0.00001418
0.00678378 0.00261833 0.02947765
-0.24818300 19.48234688 -6.70304256
0.00009672 -0.00000102 -0.00008209
-0.00480484 0.02817723 0.02016228
-1.39217467 1.04953205 12.36123830
0.00001457 -0.00012076 -0.00046406
-0.01951347 -0.01838508 0.01631727
-19.66533889 -7.67860648 22.86164952
-0.00005308 0.00009078 0.00020923
0.01765285 -0.00095463 0.01669661
3.47409981 12.53201189 13.02649108
-0.00002549 -0.00022721 0.00004391
0.03375317 0.00513845 0.02895471
-5.00196257 13.17276664 -1.87840590
-0.00052421 -0.00013685 0.00016057
0.04213029 0.04849245 0.01056853
8.64254625 6.84566180 7.68239605
-0.00022631 -0.00030258 -0.00005924
0.00198671 0.00909185 -0.03532933
10.97356651 0.94514400 23.40847501
-0.00033353 0.00016202 0.00010844
0.00164609 0.00112515 0.00675672
25.83978011 3.23619054 -1.04193329
0.00008534 0.00011526 -0.00012308
0.03229120 -0.03643958 -0.01758553
-11.95650067 -4.37915802 -11.48266260
0.00016091 -0.00010227 -0.00004760
-0.01327915 -0.01381735 -0.00369551
15.20141680 -11.28470733 -9.68684095
0.00022186 0.00009856 0.00016728
0.01515881 -0.00239852 0.01273995
-0.29300627 -37.99458829 12.83220032
-0.00024318 0.00008979 0.00017547
0.02598377 -0.00223379 -0.01350681
-24.08610422 11.18195138 4.06041562
-0.00009888 -0.00007046 -0.00001682
0.01109330 0.01987962 0.00518819
-26.05742447 3.60931884 5.47056627
-0.00023904 0.00009105 0.00028923
-0.04179062 0.01463541 0.00077044
6.22061876 -7.30920083 30.19046496
-0.00006268 0.00001957 0.00002846
-0.00607901 -0.05066276 0.03634957
-0.02059415 2.46017300 -4.97711301
0.00028462 0.00006629 0.00002676
-0.05683012 -0.01428095 -0.01809854
-13.66741016 -7.63430311 -5.33680973
-0.00009956 -0.00025681 0.00047142
0.02727811 0.00391026 0.01446770
2.77007266 -1.96638633 12.76698765
-0.00003883 -0.00017010 0.00001785
0.00067681 -0.00117381 0.01680429
-17.09820303 18.98122667 10.72015708
-0.00003575 0.00003365 -0.00011947
0.00902278 -0.00469785 -0.00419990
-1.92816144 17.57786178 6.82015984
0.00001065 -0.00007481 0.00008925
0.00679370 -0.00051377 -0.00225419
5.70583510 8.66507587 -4.24106209
0.00021363 0.00020339 -0.00006294
0.01088302 -0.01790029 -0.00536454
-11.29140224 -1.66964634 -18.49096634
-0.00024317 -0.00005111 0.00014360
-0.00457018 0.00576192 -0.03189242
0.11172730 -0.97625922 -17.71081950
0.00026683 -0.00005504 0.00017642
0.00170093 0.05953129 0.00645036
7.18929768 8.88365951 -11.44923960
-0.00000578 0.00017095 -0.00003251
0.01902838 -0.00811394 -0.02423395
1.19467726 29.40118541 -15.73802926
0.00010867 0.00020266 -0.00012363
-0.01341212 -0.00236996 0.05341285
-10.31747925 -4.53352272 -0.36915313
0.00019003 0.00011073 -0.00014670
0.01052562 0.01412735 -0.02619481
-3.94602757 -15.91200578 -27.46779391
0.00028338 0.00000168 -0.00024445
-0.03042956 0.00002014 -0.03884094
-14.10822730 -2.03278674 18.90430679
-0.00000720 -0.00007879 0.00014023
0.01211094 -0.00002563 -0.00183302
-8.79849842 14.03410763 -5.23604423
-0.00006606 0.00003899 0.00003481
-0.02265500 0.02432051 -0.02431329
22.18114581 6.72469867 0.70886163
0.00001685 -0.00021791 -0.00013488
0.01947185 0.00145015 0.02036046
-22.76472597 -7.04229634 11.34662855
-0.00032887 -0.00010554 0.00006971
0.00823087 0.02978556 -0.00941854
1.88428560 -8.03232348 27.56419019
-0.00024378 0.00013273 -0.00037695
-0.00296461 -0.00578510 0.00839226
-0.65644322 -7.01227719 -2.78473113
0.00008362 -0.00030661 0.00011366
-0.01918177 -0.01432516 0.00828539
-10.76191469 7.45945145 13.42285714
-0.00015271 0.00011465 0.00008582
-0.04612009 0.03195445 0.00254734
9.77657512 11.82364386 6.98566809
-0.00022035 -0.00039907 0.00027120
0.00906257 -0.00308845 0.02653240
7.57998072 5.17803915 -7.72220306
-0.00026227 0.00012820 0.00006808
-0.01321027 0.01281565 0.00629054
17.98684243 -3.14640120 6.14086959
0.00027086 0.00070975 -0.00002436
-0.00147999 -0.00203594 -0.00569003
15.52203890 -2.55417541 4.64096828
0.00033061 -0.00081325 -0.00086781
-0.01445799 0.00427333 0.00759883
-8.21620657 4.86703448 -3.05708045
0.00021921 -0.00004224 -0.00040961
-0.00175695 -0.00570918 0.00449564
-7.31773113 2.50356955 -1.69300216
-0.00036700 -0.00063318 -0.00109617
0.00746970 -0.00516375 0.00000788
-28.76135050 8.35903657 10.10428920
0.00033956 -0.00008475 0.00041528
0.00498352 0.00783308 -0.00547535
-29.66161754 9.45573164 12.67499473
0.00033124 0.00020073 0.00013150
0.00106606 0.00583687 0.00267560
16.39734696 15.05599512 3.55839086
-0.00068523 0.00060110 -0.00026019
0.00061134 0.00363080 0.00226873
15.17936811 16.97307469 1.31016041
-0.00032639 -0.00024067 0.00080017
0.00816018 -0.02794245 0.01051841
-11.08597259 24.32370528 -32.93623062
-0.00005975 0.00030426 0.00015963
0.01587584 0.00220430 -0.00177955
-13.61426667 24.57240245 -34.41859407
-0.00050758 -0.00076322 0.00017442
0.00811782 0.00144120 0.00662463
10.59735017 11.32454878 1.66650904
0.00092483 -0.00074898 -0.00004090
0.04416372 0.00869861 0.01662774
13.24822001 12.96901431 1.81013652
0.00054904 -0.00093376 -0.00000797
0.00503667 0.00828383 -0.00419114
10.09637384 -21.05721831 7.61973093
-0.00005849 -0.00093943 -0.00040718
0.00278663 0.02786007 -0.02001131
8.05125501 -23.18320230 8.09321978
0.00035758 0.00132142 0.00051100
-0.02416151 -0.00251025 -0.01030063
17.66147238 7.97859330 -18.65786860
0.00099108 0.00003913 0.00065352
-0.01055159 -0.00034537 -0.00774222
18.02495567 10.64543101 -17.43441432
-0.00010571 0.00011600 0.00007392
-0.00054312 -0.00912893 -0.00129639
11.50341675 5.63653348 -39.47331504
-0.00004291 0.00027611 0.00030349
0.00373370 -0.00926812 -0.01446474
13.09823438 5.27016974 -41.97918917
-0.00010861 -0.00070090 0.00025253
0.00435282 0.00031642 0.00610908
-9.60003728 8.45758876 2.37923329
0.00084854 0.00048255 -0.00067626
0.01679201 -0.02450775 0.00635001
-8.53568180 5.71208457 1.23450205
-0.00055222 -0.00019537 0.00006282
0.00089873 0.02737065 0.02610898
-17.54419760 -24.93094232 22.10498648
0.00060689 0.00005671 0.00032357
0.01463790 0.02256388 -0.02225665
-19.74577451 -25.83959725 23.81509951
-0.00023139 0.00000298 -0.00037892
0.03224319 -0.00726903 -0.00538760
-5.24270581 13.75566055 -10.90874900
0.00040093 0.00046651 -0.00049739
0.03372554 0.04236549 0.00789333
-2.36979326 15.44197192 -10.81161663
-0.00017422 -0.00015348 0.00083175
-0.02929987 -0.01064881 -0.00690224
-3.36690548 -3.55536328 -8.08225291
-0.00008386 0.00095997 -0.00021606
-0.00223174 -0.01399168 -0.01214286
-4.83835610 -5.11759619 -10.25946495
0.00017258 -0.00008506 0.00050341
0.00512977 -0.04248025 -0.01249939
-18.92578661 23.44147263 -8.29131227
0.00037783 0.00071415 0.00025352
0.00527363 -0.01699775 -0.01883808
-20.35130004 24.72420657 -6.41566543
-0.00005025 0.00094534 0.00061937
-0.03557637 0.01515786 0.01985379
-4.91731083 15.14888669 6.58146332
0.00029541 -0.00017589 0.00008884
0.02920441 0.01456062 0.00417911
-7.60404203 14.61177085 7.37372102
0.00037143 -0.00013909 0.00042533
0.00604348 -0.01056063 -0.01022806
11.93076510 37.49887023 9.16714595
0.00001060 -0.00120585 -0.00035602
0.03534544 0.02657290 0.01022612
13.18498804 40.06949257 10.35967457
0.00069911 -0.00057197 0.00024896
-0.02211037 0.04018950 0.00997562
17.15327291 -0.66307900 13.80299714
-0.00111663 0.00004956 -0.00046517
-0.03984015 0.03723417 0.00393572
16.05575552 1.74104258 12.23431091
-0.00016505 -0.00112033 0.00009878
-0.00574742 0.00448726 0.00508020
31.01138603 -4.78687812 1.71284272
-0.00029350 -0.00011008 0.00063062
-0.00598095 0.00709271 -0.00389844
33.23957241 -4.25193771 3.38345934
-0.00045456 0.00018608 0.00025447
0.02851422 0.02511439 0.01497752
-8.87053536 29.30383055 -7.30704309
-0.00042487 0.00015179 0.00005537
-0.00631936 0.00564055 -0.01102703
-7.14650321 26.91668761 -7.45280692
0.00043892 -0.00028120 0.00055497
-0.00805655 0.00914297 0.00652337
-4.96254171 -1.68179938 -1.89924685
0.00007197 0.00034977 0.00038151
0.00286110 -0.00315580 -0.00941987
-6.78602573 -1.04171326 -4.27907588
0.00014089 -0.00003832 0.00025123
0.02486235 0.01239699 0.02904012
-0.02858445 -2.48914131 24.11185493
0.00018226 -0.00118642 -0.00036457
-0.01993618 -0.00913484 -0.01137670
0.68992781 -0.99973823 26.55777609
-0.00040703 0.00126180 -0.00057238
0.00657870 -0.00540285 -0.00178943
1.23710650 5.27819490 -5.76522880
0.00002586 -0.00109815 0.00040007
-0.00730661 -0.00457525 -0.00180996
-0.33966606 7.54620890 -4.97950055
-0.00023939 0.00015523 0.00067045
0.00320724 -0.00230086 -0.00584551
-17.73975326 13.28074065 24.78997502
-0.00054678 -0.00072761 -0.00014552
-0.00268811 0.01392613 -0.00112775
-17.31500400 10.97557142 23.19656340
-0.00069889 -0.00034406 -0.00007462
-0.00502476 -0.00091487 0.01745312
15.63186778 19.96615211 15.70315953
-0.00014068 -0.00042586 -0.00117331
0.01654385 0.00259414 -0.01032134
14.46305096 17.39709811 16.28563506
0.00009651 0.00028704 0.00051033
-0.00045975 0.01531399 0.00864393
-2.98939615 -5.37808998 -0.45855262
-0.00009324 0.00072238 -0.00041207
0.00600880 -0.02106424 -0.01077254
-4.40565391 -3.42757525 1.26203728
-0.00028950 0.00010136 -0.00001196
0.01537149 -0.00449545 -0.01044178
15.01872572 4.43883703 8.54534483
0.00008225 0.00055742 0.00031835
0.01110743 -0.01015920 0.01787742
16.88837211 5.43337073 10.81908950
0.00056361 0.00056228 -0.00013753
-0.00653766 -0.00418605 -0.00136700
6.00056738 11.08944163 -5.49213399
-0.00020223 -0.00067763 0.00078464
-0.01213328 0.02990743 0.00593994
4.70151030 13.68622747 -4.38895569
0.00010335 -0.00060911 0.00124152
0.01193562 -0.00801062 -0.01475999
5.83109032 6.60924605 3.10663661
-0.00031160 0.00044094 0.00022149
0.00744484 -0.01176326 -0.00775663
5.09192470 9.31356068 3.49094919
-0.00041934 0.00007593 0.00040376
-0.00094882 0.01791917 -0.00829077
10.06449589 4.26102589 1.59849573
0.00038408 -0.00023687 -0.00054876
-0.00187434 -0.00784446 -0.00094796
8.75340892 6.04183238 -0.13409188
0.00026243 -0.00070027 -0.00118026
-0.00806163 0.00266280 -0.02970738
0.86813481 19.84048800 -8.12753838
-0.00065178 0.00055368 -0.00034292
0.00555983 -0.00004728 -0.00699193
0.11475229 20.94475584 -5.52720987
-0.00040791 -0.00010854 0.00042236
-0.00720973 -0.02498489 -0.01819538
-2.50302387 -0.20699752 13.25539212
-0.00101587 -0.00042631 -0.00011956
0.02053312 0.01385314 -0.01458277
-2.65760786 1.99747892 11.44256693
0.00043805 -0.00059832 0.00103265
0.00336615 0.00524135 -0.00620129
-18.96836705 -5.95347530 22.74033680
0.00010330 0.00117178 -0.00068679
0.00149667 -0.00068273 -0.00986041
-20.00308066 -7.81053930 24.73575640
-0.00041777 0.00093202 0.00003848
-0.01504098 0.00072708 -0.01148438
4.12116211 12.78676489 14.87045576
0.00046160 0.00069793 0.00087334
-0.01072236 -0.00225880 -0.03267376
2.36926288 11.06710587 13.07768947
-0.00044804 0.00040080 0.00015031
-0.01505160 -0.00200370 -0.00369907
-3.38951366 14.38062061 -1.71026172
-0.00029292 0.00035035 0.00101520
-0.04031582 -0.04071677 -0.02166283
-6.00117770 13.98903449 -0.47272192
-0.00057466 -0.00013838 0.00023651
0.00103451 -0.01273085 -0.00220373
7.59670858 7.40958651 6.20517793
-0.00047001 0.00009267 0.00057938
0.00211430 -0.00956320 0.01316126
7.69907084 7.29261229 9.14665409
0.00021371 -0.00015687 -0.00050461
-0.01411809 0.00840578 0.02586580
12.57722815 1.80411842 23.11107321
-0.00015463 -0.00121283 0.00051753
0.00051302 0.00680478 -0.00365287
10.76191866 0.03301121 21.84075463
0.00024164 0.00068162 0.00014672
-0.00759328 -0.00995126 -0.00481279
25.61405799 1.65611488 -0.09182255
-0.00042972 0.00082537 0.00008496
-0.00046989 -0.00043903 0.00071070
24.93983685 4.42731932 -0.11406168
-0.00061430 0.00026884 -0.00126244
-0.02462960 0.03814507 0.02473888
-11.95581813 -2.58950757 -11.77952433
-0.00007443 0.00002666 0.00060095
-0.00059854 0.00672715 -0.00355026
-11.16913703 -4.55967539 -9.80842510
-0.00052622 -0.00038142 -0.00078485
0.00104448 0.00755107 0.00005361
15.17564651 -10.31650003 -7.98861839
-0.00029354 -0.00039246 -0.00021035
-0.00577926 -0.01675454 -0.01537164
14.48606548 -10.19293940 -10.99370170
0.00002139 -0.00037367 -0.00003752
-0.00284414 0.00583489 -0.00533385
0.14152692 -38.67424403 14.49213366
0.00080233 0.00005452 -0.00042557
-0.01122523 -0.00761299 -0.00108569
-2.07750824 -38.24272446 12.29568654
0.00004214 -0.00028738 0.00060758
0.00811749 0.00145956 0.01728448
-23.67972622 10.16644335 2.65299833
-0.00016121 0.00055873 -0.00019421
0.00882440 -0.01308327 -0.02753605
-25.19041991 10.06276044 4.94664039
-0.00023870 -0.00111492 0.00044154
-0.01820144 -0.00689571 0.01740538
-27.97372144 3.89133452 5.58657111
-0.00045101 0.00077728 0.00016832
0.04673103 -0.00838810 0.00276796
-25.26092009 4.81161441 6.69442053
0.00047471 0.00033831 0.00010302
-0.00006574 -0.00631582 -0.01211896
7.00240424 -6.56679031 28.71314392
-0.00024290 0.00050431 0.00028340
0.01533305 0.01554319 -0.01679181
6.97166463 -9.05661012 30.25251091
0.00086567 0.00008016 -0.00025902
-0.00630931 0.02046970 0.00226973
-1.96438957 2.44750163 -5.24423092
0.00006159 -0.00025595 -0.00022144
0.05256098 -0.00042977 0.00806316
0.28696092 2.56198438 -3.11581028
-0.00110021 -0.00006187 0.00008903
0.00718975 0.00323984 -0.00444595
-14.18165634 -6.00724327 -5.95554952
-0.00038391 -0.00037812 -0.00102272
-0.00782376 0.00327585 0.00249568
-15.06994331 -8.81184128 -5.49935588
0.00001764 -0.00000674 0.00012939
-0.01363203 -0.00306865 -0.00445839
1.64706021 -0.60880382 12.20264486
-0.00045166 -0.00106207 -0.00131311
0.00667054 -0.00248548 -0.01216001
4.24080650 -2.50703760 11.69360350
0.00075510 -0.00030047 -0.00040567
-0.01173548 0.00249216 -0.00341029
-15.82434244 18.73316470 12.01277034
0.00018375 -0.00009850 0.00090611
0.00494511 -0.00116360 -0.00606256
-16.85646702 17.62043123 9.38606224
-0.00102112 0.00037310 -0.00003264
-0.00508623 0.01583331 0.00613104
-0.88460262 17.43826812 8.35818278
-0.00024142 -0.00042082 0.00028427
-0.00527734 -0.01047006 -0.00569491
-0.80159401 16.96580728 5.43703848
0.00044120 0.00029451 -0.00107834
-0.00115676 0.00377081 0.01235369
3.92836385 7.98833239 -4.51601509
-0.00026264 -0.00048973 0.00011478
0.01346586 0.00246469 -0.00675785
6.94248821 7.38860035 -4.91902495
0.00027170 0.00061761 0.00015132
-0.02284513 0.01148914 0.00273928
-11.24041680 -0.70863418 -20.15068370
0.00005224 0.00067040 0.00016832
-0.00879314 -0.01335383 0.02810906
-12.16958530 -0.59387499 -17.23514600
0.00057747 -0.00088439 0.00005616
0.00782246 -0.00456251 -0.00546361
-0.96183223 0.59898430 -17.39536573
0.00058870 0.00124036 0.00033294
0.01437844 -0.02071971 -0.00707302
-0.90885943 -2.36071764 -17.28195101
-0.00043040 0.00013127 0.00025653
-0.02188788 -0.03440268 0.00983321
7.21202043 7.95393783 -9.90414943
-0.00055869 -0.00028520 -0.00017858
-0.01517162 -0.00779444 0.01644611
6.13410070 10.36105302 -11.36541549
0.00006526 0.00066110 0.00098185
-0.01332952 0.01179903 0.01027794
2.35178314 30.46057415 -16.64725370
-0.00071087 -0.00034266 -0.00037835
0.00907755 0.00653514 -0.00974593
1.11841986 30.09382482 -13.92857434
-0.00027212 -0.00013702 0.00065681
0.00264469 -0.00979687 -0.03777075
-12.01036848 -5.05701097 -0.80480811
0.00010623 0.00074962 0.00055724
-0.00631041 -0.00455833 0.00339738
-9.75167029 -3.86154345 -2.00868245
0.00043721 -0.00045690 -0.00102519
0.00011770 -0.00374833 0.01315838
-5.13726422 -16.59698470 -28.94218792
-0.00028826 -0.00034233 -0.00016768
0.02733993 0.00530642 0.04000638
-4.31446303 -14.09735706 -27.62837175
-0.00009501 0.00005300 0.00046215
0.00522975 -0.00599118 0.01260213
-12.78096814 -2.03883375 17.64585110
-0.00030170 -0.00009800 -0.00027081
0.00532779 -0.00184612 -0.00260109
-15.07860410 -0.58783272 18.35956537
0.00016142 -0.00025291 0.00025971
-0.01112175 0.00223788 -0.00442972
-10.27843782 15.04793403 -4.72021942
-0.00095699 -0.00004302 0.00067376
0.00033929 -0.01380979 -0.00042450
-7.61332861 13.80083212 -3.90416324
-0.00048542 0.00000412 -0.00032828
0.02691351 0.00048056 0.02297114
20.77245868 6.55441065 -0.37537622
0.00037156 -0.00061505 -0.00001228
-0.02193078 0.00315694 -0.02191257
21.73262633 5.70813703 2.18675509
0.00070673 -0.00084141 0.00015620
0.00072169 0.00101293 0.00214237
-21.36810357 -8.19310202 11.73753517
-0.00011463 0.00031361 -0.00028528
-0.00080582 -0.01301517 0.00331968
-21.90983448 -5.36937267 11.25962317
-0.00074186 0.00015706 -0.00010804
-0.00932796 -0.01338440 0.00726676
3.12575464 -7.89325788 29.00771003
-0.00103136 -0.00006013 0.00001364
-0.01246597 -0.00851635 -0.01448921
0.72138013 -9.57674415 27.65228398
-0.00011702 0.00058049 -0.00011721
0.02304223 0.00741527 0.00643172
0.93035485 -7.53546445 -2.05879851
0.00077569 0.00037167 -0.00020485
0.01585522 -0.00165425 0.00741928
-0.33223938 -6.54328317 -4.51394845
0.00059833 -0.00014246 -0.00029047
-0.00082965 0.00502313 -0.00828904
-10.31442185 9.33930959 13.22099612
0.00116436 -0.00017746 0.00071036
-0.00478393 -0.03307651 0.01075291
-12.74217981 7.55828818 13.51883457
-0.00030458 -0.00042753 -0.00053713
0.06086725 -0.00101313 -0.00661485
9.93094353 10.04228004 7.69287506
0.00041229 0.00027438 0.00046666
-0.00333109 0.02428669 -0.01969493
10.75908294 11.98958489 5.43030071
0.00086327 -0.00009552 0.00019955
0.00467708 -0.01028283 -0.00060486
6.47656783 3.79298502 -7.22942281
-0.00044199 0.00014182 0.00052299
-0.01527976 -0.00531042 0.00181588
8.98118319 4.18325617 -8.21718448
0.00027577 -0.00066436 0.00037863
0.03229651 -0.01528544 -0.00986562
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.57112336
-170.57112362
-170.57112381
-170.57112364
-170.57112354
-170.57112339
-170.57112334
-170.57112329
-170.57112328
-170.57112327
-1100.41287461
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.57150118
-170.57150123
-1100.41287006
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.75206991
-170.57161325
-170.57161330
-1100.41287048
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.79123265 0.33024645
-170.57148192
-170.57148192
-1100.41287084
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.81810472 0.08108219 -0.00393462
-170.57137815
-170.57137815
-1100.41287093
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.82049792 0.51519703 -0.07136196
-170.57141963
-170.57141963
-1100.41287095
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.02360739 -0.94560953 0.28774707
-170.57141885
-170.57141885
-1100.41287097
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.08906217 0.22965923 -0.08625919
-170.57140047
-170.57140047
-1100.41287097
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.31374997 -0.02156326 -0.08466613
-170.57139485
-170.57139485
-1100.41287097
BOSampleStepper: end scf iteration
805.30668863
0.00000000
-1309.76985125
127.01909759
-451.32322087
-271.64557348
94.75172937
646.81841729
0.00000000
0.00000000
-1100.41285938
0.00000000
0.00025167
-1100.41260771
-5.7580098300 -5.1385733600 -0.9592840800
-2.9998221321 7.6552569669 -2.3930035019
-8.7578319621 2.5166836068 -3.3522875819
17.30627311 -2.87077766 4.46147169
0.00008185 -0.00020430 -0.00010987
0.01558895 -0.00027007 -0.00627336
-8.38494639 3.98370113 -1.41711767
-0.00022434 -0.00010218 0.00001429
-0.01053848 0.00443259 0.00170798
-28.33974435 8.42064572 11.90213928
0.00019414 0.00002589 0.00010229
-0.02629676 -0.01653384 -0.01014479
15.90695958 15.25527879 1.75373632
0.00023493 0.00026988 0.00005170
-0.02531877 0.02617390 -0.02451201
-12.87585047 24.58636650 -32.70456560
0.00008473 0.00034696 -0.00005862
-0.02314663 -0.00458980 -0.00542868
12.36916287 11.48959483 2.47370675
0.00001606 -0.00006959 -0.00017983
-0.04849981 -0.02119476 -0.01803351
9.59848266 -22.46448944 8.60050056
0.00031337 0.00039340 -0.00028264
0.01390710 -0.02642482 0.03458613
18.57118474 8.85554382 -17.33556662
0.00018960 -0.00020752 0.00011492
-0.00333820 0.01099032 0.01417335
12.61589873 4.38658318 -40.37650084
0.00000625 -0.00010058 -0.00020383
0.00370534 0.01578765 0.00568660
-8.60808520 6.85718964 2.84586958
-0.00008681 0.00005159 -0.00000838
-0.00933645 0.00258454 -0.03437971
-17.90410153 -26.37945497 23.05193102
0.00014785 0.00038365 0.00012010
-0.04672997 -0.01566270 0.03380017
-4.29000416 15.48271653 -10.80962736
-0.00001761 0.00001523 -0.00017573
-0.00101497 -0.03563828 -0.00850566
-4.71094304 -3.54888079 -9.39750790
0.00039641 0.00014227 0.00028004
-0.00142536 0.07781956 0.03805160
-18.67751503 24.18023941 -6.65437737
0.00014629 -0.00016815 0.00002904
0.03073404 0.00578359 0.00357730
-6.28807473 14.09617359 6.08243512
-0.00000701 0.00009510 -0.00037390
-0.02693245 -0.01456369 0.02348221
13.57328283 38.44582808 9.76901330
0.00003894 0.00008925 0.00017800
-0.01643034 -0.06884299 -0.03578129
15.83512581 0.89642860 13.92600264
0.00019050 0.00035897 -0.00024840
0.04774208 -0.04527225 -0.00926923
31.96605085 -5.46458307 3.12993202
0.00001322 -0.00015266 -0.00012612
-0.01089809 -0.02512131 -0.02191303
-7.54260936 28.43666898 -6.38725531
-0.00027579 -0.00007696 -0.00001136
0.00468002 -0.00908302 -0.01006122
-5.64418634 -0.27812659 -2.94362982
0.00002766 -0.00002062 0.00010381
-0.02375067 -0.00075475 -0.03051374
1.18725790 -1.28788012 24.68953578
0.00010261 -0.00040912 -0.00026893
0.02658093 0.00984610 -0.00106171
1.20412969 7.12433678 -5.95669387
0.00044756 -0.00013841 -0.00025371
0.00174757 0.01517314 0.00347074
-17.45758305 11.50481043 24.99193832
-0.00000202 0.00005392 -0.00002718
0.01647203 -0.00837635 -0.03116596
14.06748739 19.23855074 16.27112376
0.00003166 0.00005083 0.00013399
-0.00781990 -0.02571572 0.00915839
-3.29181460 -3.62071805 -0.27825385
-0.00008827 -0.00002269 -0.00002124
-0.03141139 0.02734936 0.04134825
16.30628761 3.93313248 9.91862402
-0.00002608 0.00016280 -0.00009919
-0.00046376 0.00302471 -0.01615736
5.74323770 13.08410998 -5.83484637
-0.00021247 0.00029286 -0.00009319
-0.00383576 -0.01396859 0.01351708
4.82423973 7.66156109 4.18492225
-0.00000850 0.00015312 -0.00025155
-0.01423070 -0.01271141 0.02650020
9.18519129 5.85918124 1.57500716
0.00025343 -0.00002086 0.00001418
0.00676088 0.00396326 0.02947490
-0.24818300 19.48234688 -6.70304256
0.00009672 -0.00000102 -0.00008209
-0.00481162 0.02951428 0.02013188
-1.39217467 1.04953205 12.36123830
0.00001457 -0.00012076 -0.00046406
-0.01953411 -0.01702603 0.01631473
-19.66533889 -7.67860648 22.86164952
-0.00005308 0.00009078 0.00020923
0.01764366 0.00046483 0.01666485
3.47409981 12.53201189 13.02649108
-0.00002549 -0.00022721 0.00004391
0.03373531 0.00656050 0.02895358
-5.00196257 13.17276664 -1.87840590
-0.00052421 -0.00013685 0.00016057
0.04212122 0.04986537 0.01059281
8.64254625 6.84566180 7.68239605
-0.00022631 -0.00030258 -0.00005924
0.00197562 0.01051765 -0.03531680
10.97356651 0.94514400 23.40847501
-0.00033353 0.00016202 0.00010844
0.00166264 0.00254992 0.00677725
25.83978011 3.23619054 -1.04193329
0.00008534 0.00011526 -0.00012308
0.03229305 -0.03503888 -0.01757619
-11.95650067 -4.37915802 -11.48266260
0.00016091 -0.00010227 -0.00004760
-0.01330833 -0.01246858 -0.00368912
15.20141680 -11.28470733 -9.68684095
0.00022186 0.00009856 0.00016728
0.01521141 -0.00092619 0.01278020
-0.29300627 -37.99458829 12.83220032
-0.00024318 0.00008979 0.00017547
0.02600309 -0.00087892 -0.01349574
-24.08610422 11.18195138 4.06041562
-0.00009888 -0.00007046 -0.00001682
0.01114497 0.02127310 0.00517399
-26.05742447 3.60931884 5.47056627
-0.00023904 0.00009105 0.00028923
-0.04179355 0.01602473 0.00074515
6.22061876 -7.30920083 30.19046496
-0.00006268 0.00001957 0.00002846
-0.00605171 -0.04929644 0.03633152
-0.02059415 2.46017300 -4.97711301
0.00028462 0.00006629 0.00002676
-0.05680510 -0.01285881 -0.01809488
-13.66741016 -7.63430311 -5.33680973
-0.00009956 -0.00025681 0.00047142
0.02733267 0.00529658 0.01448875
2.77007266 -1.96638633 12.76698765
-0.00003883 -0.00017010 0.00001785
0.00065506 0.00026633 0.01688374
-17.09820303 18.98122667 10.72015708
-0.00003575 0.00003365 -0.00011947
0.00900841 -0.00330545 -0.00413463
-1.92816144 17.57786178 6.82015984
0.00001065 -0.00007481 0.00008925
0.00680143 0.00089209 -0.00224177
5.70583510 8.66507587 -4.24106209
0.00021363 0.00020339 -0.00006294
0.01090320 -0.01644197 -0.00541697
-11.29140224 -1.66964634 -18.49096634
-0.00024317 -0.00005111 0.00014360
-0.00458649 0.00714084 -0.03184419
0.11172730 -0.97625922 -17.71081950
0.00026683 -0.00005504 0.00017642
0.00169050 0.06094387 0.00644605
7.18929768 8.88365951 -11.44923960
-0.00000578 0.00017095 -0.00003251
0.01897412 -0.00670546 -0.02425769
1.19467726 29.40118541 -15.73802926
0.00010867 0.00020266 -0.00012363
-0.01340038 -0.00104467 0.05340688
-10.31747925 -4.53352272 -0.36915313
0.00019003 0.00011073 -0.00014670
0.01049503 0.01549702 -0.02620326
-3.94602757 -15.91200578 -27.46779391
0.00028338 0.00000168 -0.00024445
-0.03038997 0.00137296 -0.03878303
-14.10822730 -2.03278674 18.90430679
-0.00000720 -0.00007879 0.00014023
0.01210640 0.00133936 -0.00179742
-8.79849842 14.03410763 -5.23604423
-0.00006606 0.00003899 0.00003481
-0.02268092 0.02570401 -0.02430280
22.18114581 6.72469867 0.70886163
0.00001685 -0.00021791 -0.00013488
0.01942931 0.00282150 0.02037324
-22.76472597 -7.04229634 11.34662855
-0.00032887 -0.00010554 0.00006971
0.00818751 0.03120679 -0.00944304
1.88428560 -8.03232348 27.56419019
-0.00024378 0.00013273 -0.00037695
-0.00293268 -0.00439224 0.00841640
-0.65644322 -7.01227719 -2.78473113
0.00008362 -0.00030661 0.00011366
-0.01915960 -0.01292102 0.00825521
-10.76191469 7.45945145 13.42285714
-0.00015271 0.00011465 0.00008582
-0.04609447 0.03333172 0.00250722
9.77657512 11.82364386 6.98566809
-0.00022035 -0.00039907 0.00027120
0.00908004 -0.00164301 0.02651244
7.57998072 5.17803915 -7.72220306
-0.00026227 0.00012820 0.00006808
-0.01320584 0.01423237 0.00629595
17.98684243 -3.14640120 6.14086959
0.00027086 0.00070975 -0.00002436
-0.00147077 -0.00192096 -0.00568716
15.52203890 -2.55417541 4.64096828
0.00033061 -0.00081325 -0.00086781
-0.01441763 0.00439526 0.00759027
-8.21620657 4.86703448 -3.05708045
0.00021921 -0.00004224 -0.00040961
-0.00176491 -0.00557202 0.00452706
-7.31773113 2.50356955 -1.69300216
-0.00036700 -0.00063318 -0.00109617
0.00752056 -0.00512050 -0.00000926
-28.76135050 8.35903657 10.10428920
0.00033956 -0.00008475 0.00041528
0.00497097 0.00794938 -0.00546757
-29.66161754 9.45573164 12.67499473
0.00033124 0.00020073 0.00013150
0.00111282 0.00589837 0.00264421
16.39734696 15.05599512 3.55839086
-0.00068523 0.00060110 -0.00026019
0.00061778 0.00376701 0.00233763
15.17936811 16.97307469 1.31016041
-0.00032639 -0.00024067 0.00080017
0.00821249 -0.02786682 0.01057086
-11.08597259 24.32370528 -32.93623062
-0.00005975 0.00030426 0.00015963
0.01587529 0.00233562 -0.00177260
-13.61426667 24.57240245 -34.41859407
-0.00050758 -0.00076322 0.00017442
0.00811761 0.00156513 0.00662713
10.59735017 11.32454878 1.66650904
0.00092483 -0.00074898 -0.00004090
0.04416427 0.00883337 0.01662112
13.24822001 12.96901431 1.81013652
0.00054904 -0.00093376 -0.00000797
0.00495212 0.00835158 -0.00417661
10.09637384 -21.05721831 7.61973093
-0.00005849 -0.00093943 -0.00040718
0.00273745 0.02790345 -0.01997719
8.05125501 -23.18320230 8.09321978
0.00035758 0.00132142 0.00051100
-0.02416094 -0.00239391 -0.01030052
17.66147238 7.97859330 -18.65786860
0.00099108 0.00003913 0.00065352
-0.01058319 -0.00022819 -0.00777453
18.02495567 10.64543101 -17.43441432
-0.00010571 0.00011600 0.00007392
-0.00052386 -0.00910416 -0.00130943
11.50341675 5.63653348 -39.47331504
-0.00004291 0.00027611 0.00030349
0.00381153 -0.00916846 -0.01449124
13.09823438 5.27016974 -41.97918917
-0.00010861 -0.00070090 0.00025253
0.00431265 0.00043062 0.00618035
-9.60003728 8.45758876 2.37923329
0.00084854 0.00048255 -0.00067626
0.01685387 -0.02450587 0.00635794
-8.53568180 5.71208457 1.23450205
-0.00055222 -0.00019537 0.00006282
0.00091038 0.02744735 0.02599789
-17.54419760 -24.93094232 22.10498648
0.00060689 0.00005671 0.00032357
0.01463286 0.02272929 -0.02225629
-19.74577451 -25.83959725 23.81509951
-0.00023139 0.00000298 -0.00037892
0.03232693 -0.00715213 -0.00542676
-5.24270581 13.75566055 -10.90874900
0.00040093 0.00046651 -0.00049739
0.03365276 0.04246849 0.00791501
-2.36979326 15.44197192 -10.81161663
-0.00017422 -0.00015348 0.00083175
-0.02933705 -0.01050485 -0.00689634
-3.36690548 -3.55536328 -8.08225291
-0.00008386 0.00095997 -0.00021606
-0.00223181 -0.01383820 -0.01213663
-4.83835610 -5.11759619 -10.25946495
0.00017258 -0.00008506 0.00050341
0.00512462 -0.04253702 -0.01259304
-18.92578661 23.44147263 -8.29131227
0.00037783 0.00071415 0.00025352
0.00524459 -0.01689238 -0.01889875
-20.35130004 24.72420657 -6.41566543
-0.00005025 0.00094534 0.00061937
-0.03555824 0.01528252 0.01983710
-4.91731083 15.14888669 6.58146332
0.00029541 -0.00017589 0.00008884
0.02915765 0.01467560 0.00417819
-7.60404203 14.61177085 7.37372102
0.00037143 -0.00013909 0.00042533
0.00605697 -0.01041087 -0.01023979
11.93076510 37.49887023 9.16714595
0.00001060 -0.00120585 -0.00035602
0.03528752 0.02666004 0.01018225
13.18498804 40.06949257 10.35967457
0.00069911 -0.00057197 0.00024896
-0.02206453 0.04023158 0.00992665
17.15327291 -0.66307900 13.80299714
-0.00111663 0.00004956 -0.00046517
-0.03975806 0.03724070 0.00395692
16.05575552 1.74104258 12.23431091
-0.00016505 -0.00112033 0.00009878
-0.00575445 0.00454900 0.00519684
31.01138603 -4.78687812 1.71284272
-0.00029350 -0.00011008 0.00063062
-0.00594951 0.00721134 -0.00386594
33.23957241 -4.25193771 3.38345934
-0.00045456 0.00018608 0.00025447
0.02847313 0.02522104 0.01494396
-8.87053536 29.30383055 -7.30704309
-0.00042487 0.00015179 0.00005537
-0.00628105 0.00574650 -0.01098182
-7.14650321 26.91668761 -7.45280692
0.00043892 -0.00028120 0.00055497
-0.00804531 0.00917306 0.00644687
-4.96254171 -1.68179938 -1.89924685
0.00007197 0.00034977 0.00038151
0.00293171 -0.00309025 -0.00933577
-6.78602573 -1.04171326 -4.27907588
0.00014089 -0.00003832 0.00025123
0.02486379 0.01254356 0.02904458
-0.02858445 -2.48914131 24.11185493
0.00018226 -0.00118642 -0.00036457
-0.01996669 -0.00900670 -0.01140069
0.68992781 -0.99973823 26.55777609
-0.00040703 0.00126180 -0.00057238
0.00658605 -0.00525584 -0.00182111
1.23710650 5.27819490 -5.76522880
0.00002586 -0.00109815 0.00040007
-0.00734061 -0.00458984 -0.00178132
-0.33966606 7.54620890 -4.97950055
-0.00023939 0.00015523 0.00067045
0.00322098 -0.00216222 -0.00584660
-17.73975326 13.28074065 24.78997502
-0.00054678 -0.00072761 -0.00014552
-0.00265587 0.01401349 -0.00111629
-17.31500400 10.97557142 23.19656340
-0.00069889 -0.00034406 -0.00007462
-0.00502181 -0.00079014 0.01743403
15.63186778 19.96615211 15.70315953
-0.00014068 -0.00042586 -0.00117331
0.01651960 0.00272149 -0.01030867
14.46305096 17.39709811 16.28563506
0.00009651 0.00028704 0.00051033
-0.00046057 0.01538221 0.00868232
-2.98939615 -5.37808998 -0.45855262
-0.00009324 0.00072238 -0.00041207
0.00602326 -0.02095355 -0.01081356
-4.40565391 -3.42757525 1.26203728
-0.00028950 0.00010136 -0.00001196
0.01537331 -0.00435489 -0.01045173
15.01872572 4.43883703 8.54534483
0.00008225 0.00055742 0.00031835
0.01112294 -0.00999569 0.01789109
16.88837211 5.43337073 10.81908950
0.00056361 0.00056228 -0.00013753
-0.00657867 -0.00410165 -0.00140133
6.00056738 11.08944163 -5.49213399
-0.00020223 -0.00067763 0.00078464
-0.01213418 0.02978299 0.00601786
4.70151030 13.68622747 -4.38895569
0.00010335 -0.00060911 0.00124152
0.01194652 -0.00788353 -0.01478341
5.83109032 6.60924605 3.10663661
-0.00031160 0.00044094 0.00022149
0.00746626 -0.01163738 -0.00777591
5.09192470 9.31356068 3.49094919
-0.00041934 0.00007593 0.00040376
-0.00096847 0.01795484 -0.00822326
10.06449589 4.26102589 1.59849573
0.00038408 -0.00023687 -0.00054876
-0.00186394 -0.00776294 -0.00097011
8.75340892 6.04183238 -0.13409188
0.00026243 -0.00070027 -0.00118026
-0.00805650 0.00278766 -0.02970070
0.86813481 19.84048800 -8.12753838
-0.00065178 0.00055368 -0.00034292
0.00554744 0.00008629 -0.00698148
0.11475229 20.94475584 -5.52720987
-0.00040791 -0.00010854 0.00042236
-0.00720450 -0.02486996 -0.01819353
-2.50302387 -0.20699752 13.25539212
-0.00101587 -0.00042631 -0.00011956
0.02052078 0.01395562 -0.01457526
-2.65760786 1.99747892 11.44256693
0.00043805 -0.00059832 0.00103265
0.00336420 0.00536602 -0.00619459
-18.96836705 -5.95347530 22.74033680
0.00010330 0.00117178 -0.00068679
0.00144079 -0.00066856 -0.00984710
-20.00308066 -7.81053930 24.73575640
-0.00041777 0.00093202 0.00003848
-0.01503835 0.00086905 -0.01146271
4.12116211 12.78676489 14.87045576
0.00046160 0.00069793 0.00087334
-0.01072786 -0.00211255 -0.03270177
2.36926288 11.06710587 13.07768947
-0.00044804 0.00040080 0.00015031
-0.01511666 -0.00191488 -0.00371770
-3.38951366 14.38062061 -1.71026172
-0.00029292 0.00035035 0.00101520
-0.04036889 -0.04060158 -0.02163778
-6.00117770 13.98903449 -0.47272192
-0.00057466 -0.00013838 0.00023651
0.00107638 -0.01260188 -0.00225086
7.59670858 7.40958651 6.20517793
-0.00047001 0.00009267 0.00057938
0.00211367 -0.00942777 0.01317262
7.69907084 7.29261229 9.14665409
0.00021371 -0.00015687 -0.00050461
-0.01412242 0.00852874 0.02582873
12.57722815 1.80411842 23.11107321
-0.00015463 -0.00121283 0.00051753
0.00046875 0.00689169 -0.00363546
10.76191866 0.03301121 21.84075463
0.00024164 0.00068162 0.00014672
-0.00761657 -0.00983894 -0.00484586
25.61405799 1.65611488 -0.09182255
-0.00042972 0.00082537 0.00008496
-0.00048867 -0.00041466 0.00075565
24.93983685 4.42731932 -0.11406168
-0.00061430 0.00026884 -0.00126244
-0.02459244 0.03823731 0.02471410
-11.95581813 -2.58950757 -11.77952433
-0.00007443 0.00002666 0.00060095
-0.00059271 0.00685489 -0.00354358
-11.16913703 -4.55967539 -9.80842510
-0.00052622 -0.00038142 -0.00078485
0.00104872 0.00769633 0.00005704
15.17564651 -10.31650003 -7.98861839
-0.00029354 -0.00039246 -0.00021035
-0.00577605 -0.01663595 -0.01547814
14.48606548 -10.19293940 -10.99370170
0.00002139 -0.00037367 -0.00003752
-0.00283565 0.00595230 -0.00526815
0.14152692 -38.67424403 14.49213366
0.00080233 0.00005452 -0.00042557
-0.01120941 -0.00748763 -0.00104094
-2.07750824 -38.24272446 12.29568654
0.00004214 -0.00028738 0.00060758
0.00811360 0.00160857 0.01727428
-23.67972622 10.16644335 2.65299833
-0.00016121 0.00055873 -0.00019421
0.00882338 -0.01297177 -0.02756098
-25.19041991 10.06276044 4.94664039
-0.00023870 -0.00111492 0.00044154
-0.01823113 -0.00676607 0.01743582
-27.97372144 3.89133452 5.58657111
-0.00045101 0.00077728 0.00016832
0.04673000 -0.00825513 0.00277330
-25.26092009 4.81161441 6.69442053
0.00047471 0.00033831 0.00010302
-0.00012486 -0.00621189 -0.01214025
7.00240424 -6.56679031 28.71314392
-0.00024290 0.00050431 0.00028340
0.01527604 0.01564758 -0.01670127
6.97166463 -9.05661012 30.25251091
0.00086567 0.00008016 -0.00025902
-0.00626783 0.02055260 0.00228233
-1.96438957 2.44750163 -5.24423092
0.00006159 -0.00025595 -0.00022144
0.05255638 -0.00031038 0.00806438
0.28696092 2.56198438 -3.11581028
-0.00110021 -0.00006187 0.00008903
0.00717622 0.00337432 -0.00447022
-14.18165634 -6.00724327 -5.95554952
-0.00038391 -0.00037812 -0.00102272
-0.00783613 0.00338008 0.00247875
-15.06994331 -8.81184128 -5.49935588
0.00001764 -0.00000674 0.00012939
-0.01375280 -0.00300151 -0.00447262
1.64706021 -0.60880382 12.20264486
-0.00045166 -0.00106207 -0.00131311
0.00671822 -0.00238049 -0.01215835
4.24080650 -2.50703760 11.69360350
0.00075510 -0.00030047 -0.00040567
-0.01165238 0.00256707 -0.00347061
-15.82434244 18.73316470 12.01277034
0.00018375 -0.00009850 0.00090611
0.00492879 -0.00101633 -0.00605928
-16.85646702 17.62043123 9.38606224
-0.00102112 0.00037310 -0.00003264
-0.00510516 0.01591463 0.00601891
-0.88460262 17.43826812 8.35818278
-0.00024142 -0.00042082 0.00028427
-0.00526732 -0.01032980 -0.00567004
-0.80159401 16.96580728 5.43703848
0.00044120 0.00029451 -0.00107834
-0.00110769 0.00388164 0.01231575
3.92836385 7.98833239 -4.51601509
-0.00026264 -0.00048973 0.00011478
0.01339199 0.00259750 -0.00677361
6.94248821 7.38860035 -4.91902495
0.00027170 0.00061761 0.00015132
-0.02280453 0.01159092 0.00269481
-11.24041680 -0.70863418 -20.15068370
0.00005224 0.00067040 0.00016832
-0.00879119 -0.01322213 0.02812677
-12.16958530 -0.59387499 -17.23514600
0.00057747 -0.00088439 0.00005616
0.00785035 -0.00445691 -0.00552798
-0.96183223 0.59898430 -17.39536573
0.00058870 0.00124036 0.00033294
0.01444376 -0.02071132 -0.00707660
-0.90885943 -2.36071764 -17.28195101
-0.00043040 0.00013127 0.00025653
-0.02192001 -0.03435175 0.00985943
7.21202043 7.95393783 -9.90414943
-0.00055869 -0.00028520 -0.00017858
-0.01516488 -0.00771497 0.01650337
6.13410070 10.36105302 -11.36541549
0.00006526 0.00066110 0.00098185
-0.01327046 0.01187052 0.01026393
2.35178314 30.46057415 -16.64725370
-0.00071087 -0.00034266 -0.00037835
0.00907394 0.00668197 -0.00971918
1.11841986 30.09382482 -13.92857434
-0.00027212 -0.00013702 0.00065681
0.00266053 -0.00966461 -0.03779131
-12.01036848 -5.05701097 -0.80480811
0.00010623 0.00074962 0.00055724
-0.00630738 -0.00442786 0.00339077
-9.75167029 -3.86154345 -2.00868245
0.00043721 -0.00045690 -0.00102519
0.00011464 -0.00362394 0.01314644
-5.13726422 -16.59698470 -28.94218792
-0.00028826 -0.00034233 -0.00016768
0.02725943 0.00539773 0.03995787
-4.31446303 -14.09735706 -27.62837175
-0.00009501 0.00005300 0.00046215
0.00523079 -0.00587823 0.01257277
-12.78096814 -2.03883375 17.64585110
-0.00030170 -0.00009800 -0.00027081
0.00534411 -0.00172778 -0.00260214
-15.07860410 -0.58783272 18.35956537
0.00016142 -0.00025291 0.00025971
-0.01111063 0.00238267 -0.00442178
-10.27843782 15.04793403 -4.72021942
-0.00095699 -0.00004302 0.00067376
0.00036135 -0.01368746 -0.00040767
-7.61332861 13.80083212 -3.90416324
-0.00048542 0.00000412 -0.00032828
0.02693128 0.00062232 0.02299539
20.77245868 6.55441065 -0.37537622
0.00037156 -0.00061505 -0.00001228
-0.02191467 0.00329706 -0.02190387
21.73262633 5.70813703 2.18675509
0.00070673 -0.00084141 0.00015620
0.00072519 0.00113012 0.00216187
-21.36810357 -8.19310202 11.73753517
-0.00011463 0.00031361 -0.00028528
-0.00073100 -0.01299021 0.00337202
-21.90983448 -5.36937267 11.25962317
-0.00074186 0.00015706 -0.00010804
-0.00934322 -0.01329857 0.00723924
3.12575464 -7.89325788 29.00771003
-0.00103136 -0.00006013 0.00001364
-0.01248605 -0.00836532 -0.01451472
0.72138013 -9.57674415 27.65228398
-0.00011702 0.00058049 -0.00011721
0.02294630 0.00739123 0.00641679
0.93035485 -7.53546445 -2.05879851
0.00077569 0.00037167 -0.00020485
0.01587662 -0.00151331 0.00742494
-0.33223938 -6.54328317 -4.51394845
0.00059833 -0.00014246 -0.00029047
-0.00083171 0.00511211 -0.00822105
-10.31442185 9.33930959 13.22099612
0.00116436 -0.00017746 0.00071036
-0.00485173 -0.03303112 0.01073488
-12.74217981 7.55828818 13.51883457
-0.00030458 -0.00042753 -0.00053713
0.06086779 -0.00087393 -0.00660406
9.93094353 10.04228004 7.69287506
0.00041229 0.00027438 0.00046666
-0.00338122 0.02429939 -0.01965777
10.75908294 11.98958489 5.43030071
0.00086327 -0.00009552 0.00019955
0.00467358 -0.01012733 -0.00060903
6.47656783 3.79298502 -7.22942281
-0.00044199 0.00014182 0.00052299
-0.01534635 -0.00525717 0.00183149
8.98118319 4.18325617 -8.21718448
0.00027577 -0.00066436 0.00037863
0.03234425 -0.01520099 -0.00987893
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.57112263
-170.57112290
-170.57112308
-170.57112291
-170.57112282
-170.57112267
-170.57112262
-170.57112257
-170.57112256
-170.57112255
-1100.41287316
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.57145207
-170.57145212
-1100.41286862
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.76688749
-170.57152179
-170.57152184
-1100.41286906
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77874027 0.32758361
-170.57139034
-170.57139035
-1100.41286943
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.82458905 0.09332371 -0.00871154
-170.57128441
-170.57128441
-1100.41286953
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.61239378 0.40029493 -0.05814808
-170.57131068
-170.57131068
-1100.41286955
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.20245899 -0.90040765 0.28654499
-170.57130264
-170.57130264
-1100.41286957
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.02760652 0.22514238 -0.10575431
-170.57128364
-170.57128364
-1100.41286957
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.06278685 -0.10156071 -0.00670252
-170.57127556
-170.57127556
-1100.41286957
BOSampleStepper: end scf iteration
805.30681753
0.00000000
-1309.77008343
127.01916205
-451.32312475
-271.64563082
94.75172937
646.81841729
0.00000000
0.00000000
-1100.41285942
0.00000000
0.00032687
-1100.41253255
-5.7580098300 -5.1385733600 -0.9592840800
-2.9996299131 7.7397459860 -2.3094027694
-8.7576397431 2.6011726260 -3.2686868494
17.30627311 -2.87077766 4.46147169
0.00008185 -0.00020430 -0.00010987
0.01560054 -0.00095083 -0.00694974
-8.38494639 3.98370113 -1.41711767
-0.00022434 -0.00010218 0.00001429
-0.01052351 0.00370116 0.00096531
-28.33974435 8.42064572 11.90213928
0.00019414 0.00002589 0.00010229
-0.02631222 -0.01724814 -0.01083239
15.90695958 15.25527879 1.75373632
0.00023493 0.00026988 0.00005170
-0.02532409 0.02548630 -0.02525604
-12.87585047 24.58636650 -32.70456560
0.00008473 0.00034696 -0.00005862
-0.02314391 -0.00529167 -0.00610394
12.36916287 11.48959483 2.47370675
0.00001606 -0.00006959 -0.00017983
-0.04849015 -0.02189720 -0.01871684
9.59848266 -22.46448944 8.60050056
0.00031337 0.00039340 -0.00028264
0.01393947 -0.02712783 0.03388791
18.57118474 8.85554382 -17.33556662
0.00018960 -0.00020752 0.00011492
-0.00334650 0.01027597 0.01347773
12.61589873 4.38658318 -40.37650084
0.00000625 -0.00010058 -0.00020383
0.00370756 0.01511550 0.00497700
-8.60808520 6.85718964 2.84586958
-0.00008681 0.00005159 -0.00000838
-0.00931938 0.00185326 -0.03511788
-17.90410153 -26.37945497 23.05193102
0.00014785 0.00038365 0.00012010
-0.04669606 -0.01636730 0.03312306
-4.29000416 15.48271653 -10.80962736
-0.00001761 0.00001523 -0.00017573
-0.00104194 -0.03635482 -0.00918624
-4.71094304 -3.54888079 -9.39750790
0.00039641 0.00014227 0.00028004
-0.00142166 0.07702876 0.03733549
-18.67751503 24.18023941 -6.65437737
0.00014629 -0.00016815 0.00002904
0.03073665 0.00508340 0.00287529
-6.28807473 14.09617359 6.08243512
-0.00000701 0.00009510 -0.00037390
-0.02692435 -0.01523667 0.02277346
13.57328283 38.44582808 9.76901330
0.00003894 0.00008925 0.00017800
-0.01643355 -0.06956407 -0.03652725
15.83512581 0.89642860 13.92600264
0.00019050 0.00035897 -0.00024840
0.04774476 -0.04600435 -0.00995418
31.96605085 -5.46458307 3.12993202
0.00001322 -0.00015266 -0.00012612
-0.01089796 -0.02579970 -0.02260129
-7.54260936 28.43666898 -6.38725531
-0.00027579 -0.00007696 -0.00001136
0.00465991 -0.00981668 -0.01077420
-5.64418634 -0.27812659 -2.94362982
0.00002766 -0.00002062 0.00010381
-0.02372702 -0.00143343 -0.03116729
1.18725790 -1.28788012 24.68953578
0.00010261 -0.00040912 -0.00026893
0.02662602 0.00913583 -0.00181529
1.20412969 7.12433678 -5.95669387
0.00044756 -0.00013841 -0.00025371
0.00172930 0.01449217 0.00280173
-17.45758305 11.50481043 24.99193832
-0.00000202 0.00005392 -0.00002718
0.01648073 -0.00907085 -0.03182431
14.06748739 19.23855074 16.27112376
0.00003166 0.00005083 0.00013399
-0.00784273 -0.02639852 0.00846639
-3.29181460 -3.62071805 -0.27825385
-0.00008827 -0.00002269 -0.00002124
-0.03141703 0.02666810 0.04067205
16.30628761 3.93313248 9.91862402
-0.00002608 0.00016280 -0.00009919
-0.00049227 0.00235910 -0.01687449
5.74323770 13.08410998 -5.83484637
-0.00021247 0.00029286 -0.00009319
-0.00387365 -0.01472048 0.01282589
4.82423973 7.66156109 4.18492225
-0.00000850 0.00015312 -0.00025155
-0.01424162 -0.01338482 0.02582521
9.18519129 5.85918124 1.57500716
0.00025343 -0.00002086 0.00001418
0.00678167 0.00328681 0.02882295
-0.24818300 19.48234688 -6.70304256
0.00009672 -0.00000102 -0.00008209
-0.00480405 0.02886920 0.01945316
-1.39217467 1.04953205 12.36123830
0.00001457 -0.00012076 -0.00046406
-0.01951950 -0.01770224 0.01564719
-19.66533889 -7.67860648 22.86164952
-0.00005308 0.00009078 0.00020923
0.01763561 -0.00023045 0.01595603
3.47409981 12.53201189 13.02649108
-0.00002549 -0.00022721 0.00004391
0.03372211 0.00584653 0.02826208
-5.00196257 13.17276664 -1.87840590
-0.00052421 -0.00013685 0.00016057
0.04213605 0.04916409 0.00988434
8.64254625 6.84566180 7.68239605
-0.00022631 -0.00030258 -0.00005924
0.00198643 0.00980277 -0.03602930
10.97356651 0.94514400 23.40847501
-0.00033353 0.00016202 0.00010844
0.00164337 0.00182850 0.00608059
25.83978011 3.23619054 -1.04193329
0.00008534 0.00011526 -0.00012308
0.03225581 -0.03574400 -0.01827886
-11.95650067 -4.37915802 -11.48266260
0.00016091 -0.00010227 -0.00004760
-0.01330736 -0.01314844 -0.00439288
15.20141680 -11.28470733 -9.68684095
0.00022186 0.00009856 0.00016728
0.01518495 -0.00167723 0.01201789
-0.29300627 -37.99458829 12.83220032
-0.00024318 0.00008979 0.00017547
0.02595732 -0.00156013 -0.01421421
-24.08610422 11.18195138 4.06041562
-0.00009888 -0.00007046 -0.00001682
0.01112809 0.02058484 0.00451719
-26.05742447 3.60931884 5.47056627
-0.00023904 0.00009105 0.00028923
-0.04179685 0.01533536 0.00007385
6.22061876 -7.30920083 30.19046496
-0.00006268 0.00001957 0.00002846
-0.00607069 -0.04997495 0.03560462
-0.02059415 2.46017300 -4.97711301
0.00028462 0.00006629 0.00002676
-0.05681910 -0.01356475 -0.01880018
-13.66741016 -7.63430311 -5.33680973
-0.00009956 -0.00025681 0.00047142
0.02731308 0.00459350 0.01380124
2.77007266 -1.96638633 12.76698765
-0.00003883 -0.00017010 0.00001785
0.00068216 -0.00048878 0.01614483
-17.09820303 18.98122667 10.72015708
-0.00003575 0.00003365 -0.00011947
0.00903468 -0.00405236 -0.00487518
-1.92816144 17.57786178 6.82015984
0.00001065 -0.00007481 0.00008925
0.00680058 0.00018375 -0.00295149
5.70583510 8.66507587 -4.24106209
0.00021363 0.00020339 -0.00006294
0.01088841 -0.01717149 -0.00607441
-11.29140224 -1.66964634 -18.49096634
-0.00024317 -0.00005111 0.00014360
-0.00456301 0.00642805 -0.03258246
0.11172730 -0.97625922 -17.71081950
0.00026683 -0.00005504 0.00017642
0.00170607 0.06024400 0.00573307
7.18929768 8.88365951 -11.44923960
-0.00000578 0.00017095 -0.00003251
0.01899752 -0.00741091 -0.02493956
1.19467726 29.40118541 -15.73802926
0.00010867 0.00020266 -0.00012363
-0.01340333 -0.00170077 0.05272040
-10.31747925 -4.53352272 -0.36915313
0.00019003 0.00011073 -0.00014670
0.01051102 0.01481584 -0.02685716
-3.94602757 -15.91200578 -27.46779391
0.00028338 0.00000168 -0.00024445
-0.03041470 0.00068269 -0.03950083
-14.10822730 -2.03278674 18.90430679
-0.00000720 -0.00007879 0.00014023
0.01210046 0.00063781 -0.00249442
-8.79849842 14.03410763 -5.23604423
-0.00006606 0.00003899 0.00003481
-0.02268290 0.02501336 -0.02503524
22.18114581 6.72469867 0.70886163
0.00001685 -0.00021791 -0.00013488
0.01945814 0.00212519 0.01966939
-22.76472597 -7.04229634 11.34662855
-0.00032887 -0.00010554 0.00006971
0.00819260 0.03051482 -0.01013737
1.88428560 -8.03232348 27.56419019
-0.00024378 0.00013273 -0.00037695
-0.00292350 -0.00510808 0.00770506
-0.65644322 -7.01227719 -2.78473113
0.00008362 -0.00030661 0.00011366
-0.01917648 -0.01360942 0.00757618
-10.76191469 7.45945145 13.42285714
-0.00015271 0.00011465 0.00008582
-0.04611724 0.03265160 0.00184925
9.77657512 11.82364386 6.98566809
-0.00022035 -0.00039907 0.00027120
0.00906874 -0.00236164 0.02582321
7.57998072 5.17803915 -7.72220306
-0.00026227 0.00012820 0.00006808
-0.01318849 0.01352578 0.00561608
17.98684243 -3.14640120 6.14086959
0.00027086 0.00070975 -0.00002436
-0.00146727 -0.00198096 -0.00577056
15.52203890 -2.55417541 4.64096828
0.00033061 -0.00081325 -0.00086781
-0.01444030 0.00433744 0.00751657
-8.21620657 4.86703448 -3.05708045
0.00021921 -0.00004224 -0.00040961
-0.00176864 -0.00565936 0.00450738
-7.31773113 2.50356955 -1.69300216
-0.00036700 -0.00063318 -0.00109617
0.00748485 -0.00512717 -0.00007526
-28.76135050 8.35903657 10.10428920
0.00033956 -0.00008475 0.00041528
0.00497296 0.00789315 -0.00550288
-29.66161754 9.45573164 12.67499473
0.00033124 0.00020073 0.00013150
0.00106969 0.00588154 0.00259590
16.39734696 15.05599512 3.55839086
-0.00068523 0.00060110 -0.00026019
0.00065164 0.00366323 0.00234387
15.17936811 16.97307469 1.31016041
-0.00032639 -0.00024067 0.00080017
0.00821008 -0.02793145 0.01048718
-11.08597259 24.32370528 -32.93623062
-0.00005975 0.00030426 0.00015963
0.01588053 0.00226617 -0.00185309
-13.61426667 24.57240245 -34.41859407
-0.00050758 -0.00076322 0.00017442
0.00812820 0.00150384 0.00658991
10.59735017 11.32454878 1.66650904
0.00092483 -0.00074898 -0.00004090
0.04416260 0.00876990 0.01655644
13.24822001 12.96901431 1.81013652
0.00054904 -0.00093376 -0.00000797
0.00498418 0.00831071 -0.00425652
10.09637384 -21.05721831 7.61973093
-0.00005849 -0.00093943 -0.00040718
0.00274010 0.02786999 -0.02006066
8.05125501 -23.18320230 8.09321978
0.00035758 0.00132142 0.00051100
-0.02417107 -0.00245085 -0.01036859
17.66147238 7.97859330 -18.65786860
0.00099108 0.00003913 0.00065352
-0.01054678 -0.00027094 -0.00781347
18.02495567 10.64543101 -17.43441432
-0.00010571 0.00011600 0.00007392
-0.00053762 -0.00911533 -0.00137579
11.50341675 5.63653348 -39.47331504
-0.00004291 0.00027611 0.00030349
0.00376012 -0.00921217 -0.01454690
13.09823438 5.27016974 -41.97918917
-0.00010861 -0.00070090 0.00025253
0.00429821 0.00033831 0.00613613
-9.60003728 8.45758876 2.37923329
0.00084854 0.00048255 -0.00067626
0.01682220 -0.02450981 0.00627258
-8.53568180 5.71208457 1.23450205
-0.00055222 -0.00019537 0.00006282
0.00088913 0.02746525 0.02604905
-17.54419760 -24.93094232 22.10498648
0.00060689 0.00005671 0.00032357
0.01462937 0.02265223 -0.02231977
-19.74577451 -25.83959725 23.81509951
-0.00023139 0.00000298 -0.00037892
0.03224321 -0.00719646 -0.00546888
-5.24270581 13.75566055 -10.90874900
0.00040093 0.00046651 -0.00049739
0.03368068 0.04240572 0.00784125
-2.36979326 15.44197192 -10.81161663
-0.00017422 -0.00015348 0.00083175
-0.02933483 -0.01058042 -0.00696203
-3.36690548 -3.55536328 -8.08225291
-0.00008386 0.00095997 -0.00021606
-0.00220395 -0.01391339 -0.01218889
-4.83835610 -5.11759619 -10.25946495
0.00017258 -0.00008506 0.00050341
0.00512328 -0.04246945 -0.01260497
-18.92578661 23.44147263 -8.29131227
0.00037783 0.00071415 0.00025352
0.00527099 -0.01692050 -0.01891135
-20.35130004 24.72420657 -6.41566543
-0.00005025 0.00094534 0.00061937
-0.03558588 0.01522826 0.01978195
-4.91731083 15.14888669 6.58146332
0.00029541 -0.00017589 0.00008884
0.02918569 0.01461534 0.00410990
-7.60404203 14.61177085 7.37372102
0.00037143 -0.00013909 0.00042533
0.00600458 -0.01047925 -0.01026057
11.93076510 37.49887023 9.16714595
0.00001060 -0.00120585 -0.00035602
0.03534389 0.02664122 0.01015462
13.18498804 40.06949257 10.35967457
0.00069911 -0.00057197 0.00024896
-0.02209944 0.04024017 0.00989571
17.15327291 -0.66307900 13.80299714
-0.00111663 0.00004956 -0.00046517
-0.03979850 0.03722908 0.00386837
16.05575552 1.74104258 12.23431091
-0.00016505 -0.00112033 0.00009878
-0.00575239 0.00446507 0.00512620
31.01138603 -4.78687812 1.71284272
-0.00029350 -0.00011008 0.00063062
-0.00594144 0.00713862 -0.00392992
33.23957241 -4.25193771 3.38345934
-0.00045456 0.00018608 0.00025447
0.02850178 0.02518263 0.01489519
-8.87053536 29.30383055 -7.30704309
-0.00042487 0.00015179 0.00005537
-0.00627830 0.00566957 -0.01105496
-7.14650321 26.91668761 -7.45280692
0.00043892 -0.00028120 0.00055497
-0.00805634 0.00919950 0.00644258
-4.96254171 -1.68179938 -1.89924685
0.00007197 0.00034977 0.00038151
0.00292471 -0.00316974 -0.00942034
-6.78602573 -1.04171326 -4.27907588
0.00014089 -0.00003832 0.00025123
0.02485853 0.01246772 0.02897998
-0.02858445 -2.48914131 24.11185493
0.00018226 -0.00118642 -0.00036457
-0.01993720 -0.00906336 -0.01145664
0.68992781 -0.99973823 26.55777609
-0.00040703 0.00126180 -0.00057238
0.00654815 -0.00531719 -0.00174021
1.23710650 5.27819490 -5.76522880
0.00002586 -0.00109815 0.00040007
-0.00732871 -0.00460151 -0.00186538
-0.33966606 7.54620890 -4.97950055
-0.00023939 0.00015523 0.00067045
0.00320169 -0.00223002 -0.00590962
-17.73975326 13.28074065 24.78997502
-0.00054678 -0.00072761 -0.00014552
-0.00266410 0.01396152 -0.00118824
-17.31500400 10.97557142 23.19656340
-0.00069889 -0.00034406 -0.00007462
-0.00502070 -0.00084207 0.01738469
15.63186778 19.96615211 15.70315953
-0.00014068 -0.00042586 -0.00117331
0.01651232 0.00265241 -0.01037502
14.46305096 17.39709811 16.28563506
0.00009651 0.00028704 0.00051033
-0.00045920 0.01533120 0.00860370
-2.98939615 -5.37808998 -0.45855262
-0.00009324 0.00072238 -0.00041207
0.00600263 -0.02098957 -0.01085608
-4.40565391 -3.42757525 1.26203728
-0.00028950 0.00010136 -0.00001196
0.01535455 -0.00441813 -0.01047647
15.01872572 4.43883703 8.54534483
0.00008225 0.00055742 0.00031835
0.01117506 -0.01007809 0.01787196
16.88837211 5.43337073 10.81908950
0.00056361 0.00056228 -0.00013753
-0.00655635 -0.00412914 -0.00144842
6.00056738 11.08944163 -5.49213399
-0.00020223 -0.00067763 0.00078464
-0.01213195 0.02981275 0.00591631
4.70151030 13.68622747 -4.38895569
0.00010335 -0.00060911 0.00124152
0.01193760 -0.00793362 -0.01482985
5.83109032 6.60924605 3.10663661
-0.00031160 0.00044094 0.00022149
0.00745018 -0.01168745 -0.00782957
5.09192470 9.31356068 3.49094919
-0.00041934 0.00007593 0.00040376
-0.00096299 0.01790000 -0.00830826
10.06449589 4.26102589 1.59849573
0.00038408 -0.00023687 -0.00054876
-0.00186816 -0.00779158 -0.00102330
8.75340892 6.04183238 -0.13409188
0.00026243 -0.00070027 -0.00118026
-0.00805758 0.00272257 -0.02978435
0.86813481 19.84048800 -8.12753838
-0.00065178 0.00055368 -0.00034292
0.00552945 0.00001267 -0.00702216
0.11475229 20.94475584 -5.52720987
-0.00040791 -0.00010854 0.00042236
-0.00720995 -0.02492916 -0.01825725
-2.50302387 -0.20699752 13.25539212
-0.00101587 -0.00042631 -0.00011956
0.02052597 0.01389956 -0.01464778
-2.65760786 1.99747892 11.44256693
0.00043805 -0.00059832 0.00103265
0.00336174 0.00530254 -0.00625811
-18.96836705 -5.95347530 22.74033680
0.00010330 0.00117178 -0.00068679
0.00146674 -0.00067972 -0.00993033
-20.00308066 -7.81053930 24.73575640
-0.00041777 0.00093202 0.00003848
-0.01507125 0.00077861 -0.01147134
4.12116211 12.78676489 14.87045576
0.00046160 0.00069793 0.00087334
-0.01068277 -0.00216939 -0.03268272
2.36926288 11.06710587 13.07768947
-0.00044804 0.00040080 0.00015031
-0.01507762 -0.00194969 -0.00378611
-3.38951366 14.38062061 -1.71026172
-0.00029292 0.00035035 0.00101520
-0.04035551 -0.04066765 -0.02172517
-6.00117770 13.98903449 -0.47272192
-0.00057466 -0.00013838 0.00023651
0.00101143 -0.01263652 -0.00223726
7.59670858 7.40958651 6.20517793
-0.00047001 0.00009267 0.00057938
0.00215287 -0.00950359 0.01313591
7.69907084 7.29261229 9.14665409
0.00021371 -0.00015687 -0.00050461
-0.01413792 0.00849124 0.02583770
12.57722815 1.80411842 23.11107321
-0.00015463 -0.00121283 0.00051753
0.00047876 0.00683909 -0.00371445
10.76191866 0.03301121 21.84075463
0.00024164 0.00068162 0.00014672
-0.00758781 -0.00987497 -0.00487835
25.61405799 1.65611488 -0.09182255
-0.00042972 0.00082537 0.00008496
-0.00048166 -0.00045535 0.00066892
24.93983685 4.42731932 -0.11406168
-0.00061430 0.00026884 -0.00126244
-0.02461603 0.03820496 0.02465865
-11.95581813 -2.58950757 -11.77952433
-0.00007443 0.00002666 0.00060095
-0.00059261 0.00678979 -0.00361098
-11.16913703 -4.55967539 -9.80842510
-0.00052622 -0.00038142 -0.00078485
0.00108156 0.00762276 0.00004287
15.17564651 -10.31650003 -7.98861839
-0.00029354 -0.00039246 -0.00021035
-0.00579104 -0.01665252 -0.01538498
14.48606548 -10.19293940 -10.99370170
0.00002139 -0.00037367 -0.00003752
-0.00281872 0.00585780 -0.00532486
0.14152692 -38.67424403 14.49213366
0.00080233 0.00005452 -0.00042557
-0.01119342 -0.00757507 -0.00108046
-2.07750824 -38.24272446 12.29568654
0.00004214 -0.00028738 0.00060758
0.00814769 0.00153825 0.01721308
-23.67972622 10.16644335 2.65299833
-0.00016121 0.00055873 -0.00019421
0.00882895 -0.01302002 -0.02760912
-25.19041991 10.06276044 4.94664039
-0.00023870 -0.00111492 0.00044154
-0.01823269 -0.00684168 0.01736005
-27.97372144 3.89133452 5.58657111
-0.00045101 0.00077728 0.00016832
0.04672512 -0.00832455 0.00270895
-25.26092009 4.81161441 6.69442053
0.00047471 0.00033831 0.00010302
-0.00007048 -0.00625196 -0.01219003
7.00240424 -6.56679031 28.71314392
-0.00024290 0.00050431 0.00028340
0.01526280 0.01554950 -0.01675229
6.97166463 -9.05661012 30.25251091
0.00086567 0.00008016 -0.00025902
-0.00628388 0.02050704 0.00220420
-1.96438957 2.44750163 -5.24423092
0.00006159 -0.00025595 -0.00022144
0.05255420 -0.00037030 0.00799342
0.28696092 2.56198438 -3.11581028
-0.00110021 -0.00006187 0.00008903
0.00723044 0.00331810 -0.00445372
-14.18165634 -6.00724327 -5.95554952
-0.00038391 -0.00037812 -0.00102272
-0.00783704 0.00333627 0.00242171
-15.06994331 -8.81184128 -5.49935588
0.00001764 -0.00000674 0.00012939
-0.01369033 -0.00302850 -0.00453811
1.64706021 -0.60880382 12.20264486
-0.00045166 -0.00106207 -0.00131311
0.00670075 -0.00243048 -0.01222962
4.24080650 -2.50703760 11.69360350
0.00075510 -0.00030047 -0.00040567
-0.01173044 0.00256496 -0.00349750
-15.82434244 18.73316470 12.01277034
0.00018375 -0.00009850 0.00090611
0.00494312 -0.00109150 -0.00613317
-16.85646702 17.62043123 9.38606224
-0.00102112 0.00037310 -0.00003264
-0.00509247 0.01593088 0.00609053
-0.88460262 17.43826812 8.35818278
-0.00024142 -0.00042082 0.00028427
-0.00524978 -0.01041405 -0.00570079
-0.80159401 16.96580728 5.43703848
0.00044120 0.00029451 -0.00107834
-0.00116336 0.00384184 0.01228403
3.92836385 7.98833239 -4.51601509
-0.00026264 -0.00048973 0.00011478
0.01345384 0.00253762 -0.00683019
6.94248821 7.38860035 -4.91902495
0.00027170 0.00061761 0.00015132
-0.02284136 0.01156219 0.00267303
-11.24041680 -0.70863418 -20.15068370
0.00005224 0.00067040 0.00016832
-0.00878488 -0.01329402 0.02808248
-12.16958530 -0.59387499 -17.23514600
0.00057747 -0.00088439 0.00005616
0.00780318 -0.00447717 -0.00551981
-0.96183223 0.59898430 -17.39536573
0.00058870 0.00124036 0.00033294
0.01441505 -0.02071029 -0.00714356
-0.90885943 -2.36071764 -17.28195101
-0.00043040 0.00013127 0.00025653
-0.02190189 -0.03439107 0.00977991
7.21202043 7.95393783 -9.90414943
-0.00055869 -0.00028520 -0.00017858
-0.01516234 -0.00778283 0.01641682
6.13410070 10.36105302 -11.36541549
0.00006526 0.00066110 0.00098185
-0.01331041 0.01184245 0.01019824
2.35178314 30.46057415 -16.64725370
-0.00071087 -0.00034266 -0.00037835
0.00905156 0.00659564 -0.00978259
1.11841986 30.09382482 -13.92857434
-0.00027212 -0.00013702 0.00065681
0.00264232 -0.00972141 -0.03782528
-12.01036848 -5.05701097 -0.80480811
0.00010623 0.00074962 0.00055724
-0.00631799 -0.00449049 0.00333366
-9.75167029 -3.86154345 -2.00868245
0.00043721 -0.00045690 -0.00102519
0.00011632 -0.00368051 0.01308159
-5.13726422 -16.59698470 -28.94218792
-0.00028826 -0.00034233 -0.00016768
0.02732911 0.00537740 0.03992797
-4.31446303 -14.09735706 -27.62837175
-0.00009501 0.00005300 0.00046215
0.00522549 -0.00592170 0.01252198
-12.78096814 -2.03883375 17.64585110
-0.00030170 -0.00009800 -0.00027081
0.00533248 -0.00178458 -0.00266364
-15.07860410 -0.58783272 18.35956537
0.00016142 -0.00025291 0.00025971
-0.01111010 0.00230625 -0.00448757
-10.27843782 15.04793403 -4.72021942
-0.00095699 -0.00004302 0.00067376
0.00034959 -0.01375284 -0.00049414
-7.61332861 13.80083212 -3.90416324
-0.00048542 0.00000412 -0.00032828
0.02697293 0.00053996 0.02294335
20.77245868 6.55441065 -0.37537622
0.00037156 -0.00061505 -0.00001228
-0.02191194 0.00322116 -0.02194828
21.73262633 5.70813703 2.18675509
0.00070673 -0.00084141 0.00015620
0.00071602 0.00106023 0.00211366
-21.36810357 -8.19310202 11.73753517
-0.00011463 0.00031361 -0.00028528
-0.00075274 -0.01303327 0.00328287
-21.90983448 -5.36937267 11.25962317
-0.00074186 0.00015706 -0.00010804
-0.00933207 -0.01332408 0.00719294
3.12575464 -7.89325788 29.00771003
-0.00103136 -0.00006013 0.00001364
-0.01244339 -0.00842880 -0.01455697
0.72138013 -9.57674415 27.65228398
-0.00011702 0.00058049 -0.00011721
0.02299250 0.00740847 0.00634501
0.93035485 -7.53546445 -2.05879851
0.00077569 0.00037167 -0.00020485
0.01590854 -0.00158719 0.00736914
-0.33223938 -6.54328317 -4.51394845
0.00059833 -0.00014246 -0.00029047
-0.00082761 0.00503665 -0.00828348
-10.31442185 9.33930959 13.22099612
0.00116436 -0.00017746 0.00071036
-0.00481597 -0.03304948 0.01067089
-12.74217981 7.55828818 13.51883457
-0.00030458 -0.00042753 -0.00053713
0.06087240 -0.00094965 -0.00667732
9.93094353 10.04228004 7.69287506
0.00041229 0.00027438 0.00046666
-0.00335869 0.02428288 -0.01974281
10.75908294 11.98958489 5.43030071
0.00086327 -0.00009552 0.00019955
0.00464706 -0.01020703 -0.00062618
6.47656783 3.79298502 -7.22942281
-0.00044199 0.00014182 0.00052299
-0.01532403 -0.00529034 0.00175321
8.98118319 4.18325617 -8.21718448
0.00027577 -0.00066436 0.00037863
0.03230648 -0.01523412 -0.00994010
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.57111286
-170.57111313
-170.57111331
-170.57111314
-170.57111305
-170.57111290
-170.57111285
-170.57111280
-170.57111279
-170.57111278
-1100.41285363
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.57077811
-170.57077816
-1100.41284908
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.76848478
-170.57071618
-170.57071622
-1100.41284952
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77726411 0.32717280
-170.57085229
-170.57085230
-1100.41284990
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.82992996 0.09478091 -0.00921188
-170.57096265
-170.57096265
-1100.41284999
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.61187963 0.40068929 -0.05825307
-170.57093689
-170.57093689
-1100.41285001
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.20755373 -0.90441181 0.28869714
-170.57094694
-170.57094694
-1100.41285003
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.03268499 0.22333298 -0.10731865
-170.57096637
-170.57096637
-1100.41285003
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.06537129 -0.10062938 -0.00672923
-170.57097502
-170.57097502
-1100.41285003
BOSampleStepper: end scf iteration
805.30771763
0.00000000
-1309.77028107
127.01801738
-451.32269805
-271.64561531
94.75172937
646.81841729
0.00000000
0.00000000
-1100.41285942
0.00000000
-0.00034345
-1100.41320287
-5.7580098300 -5.1385733600 -0.9592840800
-2.9998155380 7.7383906204 -2.4752437138
-8.7578253680 2.5998172604 -3.4345277938
17.30627311 -2.87077766 4.46147169
0.00008185 -0.00020430 -0.00010987
0.01559856 -0.00094789 -0.00560764
-8.38494639 3.98370113 -1.41711767
-0.00022434 -0.00010218 0.00001429
-0.01055959 0.00372260 0.00243027
-28.33974435 8.42064572 11.90213928
0.00019414 0.00002589 0.00010229
-0.02629478 -0.01721619 -0.00948618
15.90695958 15.25527879 1.75373632
0.00023493 0.00026988 0.00005170
-0.02531952 0.02544876 -0.02373087
-12.87585047 24.58636650 -32.70456560
0.00008473 0.00034696 -0.00005862
-0.02312765 -0.00529162 -0.00476207
12.36916287 11.48959483 2.47370675
0.00001606 -0.00006959 -0.00017983
-0.04853277 -0.02189505 -0.01734203
9.59848266 -22.46448944 8.60050056
0.00031337 0.00039340 -0.00028264
0.01387377 -0.02712195 0.03528886
18.57118474 8.85554382 -17.33556662
0.00018960 -0.00020752 0.00011492
-0.00336203 0.01028887 0.01484840
12.61589873 4.38658318 -40.37650084
0.00000625 -0.00010058 -0.00020383
0.00369932 0.01508750 0.00642860
-8.60808520 6.85718964 2.84586958
-0.00008681 0.00005159 -0.00000838
-0.00935864 0.00188001 -0.03367964
-17.90410153 -26.37945497 23.05193102
0.00014785 0.00038365 0.00012010
-0.04673810 -0.01636706 0.03447119
-4.29000416 15.48271653 -10.80962736
-0.00001761 0.00001523 -0.00017573
-0.00105660 -0.03633827 -0.00783814
-4.71094304 -3.54888079 -9.39750790
0.00039641 0.00014227 0.00028004
-0.00143544 0.07707555 0.03870975
-18.67751503 24.18023941 -6.65437737
0.00014629 -0.00016815 0.00002904
0.03071724 0.00509964 0.00423611
-6.28807473 14.09617359 6.08243512
-0.00000701 0.00009510 -0.00037390
-0.02693217 -0.01527633 0.02421394
13.57328283 38.44582808 9.76901330
0.00003894 0.00008925 0.00017800
-0.01643165 -0.06953573 -0.03505471
15.83512581 0.89642860 13.92600264
0.00019050 0.00035897 -0.00024840
0.04775295 -0.04601931 -0.00854064
31.96605085 -5.46458307 3.12993202
0.00001322 -0.00015266 -0.00012612
-0.01092880 -0.02580969 -0.02119079
-7.54260936 28.43666898 -6.38725531
-0.00027579 -0.00007696 -0.00001136
0.00468757 -0.00976932 -0.00936299
-5.64418634 -0.27812659 -2.94362982
0.00002766 -0.00002062 0.00010381
-0.02372376 -0.00148417 -0.02981248
1.18725790 -1.28788012 24.68953578
0.00010261 -0.00040912 -0.00026893
0.02655351 0.00914997 -0.00033862
1.20412969 7.12433678 -5.95669387
0.00044756 -0.00013841 -0.00025371
0.00175747 0.01446058 0.00415125
-17.45758305 11.50481043 24.99193832
-0.00000202 0.00005392 -0.00002718
0.01646367 -0.00909366 -0.03048939
14.06748739 19.23855074 16.27112376
0.00003166 0.00005083 0.00013399
-0.00782845 -0.02640518 0.00987089
-3.29181460 -3.62071805 -0.27825385
-0.00008827 -0.00002269 -0.00002124
-0.03138616 0.02667000 0.04203073
16.30628761 3.93313248 9.91862402
-0.00002608 0.00016280 -0.00009919
-0.00044074 0.00230109 -0.01539767
5.74323770 13.08410998 -5.83484637
-0.00021247 0.00029286 -0.00009319
-0.00382853 -0.01472391 0.01420434
4.82423973 7.66156109 4.18492225
-0.00000850 0.00015312 -0.00025155
-0.01421187 -0.01340762 0.02720425
9.18519129 5.85918124 1.57500716
0.00025343 -0.00002086 0.00001418
0.00676305 0.00329468 0.03012964
-0.24818300 19.48234688 -6.70304256
0.00009672 -0.00000102 -0.00008209
-0.00481244 0.02882232 0.02084109
-1.39217467 1.04953205 12.36123830
0.00001457 -0.00012076 -0.00046406
-0.01952810 -0.01770892 0.01698482
-19.66533889 -7.67860648 22.86164952
-0.00005308 0.00009078 0.00020923
0.01766094 -0.00025924 0.01740533
3.47409981 12.53201189 13.02649108
-0.00002549 -0.00022721 0.00004391
0.03376626 0.00585236 0.02964610
-5.00196257 13.17276664 -1.87840590
-0.00052421 -0.00013685 0.00016057
0.04211553 0.04919377 0.01127703
8.64254625 6.84566180 7.68239605
-0.00022631 -0.00030258 -0.00005924
0.00197595 0.00980671 -0.03461684
10.97356651 0.94514400 23.40847501
-0.00033353 0.00016202 0.00010844
0.00166539 0.00184658 0.00745343
25.83978011 3.23619054 -1.04193329
0.00008534 0.00011526 -0.00012308
0.03232841 -0.03573452 -0.01688281
-11.95650067 -4.37915802 -11.48266260
0.00016091 -0.00010227 -0.00004760
-0.01328016 -0.01313738 -0.00299180
15.20141680 -11.28470733 -9.68684095
0.00022186 0.00009856 0.00016728
0.01518531 -0.00164747 0.01350223
-0.29300627 -37.99458829 12.83220032
-0.00024318 0.00008979 0.00017547
0.02602952 -0.00155257 -0.01278839
-24.08610422 11.18195138 4.06041562
-0.00009888 -0.00007046 -0.00001682
0.01111014 0.02056787 0.00584498
-26.05742447 3.60931884 5.47056627
-0.00023904 0.00009105 0.00028923
-0.04178733 0.01532480 0.00144176
6.22061876 -7.30920083 30.19046496
-0.00006268 0.00001957 0.00002846
-0.00606005 -0.04998435 0.03707648
-0.02059415 2.46017300 -4.97711301
0.00028462 0.00006629 0.00002676
-0.05681613 -0.01357508 -0.01739325
-13.66741016 -7.63430311 -5.33680973
-0.00009956 -0.00025681 0.00047142
0.02729760 0.00461337 0.01515522
2.77007266 -1.96638633 12.76698765
-0.00003883 -0.00017010 0.00001785
0.00064965 -0.00041864 0.01754316
-17.09820303 18.98122667 10.72015708
-0.00003575 0.00003365 -0.00011947
0.00899646 -0.00395089 -0.00345935
-1.92816144 17.57786178 6.82015984
0.00001065 -0.00007481 0.00008925
0.00679453 0.00019461 -0.00154451
5.70583510 8.66507587 -4.24106209
0.00021363 0.00020339 -0.00006294
0.01089779 -0.01717077 -0.00470710
-11.29140224 -1.66964634 -18.49096634
-0.00024317 -0.00005111 0.00014360
-0.00459366 0.00647468 -0.03115411
0.11172730 -0.97625922 -17.71081950
0.00026683 -0.00005504 0.00017642
0.00168528 0.06023116 0.00716342
7.18929768 8.88365951 -11.44923960
-0.00000578 0.00017095 -0.00003251
0.01900491 -0.00740847 -0.02355212
1.19467726 29.40118541 -15.73802926
0.00010867 0.00020266 -0.00012363
-0.01340919 -0.00171390 0.05409925
-10.31747925 -4.53352272 -0.36915313
0.00019003 0.00011073 -0.00014670
0.01050962 0.01480850 -0.02554084
-3.94602757 -15.91200578 -27.46779391
0.00028338 0.00000168 -0.00024445
-0.03040481 0.00071046 -0.03812309
-14.10822730 -2.03278674 18.90430679
-0.00000720 -0.00007879 0.00014023
0.01211682 0.00067594 -0.00113595
-8.79849842 14.03410763 -5.23604423
-0.00006606 0.00003899 0.00003481
-0.02265307 0.02501121 -0.02358088
22.18114581 6.72469867 0.70886163
0.00001685 -0.00021791 -0.00013488
0.01944306 0.00214648 0.02106430
-22.76472597 -7.04229634 11.34662855
-0.00032887 -0.00010554 0.00006971
0.00822585 0.03047762 -0.00872421
1.88428560 -8.03232348 27.56419019
-0.00024378 0.00013273 -0.00037695
-0.00297388 -0.00506930 0.00910352
-0.65644322 -7.01227719 -2.78473113
0.00008362 -0.00030661 0.00011366
-0.01916490 -0.01363677 0.00896450
-10.76191469 7.45945145 13.42285714
-0.00015271 0.00011465 0.00008582
-0.04609729 0.03263469 0.00320530
9.77657512 11.82364386 6.98566809
-0.00022035 -0.00039907 0.00027120
0.00907382 -0.00236989 0.02722171
7.57998072 5.17803915 -7.72220306
-0.00026227 0.00012820 0.00006808
-0.01322768 0.01352214 0.00697042
17.98684243 -3.14640120 6.14086959
0.00027086 0.00070975 -0.00002436
-0.00148346 -0.00197596 -0.00560658
15.52203890 -2.55417541 4.64096828
0.00033061 -0.00081325 -0.00086781
-0.01443531 0.00433115 0.00767251
-8.21620657 4.86703448 -3.05708045
0.00021921 -0.00004224 -0.00040961
-0.00175321 -0.00562180 0.00451521
-7.31773113 2.50356955 -1.69300216
-0.00036700 -0.00063318 -0.00109617
0.00750537 -0.00515701 0.00007389
-28.76135050 8.35903657 10.10428920
0.00033956 -0.00008475 0.00041528
0.00498153 0.00788933 -0.00544014
-29.66161754 9.45573164 12.67499473
0.00033124 0.00020073 0.00013150
0.00110924 0.00585367 0.00272389
16.39734696 15.05599512 3.55839086
-0.00068523 0.00060110 -0.00026019
0.00057752 0.00373457 0.00226260
15.17936811 16.97307469 1.31016041
-0.00032639 -0.00024067 0.00080017
0.00816260 -0.02787786 0.01060209
-11.08597259 24.32370528 -32.93623062
-0.00005975 0.00030426 0.00015963
0.01587057 0.00227375 -0.00169906
-13.61426667 24.57240245 -34.41859407
-0.00050758 -0.00076322 0.00017442
0.00810720 0.00150249 0.00666176
10.59735017 11.32454878 1.66650904
0.00092483 -0.00074898 -0.00004090
0.04416539 0.00876211 0.01669241
13.24822001 12.96901431 1.81013652
0.00054904 -0.00093376 -0.00000797
0.00500456 0.00832463 -0.00411120
10.09637384 -21.05721831 7.61973093
-0.00005849 -0.00093943 -0.00040718
0.00278397 0.02789350 -0.01992781
8.05125501 -23.18320230 8.09321978
0.00035758 0.00132142 0.00051100
-0.02415138 -0.00245330 -0.01023255
17.66147238 7.97859330 -18.65786860
0.00099108 0.00003913 0.00065352
-0.01058801 -0.00030264 -0.00770330
18.02495567 10.64543101 -17.43441432
-0.00010571 0.00011600 0.00007392
-0.00052932 -0.00911791 -0.00123002
11.50341675 5.63653348 -39.47331504
-0.00004291 0.00027611 0.00030349
0.00378513 -0.00922442 -0.01440908
13.09823438 5.27016974 -41.97918917
-0.00010861 -0.00070090 0.00025253
0.00436728 0.00040877 0.00615324
-9.60003728 8.45758876 2.37923329
0.00084854 0.00048255 -0.00067626
0.01682374 -0.02450392 0.00643538
-8.53568180 5.71208457 1.23450205
-0.00055222 -0.00019537 0.00006282
0.00092000 0.02735272 0.02605776
-17.54419760 -24.93094232 22.10498648
0.00060689 0.00005671 0.00032357
0.01464139 0.02264091 -0.02219316
-19.74577451 -25.83959725 23.81509951
-0.00023139 0.00000298 -0.00037892
0.03232690 -0.00722470 -0.00534549
-5.24270581 13.75566055 -10.90874900
0.00040093 0.00046651 -0.00049739
0.03369766 0.04242836 0.00796709
-2.36979326 15.44197192 -10.81161663
-0.00017422 -0.00015348 0.00083175
-0.02930211 -0.01057324 -0.00683656
-3.36690548 -3.55536328 -8.08225291
-0.00008386 0.00095997 -0.00021606
-0.00225958 -0.01391650 -0.01209058
-4.83835610 -5.11759619 -10.25946495
0.00017258 -0.00008506 0.00050341
0.00513111 -0.04254769 -0.01248740
-18.92578661 23.44147263 -8.29131227
0.00037783 0.00071415 0.00025352
0.00524723 -0.01696966 -0.01882550
-20.35130004 24.72420657 -6.41566543
-0.00005025 0.00094534 0.00061937
-0.03554874 0.01521212 0.01990895
-4.91731083 15.14888669 6.58146332
0.00029541 -0.00017589 0.00008884
0.02917634 0.01462087 0.00424740
-7.60404203 14.61177085 7.37372102
0.00037143 -0.00013909 0.00042533
0.00609583 -0.01049223 -0.01020723
11.93076510 37.49887023 9.16714595
0.00001060 -0.00120585 -0.00035602
0.03528908 0.02659171 0.01025376
13.18498804 40.06949257 10.35967457
0.00069911 -0.00057197 0.00024896
-0.02207544 0.04018086 0.01000654
17.15327291 -0.66307900 13.80299714
-0.00111663 0.00004956 -0.00046517
-0.03979980 0.03724590 0.00402427
16.05575552 1.74104258 12.23431091
-0.00016505 -0.00112033 0.00009878
-0.00574947 0.00457121 0.00515081
31.01138603 -4.78687812 1.71284272
-0.00029350 -0.00011008 0.00063062
-0.00598905 0.00716545 -0.00383449
33.23957241 -4.25193771 3.38345934
-0.00045456 0.00018608 0.00025447
0.02848553 0.02515277 0.01502627
-8.87053536 29.30383055 -7.30704309
-0.00042487 0.00015179 0.00005537
-0.00632212 0.00571748 -0.01095389
-7.14650321 26.91668761 -7.45280692
0.00043892 -0.00028120 0.00055497
-0.00804552 0.00911656 0.00652769
-4.96254171 -1.68179938 -1.89924685
0.00007197 0.00034977 0.00038151
0.00286810 -0.00307630 -0.00933532
-6.78602573 -1.04171326 -4.27907588
0.00014089 -0.00003832 0.00025123
0.02486760 0.01247282 0.02910468
-0.02858445 -2.48914131 24.11185493
0.00018226 -0.00118642 -0.00036457
-0.01996566 -0.00907816 -0.01132074
0.68992781 -0.99973823 26.55777609
-0.00040703 0.00126180 -0.00057238
0.00661657 -0.00534150 -0.00187027
1.23710650 5.27819490 -5.76522880
0.00002586 -0.00109815 0.00040007
-0.00731852 -0.00456349 -0.00172592
-0.33966606 7.54620890 -4.97950055
-0.00023939 0.00015523 0.00067045
0.00322652 -0.00223305 -0.00578248
-17.73975326 13.28074065 24.78997502
-0.00054678 -0.00072761 -0.00014552
-0.00267986 0.01397800 -0.00105579
-17.31500400 10.97557142 23.19656340
-0.00069889 -0.00034406 -0.00007462
-0.00502586 -0.00086297 0.01750237
15.63186778 19.96615211 15.70315953
-0.00014068 -0.00042586 -0.00117331
0.01655116 0.00266321 -0.01025498
14.46305096 17.39709811 16.28563506
0.00009651 0.00028704 0.00051033
-0.00046113 0.01536510 0.00872254
-2.98939615 -5.37808998 -0.45855262
-0.00009324 0.00072238 -0.00041207
0.00602943 -0.02102816 -0.01073001
-4.40565391 -3.42757525 1.26203728
-0.00028950 0.00010136 -0.00001196
0.01539019 -0.00443219 -0.01041696
15.01872572 4.43883703 8.54534483
0.00008225 0.00055742 0.00031835
0.01105525 -0.01007677 0.01789648
16.88837211 5.43337073 10.81908950
0.00056361 0.00056228 -0.00013753
-0.00656000 -0.00415862 -0.00131994
6.00056738 11.08944163 -5.49213399
-0.00020223 -0.00067763 0.00078464
-0.01213552 0.02987777 0.00604147
4.70151030 13.68622747 -4.38895569
0.00010335 -0.00060911 0.00124152
0.01194451 -0.00796050 -0.01471349
5.83109032 6.60924605 3.10663661
-0.00031160 0.00044094 0.00022149
0.00746092 -0.01171319 -0.00770298
5.09192470 9.31356068 3.49094919
-0.00041934 0.00007593 0.00040376
-0.00095431 0.01797398 -0.00820575
10.06449589 4.26102589 1.59849573
0.00038408 -0.00023687 -0.00054876
-0.00187015 -0.00781574 -0.00089475
8.75340892 6.04183238 -0.13409188
0.00026243 -0.00070027 -0.00118026
-0.00806058 0.00272791 -0.02962381
0.86813481 19.84048800 -8.12753838
-0.00065178 0.00055368 -0.00034292
0.00557787 0.00002635 -0.00695130
0.11475229 20.94475584 -5.52720987
-0.00040791 -0.00010854 0.00042236
-0.00720429 -0.02492574 -0.01813166
-2.50302387 -0.20699752 13.25539212
-0.00101587 -0.00042631 -0.00011956
0.02052797 0.01390924 -0.01451027
-2.65760786 1.99747892 11.44256693
0.00043805 -0.00059832 0.00103265
0.00336862 0.00530483 -0.00613777
-18.96836705 -5.95347530 22.74033680
0.00010330 0.00117178 -0.00068679
0.00147067 -0.00067168 -0.00977718
-20.00308066 -7.81053930 24.73575640
-0.00041777 0.00093202 0.00003848
-0.01500811 0.00081751 -0.01147561
4.12116211 12.78676489 14.87045576
0.00046160 0.00069793 0.00087334
-0.01076742 -0.00220195 -0.03269269
2.36926288 11.06710587 13.07768947
-0.00044804 0.00040080 0.00015031
-0.01509059 -0.00196884 -0.00363066
-3.38951366 14.38062061 -1.71026172
-0.00029292 0.00035035 0.00101520
-0.04032924 -0.04065073 -0.02157544
-6.00117770 13.98903449 -0.47272192
-0.00057466 -0.00013838 0.00023651
0.00109942 -0.01269618 -0.00221728
7.59670858 7.40958651 6.20517793
-0.00047001 0.00009267 0.00057938
0.00207506 -0.00948737 0.01319793
7.69907084 7.29261229 9.14665409
0.00021371 -0.00015687 -0.00050461
-0.01410263 0.00844331 0.02585689
12.57722815 1.80411842 23.11107321
-0.00015463 -0.00121283 0.00051753
0.00050298 0.00685736 -0.00357387
10.76191866 0.03301121 21.84075463
0.00024164 0.00068162 0.00014672
-0.00762204 -0.00991527 -0.00478035
25.61405799 1.65611488 -0.09182255
-0.00042972 0.00082537 0.00008496
-0.00047690 -0.00039828 0.00079738
24.93983685 4.42731932 -0.11406168
-0.00061430 0.00026884 -0.00126244
-0.02460600 0.03817741 0.02479432
-11.95581813 -2.58950757 -11.77952433
-0.00007443 0.00002666 0.00060095
-0.00059865 0.00679215 -0.00348286
-11.16913703 -4.55967539 -9.80842510
-0.00052622 -0.00038142 -0.00078485
0.00101169 0.00762463 0.00006787
15.17564651 -10.31650003 -7.98861839
-0.00029354 -0.00039246 -0.00021035
-0.00576427 -0.01673793 -0.01546474
14.48606548 -10.19293940 -10.99370170
0.00002139 -0.00037367 -0.00003752
-0.00286108 0.00592941 -0.00527715
0.14152692 -38.67424403 14.49213366
0.00080233 0.00005452 -0.00042557
-0.01124120 -0.00752561 -0.00104608
-2.07750824 -38.24272446 12.29568654
0.00004214 -0.00028738 0.00060758
0.00808338 0.00152987 0.01734567
-23.67972622 10.16644335 2.65299833
-0.00016121 0.00055873 -0.00019421
0.00881884 -0.01303501 -0.02748789
-25.19041991 10.06276044 4.94664039
-0.00023870 -0.00111492 0.00044154
-0.01819987 -0.00682008 0.01748113
-27.97372144 3.89133452 5.58657111
-0.00045101 0.00077728 0.00016832
0.04673591 -0.00831868 0.00283232
-25.26092009 4.81161441 6.69442053
0.00047471 0.00033831 0.00010302
-0.00012013 -0.00627574 -0.01206920
7.00240424 -6.56679031 28.71314392
-0.00024290 0.00050431 0.00028340
0.01534632 0.01564131 -0.01674085
6.97166463 -9.05661012 30.25251091
0.00086567 0.00008016 -0.00025902
-0.00629331 0.02051534 0.00234787
-1.96438957 2.44750163 -5.24423092
0.00006159 -0.00025595 -0.00022144
0.05256317 -0.00036987 0.00813411
0.28696092 2.56198438 -3.11581028
-0.00110021 -0.00006187 0.00008903
0.00713554 0.00329606 -0.00446238
-14.18165634 -6.00724327 -5.95554952
-0.00038391 -0.00037812 -0.00102272
-0.00782284 0.00331959 0.00255274
-15.06994331 -8.81184128 -5.49935588
0.00001764 -0.00000674 0.00012939
-0.01369445 -0.00304162 -0.00439290
1.64706021 -0.60880382 12.20264486
-0.00045166 -0.00106207 -0.00131311
0.00668805 -0.00243552 -0.01208873
4.24080650 -2.50703760 11.69360350
0.00075510 -0.00030047 -0.00040567
-0.01165741 0.00249427 -0.00338341
-15.82434244 18.73316470 12.01277034
0.00018375 -0.00009850 0.00090611
0.00493080 -0.00108843 -0.00598864
-16.85646702 17.62043123 9.38606224
-0.00102112 0.00037310 -0.00003264
-0.00509893 0.01581701 0.00605939
-0.88460262 17.43826812 8.35818278
-0.00024142 -0.00042082 0.00028427
-0.00529482 -0.01038583 -0.00566408
-0.80159401 16.96580728 5.43703848
0.00044120 0.00029451 -0.00107834
-0.00110108 0.00381061 0.01238541
3.92836385 7.98833239 -4.51601509
-0.00026264 -0.00048973 0.00011478
0.01340402 0.00252458 -0.00670124
6.94248821 7.38860035 -4.91902495
0.00027170 0.00061761 0.00015132
-0.02280832 0.01151789 0.00276108
-11.24041680 -0.70863418 -20.15068370
0.00005224 0.00067040 0.00016832
-0.00879945 -0.01328191 0.02815328
-12.16958530 -0.59387499 -17.23514600
0.00057747 -0.00088439 0.00005616
0.00786961 -0.00454225 -0.00547177
-0.96183223 0.59898430 -17.39536573
0.00058870 0.00124036 0.00033294
0.01440721 -0.02072085 -0.00700606
-0.90885943 -2.36071764 -17.28195101
-0.00043040 0.00013127 0.00025653
-0.02190597 -0.03436331 0.00991271
7.21202043 7.95393783 -9.90414943
-0.00055869 -0.00028520 -0.00017858
-0.01517418 -0.00772659 0.01653267
6.13410070 10.36105302 -11.36541549
0.00006526 0.00066110 0.00098185
-0.01328954 0.01182705 0.01034362
2.35178314 30.46057415 -16.64725370
-0.00071087 -0.00034266 -0.00037835
0.00909993 0.00662148 -0.00968253
1.11841986 30.09382482 -13.92857434
-0.00027212 -0.00013702 0.00065681
0.00266288 -0.00974003 -0.03773669
-12.01036848 -5.05701097 -0.80480811
0.00010623 0.00074962 0.00055724
-0.00629981 -0.00449571 0.00345448
-9.75167029 -3.86154345 -2.00868245
0.00043721 -0.00045690 -0.00102519
0.00011603 -0.00369175 0.01322315
-5.13726422 -16.59698470 -28.94218792
-0.00028826 -0.00034233 -0.00016768
0.02727025 0.00532675 0.04003627
-4.31446303 -14.09735706 -27.62837175
-0.00009501 0.00005300 0.00046215
0.00523508 -0.00594782 0.01265292
-12.78096814 -2.03883375 17.64585110
-0.00030170 -0.00009800 -0.00027081
0.00533945 -0.00178930 -0.00253963
-15.07860410 -0.58783272 18.35956537
0.00016142 -0.00025291 0.00025971
-0.01112227 0.00231428 -0.00436392
-10.27843782 15.04793403 -4.72021942
-0.00095699 -0.00004302 0.00067376
0.00035106 -0.01374441 -0.00033801
-7.61332861 13.80083212 -3.90416324
-0.00048542 0.00000412 -0.00032828
0.02687193 0.00056291 0.02302325
20.77245868 6.55441065 -0.37537622
0.00037156 -0.00061505 -0.00001228
-0.02193355 0.00323284 -0.02186820
21.73262633 5.70813703 2.18675509
0.00070673 -0.00084141 0.00015620
0.00073085 0.00108278 0.00219065
-21.36810357 -8.19310202 11.73753517
-0.00011463 0.00031361 -0.00028528
-0.00078412 -0.01297208 0.00340878
-21.90983448 -5.36937267 11.25962317
-0.00074186 0.00015706 -0.00010804
-0.00933915 -0.01335898 0.00731304
3.12575464 -7.89325788 29.00771003
-0.00103136 -0.00006013 0.00001364
-0.01250860 -0.00845287 -0.01444693
0.72138013 -9.57674415 27.65228398
-0.00011702 0.00058049 -0.00011721
0.02299607 0.00739811 0.00650349
0.93035485 -7.53546445 -2.05879851
0.00077569 0.00037167 -0.00020485
0.01582331 -0.00158036 0.00747509
-0.33223938 -6.54328317 -4.51394845
0.00059833 -0.00014246 -0.00029047
-0.00083373 0.00509862 -0.00822666
-10.31442185 9.33930959 13.22099612
0.00116436 -0.00017746 0.00071036
-0.00481972 -0.03305828 0.01081691
-12.74217981 7.55828818 13.51883457
-0.00030458 -0.00042753 -0.00053713
0.06086264 -0.00093739 -0.00654160
9.93094353 10.04228004 7.69287506
0.00041229 0.00027438 0.00046666
-0.00335363 0.02430334 -0.01960993
10.75908294 11.98958489 5.43030071
0.00086327 -0.00009552 0.00019955
0.00470366 -0.01020313 -0.00058780
6.47656783 3.79298502 -7.22942281
-0.00044199 0.00014182 0.00052299
-0.01530203 -0.00527719 0.00189414
8.98118319 4.18325617 -8.21718448
0.00027577 -0.00066436 0.00037863
0.03233424 -0.01525229 -0.00980443
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
852.648159 0.969817 0.996416
0.997083 838.103793 6.812645
0.928125 6.776828 829.204722
839.985558
50.164727
[qbox] End of command stream
1130.936
2019-07-03T08:38:12Z