a40bdf54-9d16-11e9-a443-002590a1b1d6
============================
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
c32.local
2019-07-02T22:13:37Z
c32.local
c32.local
c32.local
c32.local
c32.local
c32.local
c32.local
c32.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
c28.local
c28.local
c28.local
c28.local
c28.local
c28.local
c28.local
c28.local
c22.local
c22.local
c22.local
c22.local
c22.local
c22.local
c22.local
c22.local
[qbox] set nrowmax 32
[qbox] load ../../atomset/s0014/md040.xml
LoadCmd: loading from ../../atomset/s0014/md040.xml
XMLGFPreprocessor: reading from ../../atomset/s0014/md040.xml size: 33839
XMLGFPreprocessor: read time: 0.02231
XMLGFPreprocessor: local read rate: 0.02257 MB/s aggregate read rate: 1.447 MB/s
XMLGFPreprocessor: tag fixing time: 4.506e-05
XMLGFPreprocessor: segment definition time: 0.06339
XMLGFPreprocessor: boundary adjustment time: 5.007e-06
XMLGFPreprocessor: transcoding time: 9.537e-07
XMLGFPreprocessor: data redistribution time: 0.886
XMLGFPreprocessor: XML compacting time: 0.0005691
XMLGFPreprocessor: total time: 0.9746
xmlcontent.size(): 33839
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: 1.033 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
-13.25323806
-76.44567160
-84.10715313
-157.37958429
-223.03363927
-269.94805762
-307.77413222
-344.12962973
-377.91997909
-406.51223456
-1214.28060194
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-270.95736691
-277.00767088
-285.08714923
-288.54334156
-292.42682260
-295.08863621
-297.31419785
-299.01148134
-300.35072344
-301.32042557
-1147.44629542
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.90773988
-83.62836086
-97.13046651
-114.90113930
-118.83792491
-122.66072613
-123.71851267
-1126.20982369
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.31650157 0.12223205
-188.31491184
-192.54815380
-199.01871141
-200.63130526
-202.06516564
-202.56820254
-1102.22783425
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.24545436 -0.73547726 0.11214553
-176.87274499
-177.14251773
-177.49708929
-177.56658095
-1099.85313593
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.00182486 0.01270050 -0.02243647
-172.40785298
-172.43230677
-1099.85325952
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.66832488 -0.00632588 -0.01815986
-169.68626556
-169.69990078
-169.72688615
-169.74565444
-169.75147229
-1100.05209261
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.65921750 0.60270421 0.02394259
-173.25961723
-173.26840124
-1100.01409986
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.21967482 -0.77908638 -0.04326283
-174.55899032
-174.56615583
-1100.06096714
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.35703477 0.39758620 -0.38859605
-173.02314387
-173.02426518
-1100.05787082
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.79865675 -0.16667249 0.30599978
-170.72557167
-170.72816106
-1100.03726955
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.56981708 0.47566997 -0.25829464
-170.67844740
-170.67912367
-1100.04449190
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.97046658 0.00451009 0.16278208
-171.34363881
-171.34409580
-1100.04624714
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.57478494 0.26553898 -0.23361391
-171.20896981
-171.20929040
-1100.04855130
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.90943969 -0.24806387 0.32236900
-171.07207187
-171.07237418
-1100.05120727
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.39287088 0.48090518 -0.19731581
-171.24360835
-171.24387010
-1100.05323671
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.22072418 -0.79479848 0.42300258
-171.28974527
-171.28999284
-171.29011914
-1100.05542662
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.94268445 0.26309840 -0.01850339
-171.28101476
-171.28126212
-1100.05635572
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.85997749 -0.14124256 -0.05387040
-171.29218725
-171.29243857
-171.29249818
-1100.05741246
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.61418116 0.07798658 0.19146897
-171.29815890
-171.29841705
-171.29868110
-171.29895228
-171.29923169
-171.29952040
-171.29981949
-171.30013005
-171.30045323
-171.30079024
-1100.06317440
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.89756532 -0.03579747 -0.02131691
-171.30172238
-171.30209016
-171.30247567
-171.30288047
-171.30330618
-171.30375452
-171.30422729
-171.30472642
-171.30525396
-171.30581208
-1100.07204986
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.69261023 0.63057778 0.02317696
-171.30761564
-171.30824464
-171.30891147
-171.30961899
-171.31037016
-171.31116807
-171.31201597
-171.31291727
-171.31387557
-171.31489463
-1100.08782228
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.16423009 0.60056630 0.63469115
-171.31735374
-171.31850651
-171.31973220
-171.32103539
-171.32242070
-171.32389283
-171.32545662
-171.32711699
-171.32887891
-171.33074739
-1100.11676662
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.05638619 0.39440924 0.81482834
-171.34410935
-171.34620732
-171.34842635
-171.35077135
-171.35324679
-171.35585675
-171.35860488
-171.36149432
-171.36452758
-171.36770646
-1100.16788582
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.07552021 0.39179367 0.83050934
-171.37890519
-171.38237672
-171.38599320
-171.38975289
-171.39365244
-171.39768703
-171.40185034
-171.40613454
-171.41053024
-171.41502645
-1100.24663175
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.07881057 0.39864080 0.84667149
-171.42198589
-171.42664506
-171.43136198
-171.43612085
-171.44090433
-171.44569414
-171.45047141
-171.45415533
-171.46605059
-171.49216543
-1100.39596296
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.01325490 0.35311100 0.82593221
-171.51545321
-171.51650835
-171.51921892
-171.52364562
-171.52640313
-171.52645920
-1100.49387824
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.18243516 0.43057847 0.76508970
-171.40694029
-171.40697166
-1100.49118204
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.19911248 -0.18017366 0.75142753
-171.08725231
-171.08741088
-1100.48542956
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.61550855 -0.70656501 -0.03331945
-170.49058408
-170.49115689
-1100.48006879
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.55503826 -0.00980546 0.24058359
-170.41704332
-170.41721641
-1100.48154859
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.78706436 -0.39697211 0.40035838
-170.50419437
-170.50425643
-1100.48185966
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.39600291 0.02819527 -0.07863143
-170.49212457
-170.49215710
-1100.48190305
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.58840698 0.14972866 -0.00601225
-170.46662368
-170.46664108
-1100.48199145
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.76272966 0.00323835 -0.12287255
-170.46829596
-170.46830901
-1100.48202378
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.84425419 -0.26412754 0.28554985
-170.48333511
-170.48334217
-1100.48208671
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.88009879 0.00633263 0.15846825
-170.49441141
-170.49441459
-1100.48212664
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.85336585 0.26768464 -0.02678660
-170.49509193
-170.49509332
-1100.48214390
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77007892 0.08798750 0.03062729
-170.49392958
-170.49393023
-1100.48215145
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.88432734 0.18243277 -0.00226975
-170.49408903
-170.49408936
-1100.48215510
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.89371054 -0.03370539 0.10657460
-170.49469861
-170.49469879
-1100.48215696
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.73770970 0.24641048 -0.05359526
-170.49492710
-170.49492719
-1100.48215795
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.90162333 -0.24282827 0.16838762
-170.49507781
-170.49507786
-1100.48215848
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.92764469 0.10645252 0.05113918
-170.49513275
-170.49513278
-1100.48215877
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.73239940 -0.46665164 0.29395940
-170.49515513
-170.49515514
-1100.48215894
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.87492933 -0.22910425 0.12067241
-170.49512622
-170.49512623
-1100.48215904
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.68585460 -0.30374043 0.28287412
-170.49504604
-170.49504604
-1100.48215911
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.12658522 -0.83478179 0.41758124
-170.49499523
-170.49499524
-1100.48215915
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.72132258 0.33013200 -0.09153429
-170.49501104
-170.49501104
-1100.48215917
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.71695865 -0.48492534 0.28710519
-170.49504884
-170.49504885
-1100.48215919
BOSampleStepper: end scf iteration
805.44325903
0.00000000
-1310.37222213
126.97048628
-450.85998003
-271.66370235
95.02198585
646.81841729
0.00000000
0.00000000
-1100.48215920
0.00000000
0.00000000
-1100.48215920
-6.72780369 -7.78325570 -11.38103946
0.00001930 0.00022828 -0.00019833
0.01229063 -0.00706612 0.05763674
-6.41671762 -15.96779465 12.44921571
0.00005541 0.00000467 0.00014604
0.01511638 0.00175955 0.00765731
-24.99007265 10.04932164 1.68760674
0.00009310 -0.00021380 0.00013712
-0.01287469 0.00781442 -0.00275068
-17.85325632 6.11100251 28.86575942
-0.00014009 0.00010212 -0.00018350
0.00395419 -0.02856069 -0.01915357
1.83021514 -23.45332031 -0.35234986
0.00003857 0.00008036 -0.00022650
-0.00900492 0.01584110 -0.00250550
13.25533595 -11.55903847 -11.66557491
0.00008715 0.00013731 -0.00014740
0.02124793 0.00490626 0.03673339
20.42239738 -19.56123435 4.31932157
0.00044167 -0.00009733 0.00015490
0.00855409 -0.00368479 -0.03415954
-40.72628722 16.48811140 11.05651283
-0.00000054 0.00020821 0.00005181
-0.01803069 0.01270714 -0.00833074
19.98383533 -23.53088866 7.45251386
-0.00007577 0.00012912 0.00009976
-0.02548247 0.00016691 -0.01887389
-17.10041548 -0.21126739 17.85374461
0.00015818 -0.00034993 -0.00019645
0.00458510 0.00360555 -0.01058739
-1.91904288 13.36531220 14.20386954
-0.00012872 0.00000407 0.00021906
-0.01435756 -0.01485435 -0.02053598
7.23272404 -1.90283331 -10.70179413
0.00000316 0.00007056 0.00030374
0.00256737 -0.01646830 0.02644901
0.52064480 -9.95527325 -14.61961699
-0.00003765 -0.00017449 -0.00034093
-0.01070862 0.03389996 0.00244479
5.18603417 -0.65377146 4.01412669
-0.00000844 -0.00005953 -0.00002486
0.00267344 -0.00420989 0.01599057
-0.61070019 6.40485586 18.59516363
-0.00035872 -0.00004314 0.00044866
0.00899354 0.01186996 0.01167347
1.12749479 15.21239811 -20.11097547
0.00011246 0.00009507 -0.00014300
-0.00999248 -0.02089346 0.00855159
20.60306837 -19.68849918 -1.10026976
-0.00005928 0.00038561 -0.00016217
-0.01674627 -0.02553013 0.03311164
16.44098729 -1.18166067 -24.26567499
0.00008925 0.00001796 -0.00035778
-0.00257508 -0.01068280 0.03103261
-22.96863699 7.04206685 28.86608900
0.00002162 -0.00000539 0.00023057
0.01629749 -0.00049254 0.00817036
-8.36545655 1.26035198 -15.39047602
-0.00019224 0.00000791 0.00008742
0.01137591 0.01426005 -0.04040710
-0.17060406 21.78330813 -13.01549879
0.00003058 0.00007744 -0.00004828
-0.01791899 0.00554587 0.00077395
4.58089330 -5.86326009 -16.91599131
-0.00029753 0.00016192 0.00014321
0.00479672 0.00186956 0.00735197
12.97906467 5.30182791 4.66645295
-0.00009495 -0.00015714 -0.00016289
0.02895413 0.00609393 0.00582869
-2.32871824 -3.34852016 -23.06230158
0.00018158 -0.00012945 -0.00008542
0.00372521 0.00390826 0.01012271
0.85660256 -9.77276728 19.58104673
0.00002964 -0.00003582 0.00000533
-0.00165282 0.02576081 0.00427761
7.64014761 11.79073096 10.98849191
-0.00024783 -0.00015688 0.00011330
-0.00850947 -0.02165670 0.00451072
-2.19032325 -0.01148912 15.07692950
0.00022521 0.00001974 0.00027761
-0.01472599 0.01980832 -0.03442260
18.90571010 9.13952435 -6.73581290
0.00024709 0.00018046 0.00022790
0.02349651 -0.02570119 0.00174715
18.31136860 19.49621078 4.78044766
0.00007138 -0.00002677 0.00032434
0.00412970 0.01290507 -0.02132497
-12.27014540 -12.08769891 4.64765184
0.00005363 0.00013844 0.00025191
-0.01544571 0.01112173 -0.00319663
-7.33710869 -34.87896237 5.46164541
0.00003556 0.00004643 0.00003736
-0.03490002 0.01094169 0.03272902
-12.08556925 -28.96645377 22.35681359
0.00005938 -0.00010453 0.00011497
0.01220602 0.01045947 -0.00554721
-13.37067967 -24.23787957 -1.86668255
-0.00008901 0.00021375 0.00040180
-0.00330801 -0.00602239 -0.02718044
-3.37624509 14.63845835 22.37911084
0.00012938 0.00033050 -0.00005679
-0.00663538 0.04306092 -0.01422455
4.56656049 -12.62833029 2.80172584
-0.00010129 0.00006588 0.00025816
0.04173774 -0.01925651 0.00811060
-7.60003790 2.87660114 -8.89240306
-0.00026672 -0.00003570 0.00002517
0.01461410 -0.02116058 0.01313165
-19.12902280 4.91148288 -10.96731886
-0.00007110 -0.00015529 -0.00002369
0.05011575 0.00456562 -0.01536827
-20.88996725 -14.00902431 -2.01009732
0.00012813 -0.00002582 -0.00010566
-0.00798977 -0.01110418 -0.02042895
-13.57557353 8.07333176 8.49567961
0.00020977 0.00001177 0.00002272
-0.00572802 -0.00891697 -0.02093127
-8.92103096 -12.27002106 18.85398614
-0.00006913 0.00034872 0.00018421
-0.02630635 0.03351196 -0.00787336
15.87882047 2.86875296 19.65964372
-0.00003335 -0.00023739 0.00020242
0.01117328 -0.00847484 -0.00051477
13.36083325 -17.42274330 22.46148497
0.00018303 -0.00010545 -0.00017529
-0.01239656 0.00611082 -0.01020228
8.84628481 15.82512205 4.40102247
0.00014954 0.00018748 -0.00001567
-0.02892038 -0.00852716 0.01731175
3.18512074 19.02008189 -3.11211113
-0.00020974 0.00009095 -0.00014652
0.00758345 -0.01835613 0.02299775
-1.37543971 -27.34816366 -5.81767632
-0.00013055 -0.00001317 -0.00014021
0.01753427 -0.04435098 0.01059079
4.56383321 0.33648129 9.13329886
0.00018576 -0.00003494 -0.00031918
0.01063082 0.01725625 -0.01087751
-12.56761831 8.28467331 -5.97620528
-0.00011029 -0.00003385 -0.00013692
-0.00040276 -0.02744946 -0.01387872
-12.85041198 -8.27420361 -7.41075431
0.00001313 0.00009959 -0.00036083
0.02592729 0.01144959 0.00785150
3.03666507 9.42831050 9.39414922
0.00035266 -0.00020169 0.00000458
-0.01645370 -0.01360588 0.02866332
19.53473623 -8.06049036 7.30578192
0.00044971 0.00008204 -0.00010192
-0.01736946 -0.00769171 -0.01204950
-21.21721703 26.01370817 -7.43834291
-0.00021539 -0.00016818 0.00006571
-0.03397730 -0.02634201 0.04442554
13.76225771 -4.17550335 14.92205676
-0.00018659 0.00005490 0.00000064
0.01147900 -0.02176150 0.00271869
-12.23809114 11.66562001 -0.26209740
-0.00003420 -0.00007194 0.00009810
-0.06400850 0.02641377 0.02403661
12.24529859 19.80697143 -19.00923009
0.00007696 -0.00000866 0.00009787
-0.00002096 -0.00808118 -0.04747917
10.01991057 0.66984450 3.27241668
0.00029633 0.00014945 0.00017363
-0.03150058 -0.03686067 -0.01105870
1.56189431 -29.40371583 13.52722555
-0.00016636 0.00017174 -0.00012292
0.01027982 -0.01268194 0.01604514
-13.95857387 27.81284385 12.17390799
-0.00023606 -0.00009709 -0.00024722
-0.01648807 0.02122957 0.00609151
5.37446087 -7.89189264 0.17631912
-0.00008381 -0.00014581 0.00018663
-0.02355135 -0.00940905 -0.01573200
-17.13813204 9.95445471 -7.72313274
0.00009759 -0.00000321 0.00015198
-0.00891145 -0.01339806 -0.00633642
16.62217605 9.71781743 24.48655414
-0.00008495 -0.00026223 -0.00021915
0.00213006 0.00319691 -0.00040068
-16.71150568 13.80963276 18.98056411
-0.00000522 -0.00016402 -0.00007151
-0.00305860 0.00600376 0.00983982
16.60410910 -5.16932800 -3.98693390
0.00006025 -0.00011471 -0.00008879
0.02091890 0.00017839 -0.02282801
-10.96969594 0.19142891 -11.44918780
0.00009524 -0.00017056 0.00005053
-0.04187058 -0.00303025 0.05224119
-5.61987014 -16.09559394 -16.85686538
-0.00004508 0.00015994 -0.00015188
0.01188348 -0.03507291 -0.02729084
-5.16727135 -8.41112872 -10.47682973
-0.00027721 -0.00026771 -0.00091698
-0.01796725 0.00968909 -0.00379244
-6.01223031 -7.59618399 -12.97862598
-0.00057010 0.00082295 0.00195452
0.01637078 0.00672026 -0.05155077
-7.98725827 -15.04359036 12.30193317
0.00032547 -0.00106407 0.00043363
-0.00200059 0.01097836 0.00415895
-5.39293444 -15.23106113 13.94605511
-0.00062579 0.00078089 -0.00062302
-0.02334363 -0.00633127 -0.01563393
-24.52919109 9.19141748 3.30137309
-0.00039646 -0.00035788 0.00033864
0.00896575 -0.00108436 -0.02021506
-23.82971442 9.54189419 0.31743243
0.00013390 -0.00023761 0.00021883
0.00273785 0.00024720 0.01714442
-17.18325562 4.53993080 28.03401820
0.00071344 0.00041397 -0.00020653
-0.00800663 0.02669250 0.01558682
-16.61654829 6.59250825 30.13312903
-0.00121386 0.00062359 -0.00008746
0.01144033 -0.00172438 0.00531043
0.60086151 -22.20674233 -1.03243284
-0.00052976 0.00011113 0.00009128
0.01098071 -0.00894911 0.00802809
2.16237083 -24.63038169 -1.71291612
-0.00002794 -0.00078589 -0.00040613
0.00166639 -0.00502939 -0.00464580
14.82312722 -10.53392778 -11.29198329
-0.00045554 -0.00015503 0.00048783
-0.02277281 -0.00622420 -0.02169754
12.94223861 -11.67673530 -13.42634381
-0.00029279 0.00073695 -0.00023449
0.00310341 0.00301713 -0.01723357
19.50602682 -18.28326116 5.31192687
-0.00002754 -0.00069721 0.00118526
-0.01314440 0.00622682 -0.00598083
19.97029304 -19.37842890 2.44512443
-0.00060783 -0.00013615 -0.00005329
0.01227138 -0.00072461 0.03119240
-41.68245843 16.93298867 9.47207925
0.00097869 -0.00023079 0.00017012
0.01286375 -0.00245970 0.00564612
-40.39753736 18.14765447 11.80050609
0.00003917 -0.00018689 -0.00020531
0.00818027 0.00233423 0.00369212
19.27108301 -25.04452788 6.42838760
-0.00020139 -0.00067862 -0.00017101
0.01138529 0.01156818 0.00723681
20.45033508 -22.18449624 6.22304822
-0.00039995 0.00100348 0.00043075
-0.00406911 -0.00651076 -0.00095900
-16.53961143 -0.89312471 16.23010534
0.00071350 0.00025343 -0.00039956
-0.00279274 -0.00627365 0.00244037
-18.07546236 1.23617349 17.18348874
-0.00024641 -0.00064930 0.00006041
-0.00853741 -0.00852939 0.01150725
-0.89341507 13.11163506 12.68021587
0.00030594 0.00003847 0.00025498
-0.00677624 0.00411703 0.00095020
-0.76274953 14.09137830 15.35295256
0.00021005 -0.00063375 0.00074228
0.01717201 0.01357033 0.01882149
6.69877434 -1.35705092 -12.35454928
0.00051467 -0.00016335 0.00017529
-0.00253971 0.01345399 -0.01391288
9.02746075 -1.61211816 -10.48925225
-0.00004389 0.00078906 -0.00012805
0.00293894 0.00293382 -0.01359217
1.58224956 -8.51177392 -14.24359291
-0.00023188 -0.00031665 0.00007866
-0.00439412 0.00163042 -0.00127005
1.55332795 -11.36751288 -14.17733395
-0.00023271 -0.00024829 0.00098718
0.01729634 -0.02894621 0.00222926
4.22360802 -0.43066490 2.48763323
-0.00058692 0.00073848 0.00032056
-0.00372329 0.00345287 -0.01049255
6.98694512 -0.48250203 3.63769307
0.00130929 -0.00024660 -0.00001179
-0.00233530 0.00788176 -0.00576223
0.38101335 5.15961588 17.65840903
0.00009516 0.00040598 0.00005290
0.00621588 -0.00752042 -0.00480190
0.64680880 7.46605538 19.52220265
-0.00005815 0.00059081 -0.00052554
-0.00623602 -0.00760494 -0.00267746
2.16309357 15.03030768 -21.58798015
0.00056319 -0.00011750 -0.00130550
0.01154403 0.00916988 -0.01180439
0.74553729 13.39692690 -19.86724554
-0.00065699 -0.00050957 0.00021177
-0.00170247 0.01362909 0.00568600
19.13683424 -20.35739196 -1.99898274
-0.00000243 -0.00055491 -0.00003901
-0.00449838 -0.00096763 0.00211306
21.46739081 -18.84711416 -2.41407359
-0.00004686 0.00036351 0.00054010
0.01973326 0.02490159 -0.02392308
15.92967362 -2.69353277 -25.21348788
-0.00043297 -0.00058513 0.00028645
0.00614171 -0.00549326 0.00288206
16.35448657 -1.62615444 -22.42870251
0.00090419 0.00034610 0.00025323
-0.00388542 0.00502343 -0.02852379
-24.13812976 5.61738075 28.50742550
0.00003076 0.00061778 0.00085610
0.00588540 0.00006094 -0.00132451
-21.22513046 6.40875980 28.56353739
-0.00034458 0.00105780 0.00001338
-0.01318628 0.00732506 0.00065574
-9.11647422 2.27959737 -16.91820645
0.00041721 0.00045706 -0.00075404
0.03006358 -0.02131263 0.03954244
-6.37960263 1.03497835 -15.51209602
0.00099283 0.00013017 -0.00022771
-0.04145591 0.00419480 -0.00471410
-1.45113147 22.71412956 -14.17857284
0.00034300 0.00074362 0.00015723
0.01363324 -0.02087221 0.01073062
1.29259889 22.87610911 -13.05225658
0.00048128 0.00015457 -0.00025361
0.00796818 -0.00306674 -0.00299927
3.44724189 -6.90355057 -17.91502448
0.00021420 0.00055332 -0.00001993
-0.01272139 -0.00488038 -0.01223731
4.59089621 -4.18095128 -17.65272046
0.00025874 0.00008746 0.00051838
-0.00304285 0.00559991 -0.00224248
13.39584708 5.48956422 2.84648769
0.00029781 -0.00014672 -0.00013969
-0.00382432 0.00051166 0.01067567
14.39352779 6.34265018 5.54095673
-0.00039416 0.00025058 -0.00009140
-0.02827991 -0.02473914 -0.02053617
-3.64901760 -2.32629839 -23.88285166
0.00025608 0.00003030 -0.00014626
0.00340775 -0.00052033 0.00006820
-0.83492593 -2.21002930 -22.91927256
0.00008147 0.00000631 -0.00021433
-0.00909411 -0.00808870 -0.00205025
-0.84697438 -9.29408438 20.32466641
0.00054001 0.00000156 -0.00041534
0.01903665 -0.00378187 0.00234457
2.00871477 -8.28022517 19.72877691
-0.00015941 -0.00002676 0.00001823
-0.01844660 -0.01754515 -0.00396762
7.04709326 11.18091533 12.65636832
0.00047500 -0.00004598 0.00034451
0.00022478 0.00706001 -0.00949599
7.62409739 13.63170893 10.98110353
0.00034122 0.00011440 -0.00051044
-0.00617413 0.00363230 0.00448018
-1.74397564 -0.94580526 13.50816668
0.00024794 -0.00024882 0.00059935
0.00203477 0.00970057 0.00121568
-2.08017396 -1.29186143 16.34453888
-0.00028874 -0.00161165 0.00076588
0.00163881 -0.01520527 0.02124643
20.14287311 7.77698161 -6.07239340
-0.00005282 0.00030236 -0.00020853
-0.01465235 0.02635123 -0.00747257
20.02100303 10.50158977 -7.25204183
-0.00039537 0.00004176 -0.00022856
0.00709836 0.00586537 -0.00429666
18.95058438 17.97777110 5.64142988
0.00000792 -0.00079873 -0.00086922
-0.00128773 -0.01102776 0.00917537
19.49701913 19.61233955 3.29261430
-0.00116006 -0.00065063 -0.00023702
-0.01000212 0.00124350 0.00926215
-13.43061383 -10.60436830 5.01266533
0.00015591 0.00027629 0.00003004
0.01577164 -0.01348364 -0.01179414
-12.03897498 -11.99292354 2.72181539
-0.00021098 0.00021776 -0.00007940
-0.00685438 -0.00080797 0.02133088
-9.27122994 -34.57901161 5.68611285
-0.00018826 0.00052858 0.00055956
0.03383515 -0.01156531 -0.00543013
-7.36752606 -35.46456399 3.75502310
-0.00111394 0.00007012 0.00051778
0.00717549 -0.00997894 -0.03012319
-10.64970130 -29.58791705 21.30863336
-0.00001578 -0.00126282 -0.00066871
-0.01691581 0.01408157 0.01219915
-12.54991875 -27.14882946 21.83930413
0.00014910 0.00005741 -0.00046435
0.00816045 -0.02282302 0.00147416
-14.61337896 -23.62422258 -3.10131889
-0.00001932 -0.00004649 -0.00022515
-0.00126005 -0.00013977 0.00409167
-13.36509174 -23.25572068 -0.36609964
-0.00060902 0.00024116 -0.00091127
-0.00409534 0.01401813 0.02011935
-2.87473237 13.79227774 23.87059278
0.00004801 0.00017377 0.00036071
0.00925385 -0.02030422 0.02214940
-3.13744160 16.44937751 22.87003758
-0.00024183 0.00008486 -0.00082737
-0.00140161 -0.01743368 -0.00506568
6.09434190 -13.65925793 3.26988003
-0.00000670 0.00002637 -0.00096049
-0.02744568 0.00968891 -0.00354804
5.37184501 -11.10785726 2.14051624
0.00059801 0.00082448 0.00048558
-0.00467486 0.00534743 -0.00000145
-7.37477819 4.55379464 -9.60010323
0.00027534 -0.00082872 -0.00067069
0.00454125 0.01921119 -0.00908192
-5.98702280 2.01437460 -9.33901134
0.00014414 0.00060846 0.00032662
-0.01406477 0.00424334 0.00778423
-17.12930616 4.99447643 -11.11381457
-0.00077608 0.00049266 -0.00046455
-0.03669942 -0.00728695 0.00496811
-19.68715200 6.53155917 -11.59416085
0.00048832 -0.00081527 0.00103802
-0.00398513 0.00835557 -0.00828506
-19.54872103 -13.85711571 -0.75070333
-0.00054922 0.00014260 0.00031430
-0.00692483 0.00898588 -0.00201747
-21.25697925 -12.41853660 -2.98073902
-0.00040345 -0.00021730 -0.00058969
0.00704635 -0.00115559 0.01883245
-13.09866402 8.87152659 6.84839759
-0.00000250 -0.00026019 -0.00014363
0.00031314 -0.00578426 0.01205131
-14.36315114 9.44283665 9.45907336
-0.00024727 0.00000189 0.00054627
0.00018796 0.00881413 0.00392108
-7.19828517 -12.30695557 18.34998771
0.00009493 -0.00096847 -0.00012903
0.02642748 -0.01390780 -0.00186725
-9.50095905 -10.69569017 18.00398762
0.00059615 0.00068853 -0.00013932
-0.00142233 -0.01255578 0.01163783
15.38462767 1.15966093 20.15126931
0.00056935 0.00123807 -0.00027565
0.00183816 0.00760968 0.01014098
15.78244394 2.81233939 17.81513569
-0.00098408 0.00051940 0.00031693
0.00353446 0.00648520 -0.00888680
14.25305861 -18.42756218 21.14081714
0.00082361 0.00077868 -0.00010869
-0.00083416 -0.00352012 0.00778407
11.77513759 -16.94661661 21.61712537
-0.00088275 -0.00078314 -0.00044333
0.01139927 0.00148803 0.00682041
7.87126237 16.38218790 5.90476352
0.00043183 -0.00012759 -0.00045061
-0.00183514 -0.00304367 -0.01693721
10.23590481 16.93876469 4.40008023
0.00105540 -0.00050560 0.00040264
0.02757507 0.01737186 0.00030364
4.47106004 20.15686991 -3.72360341
0.00093826 -0.00012818 0.00007267
0.00700653 0.00726495 -0.01540919
4.11084808 18.06907122 -1.72070200
-0.00008037 -0.00002738 0.00077293
-0.01555704 0.00861531 -0.01367444
-0.10300582 -27.84003601 -4.49734891
-0.00029318 -0.00039577 0.00082504
-0.01510697 0.01372320 -0.00955529
-0.46745380 -28.09665813 -7.28576596
0.00070654 0.00027014 -0.00062058
-0.00567751 0.00437259 0.00395119
4.88616059 1.03494128 7.42875864
0.00006394 -0.00057452 -0.00004027
-0.00588580 -0.01374785 0.00783184
4.60661585 1.81729951 10.22213984
-0.00094556 0.00065620 0.00016479
-0.00139829 0.00656524 0.00369898
-11.05968691 9.36006564 -5.87966123
-0.00015026 0.00054770 0.00025568
0.00504234 0.00275845 0.00665666
-12.01778611 6.90480170 -7.13815854
0.00006264 -0.00030089 0.00036629
-0.01185100 0.01696906 0.01358923
-12.79303548 -9.28363633 -8.92944659
-0.00010301 -0.00025473 -0.00002318
0.00357110 -0.00413042 -0.00708834
-11.63337686 -6.84181828 -7.70464643
-0.00039684 -0.00001119 -0.00036490
-0.01547964 -0.00885429 0.00016739
2.01019717 8.56093835 8.15773632
-0.00028336 -0.00077236 0.00047066
-0.00548793 -0.00902747 -0.01490208
4.65285317 9.75532670 8.70791899
-0.00086906 -0.00068385 -0.00060677
0.02100201 0.00563234 -0.00967204
18.47148884 -9.44429835 6.57619471
-0.00040918 0.00032837 -0.00033072
-0.00038242 0.01134219 0.00142063
21.18637693 -8.82327949 7.44394665
0.00019219 -0.00021724 0.00009667
0.01333707 -0.00167533 0.00568265
-22.84390712 25.10986538 -7.94744418
-0.00081603 -0.00009034 0.00003108
0.01938935 0.00841788 0.00249224
-20.59514926 27.07129320 -8.76366374
-0.00044565 -0.00036125 0.00018752
0.00535569 0.00982571 -0.02443863
13.02230431 -2.58852701 14.39178440
0.00004279 -0.00091428 -0.00038084
0.00477126 0.00263718 -0.01503578
14.64468777 -5.01150215 13.47874952
-0.00052058 0.00022461 0.00015112
-0.00725329 0.01351217 0.01176486
-10.98851170 11.19306971 -1.34731489
-0.00069938 0.00021862 -0.00178756
0.05833650 -0.02212457 -0.04055820
-13.21955192 12.87790851 -1.29757349
-0.00068926 0.00050732 0.00022759
0.00464130 -0.01055616 0.01447631
12.38438180 19.36567065 -20.90503191
0.00046929 0.00057217 -0.00036389
-0.00472522 0.00265662 0.03007497
13.97141634 20.26382808 -18.61248351
-0.00015924 0.00087728 -0.00055673
0.00857962 -0.00275685 0.00782578
10.81161751 -0.91684222 3.92432372
-0.00017203 0.00069633 0.00043154
0.00712009 0.01362672 0.00147468
10.90002658 2.13215855 3.72040015
0.00037168 -0.00008409 -0.00031550
0.02414168 0.02829597 0.01715506
3.21637459 -30.07538386 13.00336655
-0.00083326 -0.00119184 -0.00026581
-0.00620741 0.00651786 0.00021551
0.89303156 -28.42400590 12.17141606
0.00075846 -0.00025824 -0.00032141
-0.00313683 0.01517556 -0.01811387
-13.21549012 28.82957970 10.83378713
-0.00063047 0.00036664 -0.00067875
-0.00038682 0.00097502 -0.00593485
-13.33442786 26.10779929 12.03257534
-0.00086478 0.00056118 -0.00077685
0.00821771 -0.01210689 -0.00505836
6.79680940 -7.13904825 0.98538780
0.00088139 -0.00094644 -0.00085365
0.02063688 0.00249256 0.00786645
5.84531518 -8.62510684 -1.49600937
0.00006757 0.00021317 -0.00076284
0.01012004 0.00252481 0.00189408
-15.39889542 9.53502297 -7.23048346
0.00092256 -0.00063731 0.00032604
0.01090137 -0.00216797 0.00487171
-18.03813410 8.43294198 -7.17738756
-0.00036109 -0.00023616 0.00068838
0.00039555 0.00865644 -0.00615031
15.75222951 8.38296278 23.58614670
-0.00011841 -0.00008713 0.00031156
-0.01053452 -0.00396231 -0.00346467
18.32226747 9.71117617 23.80785754
-0.00010167 -0.00071784 0.00026237
0.00661539 0.00196741 0.00685675
-17.48521398 12.50264233 17.89591452
-0.00072290 -0.00127511 -0.00077661
0.00986129 0.00507314 0.00337804
-15.38236353 14.66018888 17.95152052
-0.00108341 -0.00049286 0.00000811
-0.00864446 -0.00762530 0.00393389
18.37029621 -5.77100237 -4.30470094
-0.00121733 -0.00091381 -0.00061601
-0.02159425 0.01036932 0.00801522
16.16492847 -4.42568150 -5.64002022
0.00042288 -0.00017735 0.00100886
-0.00445643 -0.00448848 0.00634989
-10.02095770 1.43283767 -10.41766080
-0.00029125 0.00023849 -0.00041720
0.00792736 -0.00622729 -0.00824236
-10.34994769 0.31991486 -13.12361363
0.00043250 0.00007224 0.00028393
0.02291130 0.00544930 -0.03185391
-5.87552231 -14.40131172 -17.35821569
0.00045407 -0.00060384 -0.00056774
-0.00772026 0.03481019 -0.00776242
-5.95299287 -16.17253819 -15.12899287
0.00089300 0.00099033 -0.00004945
-0.00357072 -0.00017115 0.04611179
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
-170.49507269
-170.49507296
-170.49507315
-170.49507298
-170.49507289
-170.49507274
-170.49507269
-170.49507263
-170.49507262
-170.49507262
-1100.48215577
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.49401007
-170.49401012
-1100.48215119
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.74631095
-170.49382891
-170.49382895
-1100.48215162
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.81628802 0.33829779
-170.49427887
-170.49427888
-1100.48215198
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.87931367 0.14246072 -0.02933171
-170.49459954
-170.49459955
-1100.48215207
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.73926653 0.45991651 -0.06693579
-170.49447742
-170.49447742
-1100.48215209
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.07401837 -0.92519137 0.29065721
-170.49445480
-170.49445480
-1100.48215211
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.05922307 0.23604602 -0.09406612
-170.49451347
-170.49451347
-1100.48215212
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.10398226 -0.10033675 -0.00978970
-170.49452548
-170.49452548
-1100.48215212
BOSampleStepper: end scf iteration
805.44468934
0.00000000
-1310.37265563
126.96872819
-450.85923548
-271.66368144
95.02198585
646.81841729
0.00000000
0.00000000
-1100.48215501
0.00000000
0.00020641
-1100.48194861
-6.6021823100 -9.9411551500 0.5747760400
4.5381322019 -4.3330608163 -1.8531156335
-2.0640501081 9.1857840337 -1.2783395935
-6.72780369 -7.78325570 -11.38103946
0.00001930 0.00022828 -0.00019833
0.01160290 -0.00707657 0.05764088
-6.41671762 -15.96779465 12.44921571
0.00005541 0.00000467 0.00014604
0.01442851 0.00173714 0.00762897
-24.99007265 10.04932164 1.68760674
0.00009310 -0.00021380 0.00013712
-0.01357910 0.00780654 -0.00275920
-17.85325632 6.11100251 28.86575942
-0.00014009 0.00010212 -0.00018350
0.00326390 -0.02857756 -0.01917058
1.83021514 -23.45332031 -0.35234986
0.00003857 0.00008036 -0.00022650
-0.00972180 0.01583269 -0.00249305
13.25533595 -11.55903847 -11.66557491
0.00008715 0.00013731 -0.00014740
0.02055400 0.00490043 0.03671764
20.42239738 -19.56123435 4.31932157
0.00044167 -0.00009733 0.00015490
0.00784429 -0.00370440 -0.03414921
-40.72628722 16.48811140 11.05651283
-0.00000054 0.00020821 0.00005181
-0.01874849 0.01271949 -0.00832426
19.98383533 -23.53088866 7.45251386
-0.00007577 0.00012912 0.00009976
-0.02621985 0.00018151 -0.01890013
-17.10041548 -0.21126739 17.85374461
0.00015818 -0.00034993 -0.00019645
0.00388173 0.00361338 -0.01059514
-1.91904288 13.36531220 14.20386954
-0.00012872 0.00000407 0.00021906
-0.01503156 -0.01485585 -0.02053549
7.23272404 -1.90283331 -10.70179413
0.00000316 0.00007056 0.00030374
0.00188227 -0.01646551 0.02641858
0.52064480 -9.95527325 -14.61961699
-0.00003765 -0.00017449 -0.00034093
-0.01140133 0.03393949 0.00245328
5.18603417 -0.65377146 4.01412669
-0.00000844 -0.00005953 -0.00002486
0.00196786 -0.00421506 0.01597365
-0.61070019 6.40485586 18.59516363
-0.00035872 -0.00004314 0.00044866
0.00828817 0.01186613 0.01168347
1.12749479 15.21239811 -20.11097547
0.00011246 0.00009507 -0.00014300
-0.01069213 -0.02090342 0.00854641
20.60306837 -19.68849918 -1.10026976
-0.00005928 0.00038561 -0.00016217
-0.01745696 -0.02554254 0.03312831
16.44098729 -1.18166067 -24.26567499
0.00008925 0.00001796 -0.00035778
-0.00327033 -0.01067401 0.03102730
-22.96863699 7.04206685 28.86608900
0.00002162 -0.00000539 0.00023057
0.01555792 -0.00052290 0.00812954
-8.36545655 1.26035198 -15.39047602
-0.00019224 0.00000791 0.00008742
0.01063351 0.01426632 -0.04041683
-0.17060406 21.78330813 -13.01549879
0.00003058 0.00007744 -0.00004828
-0.01863895 0.00557608 0.00074603
4.58089330 -5.86326009 -16.91599131
-0.00029753 0.00016192 0.00014321
0.00408955 0.00186252 0.00734296
12.97906467 5.30182791 4.66645295
-0.00009495 -0.00015714 -0.00016289
0.02826617 0.00608750 0.00580209
-2.32871824 -3.34852016 -23.06230158
0.00018158 -0.00012945 -0.00008542
0.00300665 0.00389941 0.01013568
0.85660256 -9.77276728 19.58104673
0.00002964 -0.00003582 0.00000533
-0.00236053 0.02578310 0.00428480
7.64014761 11.79073096 10.98849191
-0.00024783 -0.00015688 0.00011330
-0.00919345 -0.02163814 0.00450406
-2.19032325 -0.01148912 15.07692950
0.00022521 0.00001974 0.00027761
-0.01542326 0.01980012 -0.03442584
18.90571010 9.13952435 -6.73581290
0.00024709 0.00018046 0.00022790
0.02280932 -0.02567825 0.00172081
18.31136860 19.49621078 4.78044766
0.00007138 -0.00002677 0.00032434
0.00345901 0.01290738 -0.02132203
-12.27014540 -12.08769891 4.64765184
0.00005363 0.00013844 0.00025191
-0.01616144 0.01111986 -0.00320275
-7.33710869 -34.87896237 5.46164541
0.00003556 0.00004643 0.00003736
-0.03562213 0.01094298 0.03273040
-12.08556925 -28.96645377 22.35681359
0.00005938 -0.00010453 0.00011497
0.01151735 0.01046843 -0.00555854
-13.37067967 -24.23787957 -1.86668255
-0.00008901 0.00021375 0.00040180
-0.00399515 -0.00601829 -0.02719675
-3.37624509 14.63845835 22.37911084
0.00012938 0.00033050 -0.00005679
-0.00731950 0.04307174 -0.01419853
4.56656049 -12.62833029 2.80172584
-0.00010129 0.00006588 0.00025816
0.04108753 -0.01925593 0.00809438
-7.60003790 2.87660114 -8.89240306
-0.00026672 -0.00003570 0.00002517
0.01393532 -0.02117459 0.01311705
-19.12902280 4.91148288 -10.96731886
-0.00007110 -0.00015529 -0.00002369
0.04939371 0.00455488 -0.01535831
-20.88996725 -14.00902431 -2.01009732
0.00012813 -0.00002582 -0.00010566
-0.00870068 -0.01109673 -0.02044053
-13.57557353 8.07333176 8.49567961
0.00020977 0.00001177 0.00002272
-0.00642409 -0.00891911 -0.02092369
-8.92103096 -12.27002106 18.85398614
-0.00006913 0.00034872 0.00018421
-0.02700335 0.03350402 -0.00787243
15.87882047 2.86875296 19.65964372
-0.00003335 -0.00023739 0.00020242
0.01049094 -0.00845585 -0.00051333
13.36083325 -17.42274330 22.46148497
0.00018303 -0.00010545 -0.00017529
-0.01307213 0.00610955 -0.01018357
8.84628481 15.82512205 4.40102247
0.00014954 0.00018748 -0.00001567
-0.02962039 -0.00850021 0.01730780
3.18512074 19.02008189 -3.11211113
-0.00020974 0.00009095 -0.00014652
0.00690127 -0.01834572 0.02298603
-1.37543971 -27.34816366 -5.81767632
-0.00013055 -0.00001317 -0.00014021
0.01684873 -0.04434245 0.01059549
4.56383321 0.33648129 9.13329886
0.00018576 -0.00003494 -0.00031918
0.00993631 0.01725772 -0.01087921
-12.56761831 8.28467331 -5.97620528
-0.00011029 -0.00003385 -0.00013692
-0.00110906 -0.02745879 -0.01390640
-12.85041198 -8.27420361 -7.41075431
0.00001313 0.00009959 -0.00036083
0.02521600 0.01144160 0.00785965
3.03666507 9.42831050 9.39414922
0.00035266 -0.00020169 0.00000458
-0.01715229 -0.01358625 0.02863233
19.53473623 -8.06049036 7.30578192
0.00044971 0.00008204 -0.00010192
-0.01808174 -0.00769896 -0.01206819
-21.21721703 26.01370817 -7.43834291
-0.00021539 -0.00016818 0.00006571
-0.03471950 -0.02636618 0.04446371
13.76225771 -4.17550335 14.92205676
-0.00018659 0.00005490 0.00000064
0.01079639 -0.02176507 0.00272163
-12.23809114 11.66562001 -0.26209740
-0.00003420 -0.00007194 0.00009810
-0.06467691 0.02642318 0.02404565
12.24529859 19.80697143 -19.00923009
0.00007696 -0.00000866 0.00009787
-0.00070014 -0.00807881 -0.04750350
10.01991057 0.66984450 3.27241668
0.00029633 0.00014945 0.00017363
-0.03218806 -0.03686380 -0.01106161
1.56189431 -29.40371583 13.52722555
-0.00016636 0.00017174 -0.00012292
0.00957263 -0.01266394 0.01605932
-13.95857387 27.81284385 12.17390799
-0.00023606 -0.00009709 -0.00024722
-0.01718727 0.02125936 0.00607893
5.37446087 -7.89189264 0.17631912
-0.00008381 -0.00014581 0.00018663
-0.02423093 -0.00939712 -0.01573472
-17.13813204 9.95445471 -7.72313274
0.00009759 -0.00000321 0.00015198
-0.00961755 -0.01338643 -0.00634123
16.62217605 9.71781743 24.48655414
-0.00008495 -0.00026223 -0.00021915
0.00143485 0.00318826 -0.00041163
-16.71150568 13.80963276 18.98056411
-0.00000522 -0.00016402 -0.00007151
-0.00377154 0.00600389 0.00986713
16.60410910 -5.16932800 -3.98693390
0.00006025 -0.00011471 -0.00008879
0.02024039 0.00018971 -0.02284482
-10.96969594 0.19142891 -11.44918780
0.00009524 -0.00017056 0.00005053
-0.04258456 -0.00303208 0.05223396
-5.61987014 -16.09559394 -16.85686538
-0.00004508 0.00015994 -0.00015188
0.01119556 -0.03505768 -0.02729877
-5.16727135 -8.41112872 -10.47682973
-0.00027721 -0.00026771 -0.00091698
-0.01800413 0.00967888 -0.00377207
-6.01223031 -7.59618399 -12.97862598
-0.00057010 0.00082295 0.00195452
0.01630682 0.00672248 -0.05156984
-7.98725827 -15.04359036 12.30193317
0.00032547 -0.00106407 0.00043363
-0.00206129 0.01096724 0.00416416
-5.39293444 -15.23106113 13.94605511
-0.00062579 0.00078089 -0.00062302
-0.02339184 -0.00631191 -0.01558300
-24.52919109 9.19141748 3.30137309
-0.00039646 -0.00035788 0.00033864
0.00890604 -0.00109471 -0.02019472
-23.82971442 9.54189419 0.31743243
0.00013390 -0.00023761 0.00021883
0.00268869 0.00025321 0.01712045
-17.18325562 4.53993080 28.03401820
0.00071344 0.00041397 -0.00020653
-0.00807688 0.02669787 0.01558416
-16.61654829 6.59250825 30.13312903
-0.00121386 0.00062359 -0.00008746
0.01139496 -0.00170544 0.00533117
0.60086151 -22.20674233 -1.03243284
-0.00052976 0.00011113 0.00009128
0.01092884 -0.00896412 0.00802212
2.16237083 -24.63038169 -1.71291612
-0.00002794 -0.00078589 -0.00040613
0.00160391 -0.00504201 -0.00466136
14.82312722 -10.53392778 -11.29198329
-0.00045554 -0.00015503 0.00048783
-0.02281162 -0.00618967 -0.02169351
12.94223861 -11.67673530 -13.42634381
-0.00029279 0.00073695 -0.00023449
0.00304374 0.00302141 -0.01722855
19.50602682 -18.28326116 5.31192687
-0.00002754 -0.00069721 0.00118526
-0.01318014 0.00619223 -0.00601277
19.97029304 -19.37842890 2.44512443
-0.00060783 -0.00013615 -0.00005329
0.01219889 -0.00072265 0.03118529
-41.68245843 16.93298867 9.47207925
0.00097869 -0.00023079 0.00017012
0.01280110 -0.00246111 0.00566464
-40.39753736 18.14765447 11.80050609
0.00003917 -0.00018689 -0.00020531
0.00811662 0.00235351 0.00369693
19.27108301 -25.04452788 6.42838760
-0.00020139 -0.00067862 -0.00017101
0.01132202 0.01159222 0.00724808
20.45033508 -22.18449624 6.22304822
-0.00039995 0.00100348 0.00043075
-0.00413862 -0.00650397 -0.00096958
-16.53961143 -0.89312471 16.23010534
0.00071350 0.00025343 -0.00039956
-0.00286359 -0.00627486 0.00243553
-18.07546236 1.23617349 17.18348874
-0.00024641 -0.00064930 0.00006041
-0.00856849 -0.00855629 0.01152036
-0.89341507 13.11163506 12.68021587
0.00030594 0.00003847 0.00025498
-0.00684399 0.00411702 0.00093448
-0.76274953 14.09137830 15.35295256
0.00021005 -0.00063375 0.00074228
0.01709949 0.01357890 0.01883007
6.69877434 -1.35705092 -12.35454928
0.00051467 -0.00016335 0.00017529
-0.00259257 0.01343785 -0.01387869
9.02746075 -1.61211816 -10.48925225
-0.00004389 0.00078906 -0.00012805
0.00289413 0.00293964 -0.01359423
1.58224956 -8.51177392 -14.24359291
-0.00023188 -0.00031665 0.00007866
-0.00446512 0.00163518 -0.00127726
1.55332795 -11.36751288 -14.17733395
-0.00023271 -0.00024829 0.00098718
0.01724389 -0.02899572 0.00222711
4.22360802 -0.43066490 2.48763323
-0.00058692 0.00073848 0.00032056
-0.00377151 0.00344792 -0.01046372
6.98694512 -0.48250203 3.63769307
0.00130929 -0.00024660 -0.00001179
-0.00233920 0.00790310 -0.00576812
0.38101335 5.15961588 17.65840903
0.00009516 0.00040598 0.00005290
0.00615475 -0.00754862 -0.00482790
0.64680880 7.46605538 19.52220265
-0.00005815 0.00059081 -0.00052554
-0.00628908 -0.00757348 -0.00265266
2.16309357 15.03030768 -21.58798015
0.00056319 -0.00011750 -0.00130550
0.01149929 0.00917474 -0.01181433
0.74553729 13.39692690 -19.86724554
-0.00065699 -0.00050957 0.00021177
-0.00176052 0.01363569 0.00568771
19.13683424 -20.35739196 -1.99898274
-0.00000243 -0.00055491 -0.00003901
-0.00453349 -0.00095733 0.00213072
21.46739081 -18.84711416 -2.41407359
-0.00004686 0.00036351 0.00054010
0.01967743 0.02491737 -0.02394762
15.92967362 -2.69353277 -25.21348788
-0.00043297 -0.00058513 0.00028645
0.00608114 -0.00549636 0.00287871
16.35448657 -1.62615444 -22.42870251
0.00090419 0.00034610 0.00025323
-0.00394020 0.00501957 -0.02852071
-24.13812976 5.61738075 28.50742550
0.00003076 0.00061778 0.00085610
0.00588052 0.00011809 -0.00130466
-21.22513046 6.40875980 28.56353739
-0.00034458 0.00105780 0.00001338
-0.01319382 0.00732095 0.00066312
-9.11647422 2.27959737 -16.91820645
0.00041721 0.00045706 -0.00075404
0.02999591 -0.02132556 0.03955924
-6.37960263 1.03497835 -15.51209602
0.00099283 0.00013017 -0.00022771
-0.04142250 0.00416070 -0.00472538
-1.45113147 22.71412956 -14.17857284
0.00034300 0.00074362 0.00015723
0.01363315 -0.02090373 0.01080131
1.29259889 22.87610911 -13.05225658
0.00048128 0.00015457 -0.00025361
0.00793363 -0.00305559 -0.00301349
3.44724189 -6.90355057 -17.91502448
0.00021420 0.00055332 -0.00001993
-0.01275952 -0.00485183 -0.01221733
4.59089621 -4.18095128 -17.65272046
0.00025874 0.00008746 0.00051838
-0.00311259 0.00560498 -0.00225217
13.39584708 5.48956422 2.84648769
0.00029781 -0.00014672 -0.00013969
-0.00389892 0.00051283 0.01067739
14.39352779 6.34265018 5.54095673
-0.00039416 0.00025058 -0.00009140
-0.02831241 -0.02472976 -0.02051908
-3.64901760 -2.32629839 -23.88285166
0.00025608 0.00003030 -0.00014626
0.00338562 -0.00053894 0.00008089
-0.83492593 -2.21002930 -22.91927256
0.00008147 0.00000631 -0.00021433
-0.00912184 -0.00806002 -0.00205904
-0.84697438 -9.29408438 20.32466641
0.00054001 0.00000156 -0.00041534
0.01902323 -0.00379182 0.00230833
2.00871477 -8.28022517 19.72877691
-0.00015941 -0.00002676 0.00001823
-0.01850118 -0.01753682 -0.00396626
7.04709326 11.18091533 12.65636832
0.00047500 -0.00004598 0.00034451
0.00015897 0.00706871 -0.00950069
7.62409739 13.63170893 10.98110353
0.00034122 0.00011440 -0.00051044
-0.00623364 0.00360305 0.00448678
-1.74397564 -0.94580526 13.50816668
0.00024794 -0.00024882 0.00059935
0.00197100 0.00969469 0.00119404
-2.08017396 -1.29186143 16.34453888
-0.00028874 -0.00161165 0.00076588
0.00156777 -0.01521977 0.02125631
20.14287311 7.77698161 -6.07239340
-0.00005282 0.00030236 -0.00020853
-0.01467291 0.02631177 -0.00744207
20.02100303 10.50158977 -7.25204183
-0.00039537 0.00004176 -0.00022856
0.00703321 0.00588223 -0.00430341
18.95058438 17.97777110 5.64142988
0.00000792 -0.00079873 -0.00086922
-0.00136182 -0.01104494 0.00918567
19.49701913 19.61233955 3.29261430
-0.00116006 -0.00065063 -0.00023702
-0.01005938 0.00125100 0.00922654
-13.43061383 -10.60436830 5.01266533
0.00015591 0.00027629 0.00003004
0.01571900 -0.01351918 -0.01179664
-12.03897498 -11.99292354 2.72181539
-0.00021098 0.00021776 -0.00007940
-0.00692363 -0.00081151 0.02132687
-9.27122994 -34.57901161 5.68611285
-0.00018826 0.00052858 0.00055956
0.03385249 -0.01155883 -0.00542195
-7.36752606 -35.46456399 3.75502310
-0.00111394 0.00007012 0.00051778
0.00710377 -0.00998745 -0.03013815
-10.64970130 -29.58791705 21.30863336
-0.00001578 -0.00126282 -0.00066871
-0.01697436 0.01408420 0.01219832
-12.54991875 -27.14882946 21.83930413
0.00014910 0.00005741 -0.00046435
0.00810109 -0.02286022 0.00148158
-14.61337896 -23.62422258 -3.10131889
-0.00001932 -0.00004649 -0.00022515
-0.00129581 -0.00013726 0.00413036
-13.36509174 -23.25572068 -0.36609964
-0.00060902 0.00024116 -0.00091127
-0.00416427 0.01402835 0.02011947
-2.87473237 13.79227774 23.87059278
0.00004801 0.00017377 0.00036071
0.00919306 -0.02030559 0.02215134
-3.13744160 16.44937751 22.87003758
-0.00024183 0.00008486 -0.00082737
-0.00146709 -0.01743532 -0.00506312
6.09434190 -13.65925793 3.26988003
-0.00000670 0.00002637 -0.00096049
-0.02751974 0.00969265 -0.00354559
5.37184501 -11.10785726 2.14051624
0.00059801 0.00082448 0.00048558
-0.00474796 0.00534523 0.00000135
-7.37477819 4.55379464 -9.60010323
0.00027534 -0.00082872 -0.00067069
0.00446772 0.01922374 -0.00908330
-5.98702280 2.01437460 -9.33901134
0.00014414 0.00060846 0.00032662
-0.01410950 0.00422175 0.00779213
-17.12930616 4.99447643 -11.11381457
-0.00077608 0.00049266 -0.00046455
-0.03667416 -0.00730536 0.00496319
-19.68715200 6.53155917 -11.59416085
0.00048832 -0.00081527 0.00103802
-0.00405680 0.00834448 -0.00827345
-19.54872103 -13.85711571 -0.75070333
-0.00054922 0.00014260 0.00031430
-0.00698525 0.00898326 -0.00200211
-21.25697925 -12.41853660 -2.98073902
-0.00040345 -0.00021730 -0.00058969
0.00698772 -0.00118578 0.01884167
-13.09866402 8.87152659 6.84839759
-0.00000250 -0.00026019 -0.00014363
0.00025517 -0.00577338 0.01202855
-14.36315114 9.44283665 9.45907336
-0.00024727 0.00000189 0.00054627
0.00013481 0.00879184 0.00390442
-7.19828517 -12.30695557 18.34998771
0.00009493 -0.00096847 -0.00012903
0.02638908 -0.01392698 -0.00187519
-9.50095905 -10.69569017 18.00398762
0.00059615 0.00068853 -0.00013932
-0.00148196 -0.01256259 0.01164558
15.38462767 1.15966093 20.15126931
0.00056935 0.00123807 -0.00027565
0.00177237 0.00760358 0.01014553
15.78244394 2.81233939 17.81513569
-0.00098408 0.00051940 0.00031693
0.00346193 0.00648372 -0.00888584
14.25305861 -18.42756218 21.14081714
0.00082361 0.00077868 -0.00010869
-0.00088360 -0.00355344 0.00775652
11.77513759 -16.94661661 21.61712537
-0.00088275 -0.00078314 -0.00044333
0.01132789 0.00148233 0.00682044
7.87126237 16.38218790 5.90476352
0.00043183 -0.00012759 -0.00045061
-0.00186221 -0.00305859 -0.01695863
10.23590481 16.93876469 4.40008023
0.00105540 -0.00050560 0.00040264
0.02752374 0.01739487 0.00030098
4.47106004 20.15686991 -3.72360341
0.00093826 -0.00012818 0.00007267
0.00693918 0.00727415 -0.01542363
4.11084808 18.06907122 -1.72070200
-0.00008037 -0.00002738 0.00077293
-0.01562098 0.00858797 -0.01365310
-0.10300582 -27.84003601 -4.49734891
-0.00029318 -0.00039577 0.00082504
-0.01514509 0.01372265 -0.00953668
-0.46745380 -28.09665813 -7.28576596
0.00070654 0.00027014 -0.00062058
-0.00573861 0.00436109 0.00393011
4.88616059 1.03494128 7.42875864
0.00006394 -0.00057452 -0.00004027
-0.00595938 -0.01374921 0.00782668
4.60661585 1.81729951 10.22213984
-0.00094556 0.00065620 0.00016479
-0.00146221 0.00656491 0.00369935
-11.05968691 9.36006564 -5.87966123
-0.00015026 0.00054770 0.00025568
0.00501377 0.00279842 0.00667799
-12.01778611 6.90480170 -7.13815854
0.00006264 -0.00030089 0.00036629
-0.01192214 0.01697175 0.01359807
-12.79303548 -9.28363633 -8.92944659
-0.00010301 -0.00025473 -0.00002318
0.00351039 -0.00413590 -0.00708571
-11.63337686 -6.84181828 -7.70464643
-0.00039684 -0.00001119 -0.00036490
-0.01552848 -0.00881854 0.00016694
2.01019717 8.56093835 8.15773632
-0.00028336 -0.00077236 0.00047066
-0.00553707 -0.00901182 -0.01487419
4.65285317 9.75532670 8.70791899
-0.00086906 -0.00068385 -0.00060677
0.02094940 0.00563700 -0.00966122
18.47148884 -9.44429835 6.57619471
-0.00040918 0.00032837 -0.00033072
-0.00041158 0.01138494 0.00144154
21.18637693 -8.82327949 7.44394665
0.00019219 -0.00021724 0.00009667
0.01332356 -0.00169434 0.00570082
-22.84390712 25.10986538 -7.94744418
-0.00081603 -0.00009034 0.00003108
0.01938105 0.00846363 0.00249862
-20.59514926 27.07129320 -8.76366374
-0.00044565 -0.00036125 0.00018752
0.00530786 0.00985727 -0.02448899
13.02230431 -2.58852701 14.39178440
0.00004279 -0.00091428 -0.00038084
0.00470503 0.00262958 -0.01502684
14.64468777 -5.01150215 13.47874952
-0.00052058 0.00022461 0.00015112
-0.00730281 0.01349216 0.01175014
-10.98851170 11.19306971 -1.34731489
-0.00069938 0.00021862 -0.00178756
0.05828264 -0.02213032 -0.04056725
-13.21955192 12.87790851 -1.29757349
-0.00068926 0.00050732 0.00022759
0.00458705 -0.01055578 0.01447958
12.38438180 19.36567065 -20.90503191
0.00046929 0.00057217 -0.00036389
-0.00479350 0.00266179 0.03008363
13.97141634 20.26382808 -18.61248351
-0.00015924 0.00087728 -0.00055673
0.00853549 -0.00276186 0.00783330
10.81161751 -0.91684222 3.92432372
-0.00017203 0.00069633 0.00043154
0.00706505 0.01358917 0.00148000
10.90002658 2.13215855 3.72040015
0.00037168 -0.00008409 -0.00031550
0.02407701 0.02831571 0.01715644
3.21637459 -30.07538386 13.00336655
-0.00083326 -0.00119184 -0.00026581
-0.00623138 0.00650836 0.00019976
0.89303156 -28.42400590 12.17141606
0.00075846 -0.00025824 -0.00032141
-0.00320260 0.01516326 -0.01810427
-13.21549012 28.82957970 10.83378713
-0.00063047 0.00036664 -0.00067875
-0.00045879 0.00097750 -0.00593162
-13.33442786 26.10779929 12.03257534
-0.00086478 0.00056118 -0.00077685
0.00817311 -0.01214477 -0.00505626
6.79680940 -7.13904825 0.98538780
0.00088139 -0.00094644 -0.00085365
0.02058083 0.00249654 0.00788404
5.84531518 -8.62510684 -1.49600937
0.00006757 0.00021317 -0.00076284
0.01005546 0.00251312 0.00187299
-15.39889542 9.53502297 -7.23048346
0.00092256 -0.00063731 0.00032604
0.01089759 -0.00218934 0.00489475
-18.03813410 8.43294198 -7.17738756
-0.00036109 -0.00023616 0.00068838
0.00033289 0.00865581 -0.00615097
15.75222951 8.38296278 23.58614670
-0.00011841 -0.00008713 0.00031156
-0.01058254 -0.00394157 -0.00344630
18.32226747 9.71117617 23.80785754
-0.00010167 -0.00071784 0.00026237
0.00658467 0.00197388 0.00686898
-17.48521398 12.50264233 17.89591452
-0.00072290 -0.00127511 -0.00077661
0.00979549 0.00507396 0.00337738
-15.38236353 14.66018888 17.95152052
-0.00108341 -0.00049286 0.00000811
-0.00866056 -0.00760389 0.00390026
18.37029621 -5.77100237 -4.30470094
-0.00121733 -0.00091381 -0.00061601
-0.02164448 0.01037006 0.00801873
16.16492847 -4.42568150 -5.64002022
0.00042288 -0.00017735 0.00100886
-0.00451074 -0.00449075 0.00637782
-10.02095770 1.43283767 -10.41766080
-0.00029125 0.00023849 -0.00041720
0.00789898 -0.00619982 -0.00820323
-10.34994769 0.31991486 -13.12361363
0.00043250 0.00007224 0.00028393
0.02286127 0.00545573 -0.03190010
-5.87552231 -14.40131172 -17.35821569
0.00045407 -0.00060384 -0.00056774
-0.00777872 0.03478932 -0.00775480
-5.95299287 -16.17253819 -15.12899287
0.00089300 0.00099033 -0.00004945
-0.00363766 -0.00016759 0.04611155
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.49507597
-170.49507624
-170.49507642
-170.49507626
-170.49507616
-170.49507601
-170.49507596
-170.49507591
-170.49507589
-170.49507589
-1100.48216231
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.49616692
-170.49616697
-1100.48215774
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.74249325
-170.49637433
-170.49637437
-1100.48215817
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.82113133 0.33982868
-170.49592072
-170.49592073
-1100.48215853
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.88274956 0.14908830 -0.03229048
-170.49559783
-170.49559783
-1100.48215862
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.75823370 0.46787827 -0.06805280
-170.49572146
-170.49572146
-1100.48215864
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.05309151 -0.92010875 0.28855219
-170.49574164
-170.49574164
-1100.48215866
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.07190011 0.23933189 -0.09158169
-170.49568245
-170.49568245
-1100.48215867
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.08402402 -0.10307839 -0.00517350
-170.49567055
-170.49567055
-1100.48215867
BOSampleStepper: end scf iteration
805.44171779
0.00000000
-1310.37168428
126.97227106
-450.86076869
-271.66369089
95.02198585
646.81841729
0.00000000
0.00000000
-1100.48215501
0.00000000
-0.00022325
-1100.48237826
-6.6021823100 -9.9411551500 0.5747760400
4.3696526713 -4.3317974593 -1.8555459791
-2.2325296387 9.1870473907 -1.2807699391
-6.72780369 -7.78325570 -11.38103946
0.00001930 0.00022828 -0.00019833
0.01298524 -0.00704832 0.05762665
-6.41671762 -15.96779465 12.44921571
0.00005541 0.00000467 0.00014604
0.01580727 0.00177471 0.00767841
-24.99007265 10.04932164 1.68760674
0.00009310 -0.00021380 0.00013712
-0.01217374 0.00782298 -0.00273711
-17.85325632 6.11100251 28.86575942
-0.00014009 0.00010212 -0.00018350
0.00464118 -0.02854766 -0.01914096
1.83021514 -23.45332031 -0.35234986
0.00003857 0.00008036 -0.00022650
-0.00829260 0.01584192 -0.00251477
13.25533595 -11.55903847 -11.66557491
0.00008715 0.00013731 -0.00014740
0.02194233 0.00491247 0.03674114
20.42239738 -19.56123435 4.31932157
0.00044167 -0.00009733 0.00015490
0.00926066 -0.00367419 -0.03417172
-40.72628722 16.48811140 11.05651283
-0.00000054 0.00020821 0.00005181
-0.01732098 0.01270168 -0.00833954
19.98383533 -23.53088866 7.45251386
-0.00007577 0.00012912 0.00009976
-0.02474574 0.00015535 -0.01885048
-17.10041548 -0.21126739 17.85374461
0.00015818 -0.00034993 -0.00019645
0.00528306 0.00359145 -0.01057589
-1.91904288 13.36531220 14.20386954
-0.00012872 0.00000407 0.00021906
-0.01367607 -0.01484776 -0.02053617
7.23272404 -1.90283331 -10.70179413
0.00000316 0.00007056 0.00030374
0.00324380 -0.01647556 0.02647958
0.52064480 -9.95527325 -14.61961699
-0.00003765 -0.00017449 -0.00034093
-0.01001506 0.03386821 0.00242791
5.18603417 -0.65377146 4.01412669
-0.00000844 -0.00005953 -0.00002486
0.00337388 -0.00420835 0.01600480
-0.61070019 6.40485586 18.59516363
-0.00035872 -0.00004314 0.00044866
0.00969283 0.01186331 0.01166896
1.12749479 15.21239811 -20.11097547
0.00011246 0.00009507 -0.00014300
-0.00928922 -0.02087506 0.00855756
20.60306837 -19.68849918 -1.10026976
-0.00005928 0.00038561 -0.00016217
-0.01604126 -0.02552655 0.03310391
16.44098729 -1.18166067 -24.26567499
0.00008925 0.00001796 -0.00035778
-0.00187562 -0.01068864 0.03104068
-22.96863699 7.04206685 28.86608900
0.00002162 -0.00000539 0.00023057
0.01702999 -0.00046700 0.00820603
-8.36545655 1.26035198 -15.39047602
-0.00019224 0.00000791 0.00008742
0.01212176 0.01425471 -0.04041295
-0.17060406 21.78330813 -13.01549879
0.00003058 0.00007744 -0.00004828
-0.01719914 0.00551392 0.00079667
4.58089330 -5.86326009 -16.91599131
-0.00029753 0.00016192 0.00014321
0.00550297 0.00188304 0.00735431
12.97906467 5.30182791 4.66645295
-0.00009495 -0.00015714 -0.00016289
0.02964621 0.00609966 0.00585130
-2.32871824 -3.34852016 -23.06230158
0.00018158 -0.00012945 -0.00008542
0.00444832 0.00392406 0.01011082
0.85660256 -9.77276728 19.58104673
0.00002964 -0.00003582 0.00000533
-0.00093962 0.02574976 0.00427781
7.64014761 11.79073096 10.98849191
-0.00024783 -0.00015688 0.00011330
-0.00782979 -0.02166851 0.00451083
-2.19032325 -0.01148912 15.07692950
0.00022521 0.00001974 0.00027761
-0.01402465 0.01980802 -0.03441900
18.90571010 9.13952435 -6.73581290
0.00024709 0.00018046 0.00022790
0.02418537 -0.02572951 0.00177597
18.31136860 19.49621078 4.78044766
0.00007138 -0.00002677 0.00032434
0.00480668 0.01290953 -0.02133283
-12.27014540 -12.08769891 4.64765184
0.00005363 0.00013844 0.00025191
-0.01472778 0.01112770 -0.00319563
-7.33710869 -34.87896237 5.46164541
0.00003556 0.00004643 0.00003736
-0.03417454 0.01093765 0.03272106
-12.08556925 -28.96645377 22.35681359
0.00005938 -0.00010453 0.00011497
0.01288683 0.01045143 -0.00553434
-13.37067967 -24.23787957 -1.86668255
-0.00008901 0.00021375 0.00040180
-0.00262189 -0.00602871 -0.02715657
-3.37624509 14.63845835 22.37911084
0.00012938 0.00033050 -0.00005679
-0.00594796 0.04305866 -0.01424321
4.56656049 -12.62833029 2.80172584
-0.00010129 0.00006588 0.00025816
0.04238591 -0.01925224 0.00812504
-7.60003790 2.87660114 -8.89240306
-0.00026672 -0.00003570 0.00002517
0.01529772 -0.02115345 0.01314685
-19.12902280 4.91148288 -10.96731886
-0.00007110 -0.00015529 -0.00002369
0.05083163 0.00456686 -0.01538204
-20.88996725 -14.00902431 -2.01009732
0.00012813 -0.00002582 -0.00010566
-0.00728264 -0.01111102 -0.02041206
-13.57557353 8.07333176 8.49567961
0.00020977 0.00001177 0.00002272
-0.00503318 -0.00891841 -0.02094748
-8.92103096 -12.27002106 18.85398614
-0.00006913 0.00034872 0.00018421
-0.02560945 0.03351594 -0.00786323
15.87882047 2.86875296 19.65964372
-0.00003335 -0.00023739 0.00020242
0.01186054 -0.00850091 -0.00050731
13.36083325 -17.42274330 22.46148497
0.00018303 -0.00010545 -0.00017529
-0.01171635 0.00610379 -0.01021365
8.84628481 15.82512205 4.40102247
0.00014954 0.00018748 -0.00001567
-0.02822467 -0.00854819 0.01731148
3.18512074 19.02008189 -3.11211113
-0.00020974 0.00009095 -0.00014652
0.00826026 -0.01836324 0.02300841
-1.37543971 -27.34816366 -5.81767632
-0.00013055 -0.00001317 -0.00014021
0.01822032 -0.04435671 0.01058826
4.56383321 0.33648129 9.13329886
0.00018576 -0.00003494 -0.00031918
0.01131978 0.01724786 -0.01088122
-12.56761831 8.28467331 -5.97620528
-0.00011029 -0.00003385 -0.00013692
0.00030340 -0.02744334 -0.01384392
-12.85041198 -8.27420361 -7.41075431
0.00001313 0.00009959 -0.00036083
0.02663085 0.01146603 0.00784787
3.03666507 9.42831050 9.39414922
0.00035266 -0.00020169 0.00000458
-0.01575872 -0.01362546 0.02868786
19.53473623 -8.06049036 7.30578192
0.00044971 0.00008204 -0.00010192
-0.01665369 -0.00767868 -0.01204054
-21.21721703 26.01370817 -7.43834291
-0.00021539 -0.00016818 0.00006571
-0.03324171 -0.02633083 0.04439072
13.76225771 -4.17550335 14.92205676
-0.00018659 0.00005490 0.00000064
0.01216348 -0.02175008 0.00271762
-12.23809114 11.66562001 -0.26209740
-0.00003420 -0.00007194 0.00009810
-0.06333912 0.02640243 0.02403644
12.24529859 19.80697143 -19.00923009
0.00007696 -0.00000866 0.00009787
0.00065432 -0.00808378 -0.04746107
10.01991057 0.66984450 3.27241668
0.00029633 0.00014945 0.00017363
-0.03081253 -0.03685916 -0.01105505
1.56189431 -29.40371583 13.52722555
-0.00016636 0.00017174 -0.00012292
0.01098484 -0.01269188 0.01603222
-13.95857387 27.81284385 12.17390799
-0.00023606 -0.00009709 -0.00024722
-0.01578800 0.02119287 0.00609921
5.37446087 -7.89189264 0.17631912
-0.00008381 -0.00014581 0.00018663
-0.02287607 -0.00941195 -0.01572471
-17.13813204 9.95445471 -7.72313274
0.00009759 -0.00000321 0.00015198
-0.00820886 -0.01340417 -0.00633236
16.62217605 9.71781743 24.48655414
-0.00008495 -0.00026223 -0.00021915
0.00282376 0.00320247 -0.00038540
-16.71150568 13.80963276 18.98056411
-0.00000522 -0.00016402 -0.00007151
-0.00234997 0.00601138 0.00981866
16.60410910 -5.16932800 -3.98693390
0.00006025 -0.00011471 -0.00008879
0.02159992 0.00017696 -0.02280340
-10.96969594 0.19142891 -11.44918780
0.00009524 -0.00017056 0.00005053
-0.04115207 -0.00302840 0.05223943
-5.61987014 -16.09559394 -16.85686538
-0.00004508 0.00015994 -0.00015188
0.01257334 -0.03509821 -0.02729141
-5.16727135 -8.41112872 -10.47682973
-0.00027721 -0.00026771 -0.00091698
-0.01792930 0.00969978 -0.00381304
-6.01223031 -7.59618399 -12.97862598
-0.00057010 0.00082295 0.00195452
0.01643545 0.00671868 -0.05153288
-7.98725827 -15.04359036 12.30193317
0.00032547 -0.00106407 0.00043363
-0.00193949 0.01098883 0.00415291
-5.39293444 -15.23106113 13.94605511
-0.00062579 0.00078089 -0.00062302
-0.02329418 -0.00635071 -0.01568410
-24.52919109 9.19141748 3.30137309
-0.00039646 -0.00035788 0.00033864
0.00902517 -0.00107395 -0.02023557
-23.82971442 9.54189419 0.31743243
0.00013390 -0.00023761 0.00021883
0.00278674 0.00024154 0.01716901
-17.18325562 4.53993080 28.03401820
0.00071344 0.00041397 -0.00020653
-0.00793590 0.02668630 0.01558822
-16.61654829 6.59250825 30.13312903
-0.00121386 0.00062359 -0.00008746
0.01148633 -0.00174330 0.00528917
0.60086151 -22.20674233 -1.03243284
-0.00052976 0.00011113 0.00009128
0.01103231 -0.00893493 0.00803461
2.16237083 -24.63038169 -1.71291612
-0.00002794 -0.00078589 -0.00040613
0.00172851 -0.00501748 -0.00462982
14.82312722 -10.53392778 -11.29198329
-0.00045554 -0.00015503 0.00048783
-0.02273396 -0.00625843 -0.02170232
12.94223861 -11.67673530 -13.42634381
-0.00029279 0.00073695 -0.00023449
0.00316273 0.00301363 -0.01724067
19.50602682 -18.28326116 5.31192687
-0.00002754 -0.00069721 0.00118526
-0.01310885 0.00626145 -0.00594903
19.97029304 -19.37842890 2.44512443
-0.00060783 -0.00013615 -0.00005329
0.01234440 -0.00072709 0.03119944
-41.68245843 16.93298867 9.47207925
0.00097869 -0.00023079 0.00017012
0.01292631 -0.00245765 0.00562706
-40.39753736 18.14765447 11.80050609
0.00003917 -0.00018689 -0.00020531
0.00824355 0.00231527 0.00368664
19.27108301 -25.04452788 6.42838760
-0.00020139 -0.00067862 -0.00017101
0.01144824 0.01154365 0.00722433
20.45033508 -22.18449624 6.22304822
-0.00039995 0.00100348 0.00043075
-0.00399958 -0.00651680 -0.00094973
-16.53961143 -0.89312471 16.23010534
0.00071350 0.00025343 -0.00039956
-0.00272224 -0.00627317 0.00244570
-18.07546236 1.23617349 17.18348874
-0.00024641 -0.00064930 0.00006041
-0.00850629 -0.00850316 0.01149487
-0.89341507 13.11163506 12.68021587
0.00030594 0.00003847 0.00025498
-0.00670756 0.00411739 0.00096599
-0.76274953 14.09137830 15.35295256
0.00021005 -0.00063375 0.00074228
0.01724569 0.01356261 0.01881320
6.69877434 -1.35705092 -12.35454928
0.00051467 -0.00016335 0.00017529
-0.00248745 0.01346920 -0.01394725
9.02746075 -1.61211816 -10.48925225
-0.00004389 0.00078906 -0.00012805
0.00298291 0.00292712 -0.01359017
1.58224956 -8.51177392 -14.24359291
-0.00023188 -0.00031665 0.00007866
-0.00432234 0.00162735 -0.00126357
1.55332795 -11.36751288 -14.17733395
-0.00023271 -0.00024829 0.00098718
0.01734894 -0.02889634 0.00223057
4.22360802 -0.43066490 2.48763323
-0.00058692 0.00073848 0.00032056
-0.00367524 0.00345722 -0.01052093
6.98694512 -0.48250203 3.63769307
0.00130929 -0.00024660 -0.00001179
-0.00233193 0.00785997 -0.00575631
0.38101335 5.15961588 17.65840903
0.00009516 0.00040598 0.00005290
0.00627667 -0.00749290 -0.00477544
0.64680880 7.46605538 19.52220265
-0.00005815 0.00059081 -0.00052554
-0.00618280 -0.00763621 -0.00270104
2.16309357 15.03030768 -21.58798015
0.00056319 -0.00011750 -0.00130550
0.01158930 0.00916602 -0.01179414
0.74553729 13.39692690 -19.86724554
-0.00065699 -0.00050957 0.00021177
-0.00164399 0.01362349 0.00568437
19.13683424 -20.35739196 -1.99898274
-0.00000243 -0.00055491 -0.00003901
-0.00446366 -0.00097851 0.00209629
21.46739081 -18.84711416 -2.41407359
-0.00004686 0.00036351 0.00054010
0.01978895 0.02488547 -0.02389799
15.92967362 -2.69353277 -25.21348788
-0.00043297 -0.00058513 0.00028645
0.00620286 -0.00548983 0.00288539
16.35448657 -1.62615444 -22.42870251
0.00090419 0.00034610 0.00025323
-0.00383050 0.00502758 -0.02852672
-24.13812976 5.61738075 28.50742550
0.00003076 0.00061778 0.00085610
0.00589070 0.00000413 -0.00134499
-21.22513046 6.40875980 28.56353739
-0.00034458 0.00105780 0.00001338
-0.01317865 0.00732898 0.00064751
-9.11647422 2.27959737 -16.91820645
0.00041721 0.00045706 -0.00075404
0.03013128 -0.02130104 0.03952492
-6.37960263 1.03497835 -15.51209602
0.00099283 0.00013017 -0.00022771
-0.04148799 0.00422828 -0.00470452
-1.45113147 22.71412956 -14.17857284
0.00034300 0.00074362 0.00015723
0.01363370 -0.02084138 0.01065885
1.29259889 22.87610911 -13.05225658
0.00048128 0.00015457 -0.00025361
0.00800240 -0.00307906 -0.00298612
3.44724189 -6.90355057 -17.91502448
0.00021420 0.00055332 -0.00001993
-0.01268341 -0.00490837 -0.01225834
4.59089621 -4.18095128 -17.65272046
0.00025874 0.00008746 0.00051838
-0.00297315 0.00559468 -0.00223369
13.39584708 5.48956422 2.84648769
0.00029781 -0.00014672 -0.00013969
-0.00374999 0.00051095 0.01067352
14.39352779 6.34265018 5.54095673
-0.00039416 0.00025058 -0.00009140
-0.02824805 -0.02474694 -0.02055405
-3.64901760 -2.32629839 -23.88285166
0.00025608 0.00003030 -0.00014626
0.00343024 -0.00050117 0.00005575
-0.83492593 -2.21002930 -22.91927256
0.00008147 0.00000631 -0.00021433
-0.00906599 -0.00811680 -0.00204137
-0.84697438 -9.29408438 20.32466641
0.00054001 0.00000156 -0.00041534
0.01905126 -0.00377076 0.00238196
2.00871477 -8.28022517 19.72877691
-0.00015941 -0.00002676 0.00001823
-0.01839152 -0.01755222 -0.00396721
7.04709326 11.18091533 12.65636832
0.00047500 -0.00004598 0.00034451
0.00029037 0.00705164 -0.00949088
7.62409739 13.63170893 10.98110353
0.00034122 0.00011440 -0.00051044
-0.00611462 0.00366161 0.00447295
-1.74397564 -0.94580526 13.50816668
0.00024794 -0.00024882 0.00059935
0.00209893 0.00970609 0.00123790
-2.08017396 -1.29186143 16.34453888
-0.00028874 -0.00161165 0.00076588
0.00171029 -0.01519159 0.02123713
20.14287311 7.77698161 -6.07239340
-0.00005282 0.00030236 -0.00020853
-0.01463154 0.02638995 -0.00750200
20.02100303 10.50158977 -7.25204183
-0.00039537 0.00004176 -0.00022856
0.00716385 0.00584856 -0.00428921
18.95058438 17.97777110 5.64142988
0.00000792 -0.00079873 -0.00086922
-0.00121321 -0.01101181 0.00916455
19.49701913 19.61233955 3.29261430
-0.00116006 -0.00065063 -0.00023702
-0.00994459 0.00123616 0.00929715
-13.43061383 -10.60436830 5.01266533
0.00015591 0.00027629 0.00003004
0.01582422 -0.01344760 -0.01179247
-12.03897498 -11.99292354 2.72181539
-0.00021098 0.00021776 -0.00007940
-0.00678516 -0.00080419 0.02133422
-9.27122994 -34.57901161 5.68611285
-0.00018826 0.00052858 0.00055956
0.03381729 -0.01157239 -0.00543933
-7.36752606 -35.46456399 3.75502310
-0.00111394 0.00007012 0.00051778
0.00724705 -0.00997050 -0.03010846
-10.64970130 -29.58791705 21.30863336
-0.00001578 -0.00126282 -0.00066871
-0.01685930 0.01407849 0.01219992
-12.54991875 -27.14882946 21.83930413
0.00014910 0.00005741 -0.00046435
0.00821911 -0.02278776 0.00146691
-14.61337896 -23.62422258 -3.10131889
-0.00001932 -0.00004649 -0.00022515
-0.00122434 -0.00014303 0.00405392
-13.36509174 -23.25572068 -0.36609964
-0.00060902 0.00024116 -0.00091127
-0.00402652 0.01400760 0.02011984
-2.87473237 13.79227774 23.87059278
0.00004801 0.00017377 0.00036071
0.00931499 -0.02030252 0.02214821
-3.13744160 16.44937751 22.87003758
-0.00024183 0.00008486 -0.00082737
-0.00133549 -0.01743067 -0.00506753
6.09434190 -13.65925793 3.26988003
-0.00000670 0.00002637 -0.00096049
-0.02737095 0.00968509 -0.00355125
5.37184501 -11.10785726 2.14051624
0.00059801 0.00082448 0.00048558
-0.00460180 0.00535031 -0.00000452
-7.37477819 4.55379464 -9.60010323
0.00027534 -0.00082872 -0.00067069
0.00461523 0.01919840 -0.00908087
-5.98702280 2.01437460 -9.33901134
0.00014414 0.00060846 0.00032662
-0.01401905 0.00426402 0.00777601
-17.12930616 4.99447643 -11.11381457
-0.00077608 0.00049266 -0.00046455
-0.03672443 -0.00726937 0.00497265
-19.68715200 6.53155917 -11.59416085
0.00048832 -0.00081527 0.00103802
-0.00391403 0.00836605 -0.00829713
-19.54872103 -13.85711571 -0.75070333
-0.00054922 0.00014260 0.00031430
-0.00686400 0.00898861 -0.00203212
-21.25697925 -12.41853660 -2.98073902
-0.00040345 -0.00021730 -0.00058969
0.00710531 -0.00112520 0.01882414
-13.09866402 8.87152659 6.84839759
-0.00000250 -0.00026019 -0.00014363
0.00037119 -0.00579537 0.01207251
-14.36315114 9.44283665 9.45907336
-0.00024727 0.00000189 0.00054627
0.00024094 0.00883639 0.00393665
-7.19828517 -12.30695557 18.34998771
0.00009493 -0.00096847 -0.00012903
0.02646648 -0.01388870 -0.00185820
-9.50095905 -10.69569017 18.00398762
0.00059615 0.00068853 -0.00013932
-0.00136331 -0.01254810 0.01163098
15.38462767 1.15966093 20.15126931
0.00056935 0.00123807 -0.00027565
0.00190441 0.00761601 0.01013729
15.78244394 2.81233939 17.81513569
-0.00098408 0.00051940 0.00031693
0.00360747 0.00648606 -0.00888681
14.25305861 -18.42756218 21.14081714
0.00082361 0.00077868 -0.00010869
-0.00078479 -0.00348674 0.00781339
11.77513759 -16.94661661 21.61712537
-0.00088275 -0.00078314 -0.00044333
0.01147183 0.00149347 0.00682216
7.87126237 16.38218790 5.90476352
0.00043183 -0.00012759 -0.00045061
-0.00180823 -0.00302819 -0.01691662
10.23590481 16.93876469 4.40008023
0.00105540 -0.00050560 0.00040264
0.02762548 0.01734887 0.00030572
4.47106004 20.15686991 -3.72360341
0.00093826 -0.00012818 0.00007267
0.00707333 0.00725519 -0.01539445
4.11084808 18.06907122 -1.72070200
-0.00008037 -0.00002738 0.00077293
-0.01549348 0.00864194 -0.01369516
-0.10300582 -27.84003601 -4.49734891
-0.00029318 -0.00039577 0.00082504
-0.01506907 0.01372362 -0.00957354
-0.46745380 -28.09665813 -7.28576596
0.00070654 0.00027014 -0.00062058
-0.00561671 0.00438380 0.00397303
4.88616059 1.03494128 7.42875864
0.00006394 -0.00057452 -0.00004027
-0.00581209 -0.01374749 0.00783623
4.60661585 1.81729951 10.22213984
-0.00094556 0.00065620 0.00016479
-0.00133437 0.00656556 0.00369836
-11.05968691 9.36006564 -5.87966123
-0.00015026 0.00054770 0.00025568
0.00507108 0.00271852 0.00663627
-12.01778611 6.90480170 -7.13815854
0.00006264 -0.00030089 0.00036629
-0.01177921 0.01696486 0.01357932
-12.79303548 -9.28363633 -8.92944659
-0.00010301 -0.00025473 -0.00002318
0.00363114 -0.00412462 -0.00709119
-11.63337686 -6.84181828 -7.70464643
-0.00039684 -0.00001119 -0.00036490
-0.01543143 -0.00888963 0.00016862
2.01019717 8.56093835 8.15773632
-0.00028336 -0.00077236 0.00047066
-0.00543903 -0.00904297 -0.01493079
4.65285317 9.75532670 8.70791899
-0.00086906 -0.00068385 -0.00060677
0.02105451 0.00562793 -0.00968364
18.47148884 -9.44429835 6.57619471
-0.00040918 0.00032837 -0.00033072
-0.00035321 0.01129950 0.00139864
21.18637693 -8.82327949 7.44394665
0.00019219 -0.00021724 0.00009667
0.01335128 -0.00165590 0.00566345
-22.84390712 25.10986538 -7.94744418
-0.00081603 -0.00009034 0.00003108
0.01939758 0.00837160 0.00248638
-20.59514926 27.07129320 -8.76366374
-0.00044565 -0.00036125 0.00018752
0.00540364 0.00979407 -0.02438909
13.02230431 -2.58852701 14.39178440
0.00004279 -0.00091428 -0.00038084
0.00483714 0.00264516 -0.01504463
14.64468777 -5.01150215 13.47874952
-0.00052058 0.00022461 0.00015112
-0.00720380 0.01353257 0.01177915
-10.98851170 11.19306971 -1.34731489
-0.00069938 0.00021862 -0.00178756
0.05839055 -0.02211898 -0.04054804
-13.21955192 12.87790851 -1.29757349
-0.00068926 0.00050732 0.00022759
0.00469474 -0.01055591 0.01447359
12.38438180 19.36567065 -20.90503191
0.00046929 0.00057217 -0.00036389
-0.00465741 0.00265078 0.03006679
13.97141634 20.26382808 -18.61248351
-0.00015924 0.00087728 -0.00055673
0.00862444 -0.00275137 0.00781787
10.81161751 -0.91684222 3.92432372
-0.00017203 0.00069633 0.00043154
0.00717532 0.01366387 0.00146937
10.90002658 2.13215855 3.72040015
0.00037168 -0.00008409 -0.00031550
0.02420645 0.02827648 0.01715370
3.21637459 -30.07538386 13.00336655
-0.00083326 -0.00119184 -0.00026581
-0.00618379 0.00652771 0.00023107
0.89303156 -28.42400590 12.17141606
0.00075846 -0.00025824 -0.00032141
-0.00307080 0.01518749 -0.01812368
-13.21549012 28.82957970 10.83378713
-0.00063047 0.00036664 -0.00067875
-0.00031453 0.00097213 -0.00593937
-13.33442786 26.10779929 12.03257534
-0.00086478 0.00056118 -0.00077685
0.00826221 -0.01206940 -0.00506115
6.79680940 -7.13904825 0.98538780
0.00088139 -0.00094644 -0.00085365
0.02069269 0.00248888 0.00784914
5.84531518 -8.62510684 -1.49600937
0.00006757 0.00021317 -0.00076284
0.01018475 0.00253675 0.00191542
-15.39889542 9.53502297 -7.23048346
0.00092256 -0.00063731 0.00032604
0.01090512 -0.00214616 0.00484925
-18.03813410 8.43294198 -7.17738756
-0.00036109 -0.00023616 0.00068838
0.00045717 0.00865627 -0.00614858
15.75222951 8.38296278 23.58614670
-0.00011841 -0.00008713 0.00031156
-0.01048669 -0.00398297 -0.00348274
18.32226747 9.71117617 23.80785754
-0.00010167 -0.00071784 0.00026237
0.00664580 0.00196106 0.00684479
-17.48521398 12.50264233 17.89591452
-0.00072290 -0.00127511 -0.00077661
0.00992690 0.00507273 0.00337946
-15.38236353 14.66018888 17.95152052
-0.00108341 -0.00049286 0.00000811
-0.00862809 -0.00764591 0.00396835
18.37029621 -5.77100237 -4.30470094
-0.00121733 -0.00091381 -0.00061601
-0.02154360 0.01036889 0.00801223
16.16492847 -4.42568150 -5.64002022
0.00042288 -0.00017735 0.00100886
-0.00440211 -0.00448602 0.00632258
-10.02095770 1.43283767 -10.41766080
-0.00029125 0.00023849 -0.00041720
0.00795587 -0.00625514 -0.00828205
-10.34994769 0.31991486 -13.12361363
0.00043250 0.00007224 0.00028393
0.02296026 0.00544236 -0.03180717
-5.87552231 -14.40131172 -17.35821569
0.00045407 -0.00060384 -0.00056774
-0.00766215 0.03483096 -0.00777130
-5.95299287 -16.17253819 -15.12899287
0.00089300 0.00099033 -0.00004945
-0.00350355 -0.00017542 0.04611077
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.49507084
-170.49507111
-170.49507130
-170.49507113
-170.49507104
-170.49507089
-170.49507084
-170.49507079
-170.49507078
-170.49507077
-1100.48215208
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.49470598
-170.49470603
-1100.48214757
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77615242
-170.49468661
-170.49468665
-1100.48214799
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77221183 0.32315841
-170.49485898
-170.49485899
-1100.48214834
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.95613444 0.13737730 -0.02547750
-170.49498795
-170.49498795
-1100.48214843
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.63319706 0.42517060 -0.06433526
-170.49493929
-170.49493929
-1100.48214844
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.25436386 -0.85636519 0.26496900
-170.49492451
-170.49492451
-1100.48214846
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.08775507 0.17591916 -0.10152469
-170.49494493
-170.49494493
-1100.48214846
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.49082468 0.05933953 -0.11262598
-170.49494923
-170.49494923
-1100.48214846
BOSampleStepper: end scf iteration
805.44379090
0.00000000
-1310.37225353
126.96968051
-450.85972529
-271.66364765
95.02198585
646.81841729
0.00000000
0.00000000
-1100.48215505
0.00000000
-0.00092698
-1100.48308203
-6.6021823100 -9.9411551500 0.5747760400
4.4532625003 -4.2490278587 -1.8546738024
-2.1489198097 9.2698169913 -1.2798977624
-6.72780369 -7.78325570 -11.38103946
0.00001930 0.00022828 -0.00019833
0.01228454 -0.00776854 0.05763612
-6.41671762 -15.96779465 12.44921571
0.00005541 0.00000467 0.00014604
0.01510258 0.00105146 0.00765786
-24.99007265 10.04932164 1.68760674
0.00009310 -0.00021380 0.00013712
-0.01288576 0.00713698 -0.00273041
-17.85325632 6.11100251 28.86575942
-0.00014009 0.00010212 -0.00018350
0.00393270 -0.02924638 -0.01915078
1.83021514 -23.45332031 -0.35234986
0.00003857 0.00008036 -0.00022650
-0.00901063 0.01513862 -0.00250974
13.25533595 -11.55903847 -11.66557491
0.00008715 0.00013731 -0.00014740
0.02124177 0.00419843 0.03671245
20.42239738 -19.56123435 4.31932157
0.00044167 -0.00009733 0.00015490
0.00853344 -0.00441646 -0.03417002
-40.72628722 16.48811140 11.05651283
-0.00000054 0.00020821 0.00005181
-0.01801943 0.01199581 -0.00834692
19.98383533 -23.53088866 7.45251386
-0.00007577 0.00012912 0.00009976
-0.02547450 -0.00056794 -0.01887950
-17.10041548 -0.21126739 17.85374461
0.00015818 -0.00034993 -0.00019645
0.00458982 0.00292285 -0.01057936
-1.91904288 13.36531220 14.20386954
-0.00012872 0.00000407 0.00021906
-0.01435972 -0.01554622 -0.02052124
7.23272404 -1.90283331 -10.70179413
0.00000316 0.00007056 0.00030374
0.00256255 -0.01716252 0.02644590
0.52064480 -9.95527325 -14.61961699
-0.00003765 -0.00017449 -0.00034093
-0.01066854 0.03319748 0.00245311
5.18603417 -0.65377146 4.01412669
-0.00000844 -0.00005953 -0.00002486
0.00266156 -0.00490541 0.01599052
-0.61070019 6.40485586 18.59516363
-0.00035872 -0.00004314 0.00044866
0.00898751 0.01114699 0.01167125
1.12749479 15.21239811 -20.11097547
0.00011246 0.00009507 -0.00014300
-0.01000785 -0.02156274 0.00855050
20.60306837 -19.68849918 -1.10026976
-0.00005928 0.00038561 -0.00016217
-0.01675033 -0.02622761 0.03312669
16.44098729 -1.18166067 -24.26567499
0.00008925 0.00001796 -0.00035778
-0.00256439 -0.01134927 0.03103144
-22.96863699 7.04206685 28.86608900
0.00002162 -0.00000539 0.00023057
0.01627065 -0.00119442 0.00816876
-8.36545655 1.26035198 -15.39047602
-0.00019224 0.00000791 0.00008742
0.01139864 0.01357024 -0.04040445
-0.17060406 21.78330813 -13.01549879
0.00003058 0.00007744 -0.00004828
-0.01789871 0.00486496 0.00077428
4.58089330 -5.86326009 -16.91599131
-0.00029753 0.00016192 0.00014321
0.00478643 0.00118427 0.00734728
12.97906467 5.30182791 4.66645295
-0.00009495 -0.00015714 -0.00016289
0.02895285 0.00539979 0.00582522
-2.32871824 -3.34852016 -23.06230158
0.00018158 -0.00012945 -0.00008542
0.00370875 0.00323444 0.01012033
0.85660256 -9.77276728 19.58104673
0.00002964 -0.00003582 0.00000533
-0.00163137 0.02506921 0.00430087
7.64014761 11.79073096 10.98849191
-0.00024783 -0.00015688 0.00011330
-0.00850845 -0.02238321 0.00451027
-2.19032325 -0.01148912 15.07692950
0.00022521 0.00001974 0.00027761
-0.01473494 0.01911088 -0.03440270
18.90571010 9.13952435 -6.73581290
0.00024709 0.00018046 0.00022790
0.02350464 -0.02639789 0.00175081
18.31136860 19.49621078 4.78044766
0.00007138 -0.00002677 0.00032434
0.00413280 0.01217375 -0.02131948
-12.27014540 -12.08769891 4.64765184
0.00005363 0.00013844 0.00025191
-0.01543025 0.01041620 -0.00319132
-7.33710869 -34.87896237 5.46164541
0.00003556 0.00004643 0.00003736
-0.03491064 0.01022441 0.03269848
-12.08556925 -28.96645377 22.35681359
0.00005938 -0.00010453 0.00011497
0.01220638 0.00974432 -0.00555069
-13.37067967 -24.23787957 -1.86668255
-0.00008901 0.00021375 0.00040180
-0.00330594 -0.00671126 -0.02716964
-3.37624509 14.63845835 22.37911084
0.00012938 0.00033050 -0.00005679
-0.00661711 0.04237646 -0.01420538
4.56656049 -12.62833029 2.80172584
-0.00010129 0.00006588 0.00025816
0.04172870 -0.01994219 0.00811734
-7.60003790 2.87660114 -8.89240306
-0.00026672 -0.00003570 0.00002517
0.01460518 -0.02187058 0.01314047
-19.12902280 4.91148288 -10.96731886
-0.00007110 -0.00015529 -0.00002369
0.05011700 0.00386873 -0.01536993
-20.88996725 -14.00902431 -2.01009732
0.00012813 -0.00002582 -0.00010566
-0.00799251 -0.01180818 -0.02042811
-13.57557353 8.07333176 8.49567961
0.00020977 0.00001177 0.00002272
-0.00573022 -0.00962238 -0.02092617
-8.92103096 -12.27002106 18.85398614
-0.00006913 0.00034872 0.00018421
-0.02631174 0.03283659 -0.00788960
15.87882047 2.86875296 19.65964372
-0.00003335 -0.00023739 0.00020242
0.01119036 -0.00916830 -0.00050858
13.36083325 -17.42274330 22.46148497
0.00018303 -0.00010545 -0.00017529
-0.01239555 0.00539368 -0.01021577
8.84628481 15.82512205 4.40102247
0.00014954 0.00018748 -0.00001567
-0.02891167 -0.00923376 0.01732650
3.18512074 19.02008189 -3.11211113
-0.00020974 0.00009095 -0.00014652
0.00758903 -0.01908023 0.02301694
-1.37543971 -27.34816366 -5.81767632
-0.00013055 -0.00001317 -0.00014021
0.01754014 -0.04505697 0.01060618
4.56383321 0.33648129 9.13329886
0.00018576 -0.00003494 -0.00031918
0.01063655 0.01658652 -0.01088664
-12.56761831 8.28467331 -5.97620528
-0.00011029 -0.00003385 -0.00013692
-0.00041254 -0.02812451 -0.01386577
-12.85041198 -8.27420361 -7.41075431
0.00001313 0.00009959 -0.00036083
0.02591261 0.01075183 0.00785445
3.03666507 9.42831050 9.39414922
0.00035266 -0.00020169 0.00000458
-0.01644250 -0.01433125 0.02865880
19.53473623 -8.06049036 7.30578192
0.00044971 0.00008204 -0.00010192
-0.01736957 -0.00839057 -0.01204171
-21.21721703 26.01370817 -7.43834291
-0.00021539 -0.00016818 0.00006571
-0.03398236 -0.02706994 0.04442613
13.76225771 -4.17550335 14.92205676
-0.00018659 0.00005490 0.00000064
0.01147837 -0.02247844 0.00271444
-12.23809114 11.66562001 -0.26209740
-0.00003420 -0.00007194 0.00009810
-0.06399719 0.02574209 0.02403922
12.24529859 19.80697143 -19.00923009
0.00007696 -0.00000866 0.00009787
-0.00001818 -0.00878616 -0.04748960
10.01991057 0.66984450 3.27241668
0.00029633 0.00014945 0.00017363
-0.03149180 -0.03757741 -0.01105652
1.56189431 -29.40371583 13.52722555
-0.00016636 0.00017174 -0.00012292
0.01029338 -0.01336695 0.01603771
-13.95857387 27.81284385 12.17390799
-0.00023606 -0.00009709 -0.00024722
-0.01647680 0.02051649 0.00610130
5.37446087 -7.89189264 0.17631912
-0.00008381 -0.00014581 0.00018663
-0.02354364 -0.01010463 -0.01571874
-17.13813204 9.95445471 -7.72313274
0.00009759 -0.00000321 0.00015198
-0.00890689 -0.01406793 -0.00635150
16.62217605 9.71781743 24.48655414
-0.00008495 -0.00026223 -0.00021915
0.00211800 0.00251505 -0.00041323
-16.71150568 13.80963276 18.98056411
-0.00000522 -0.00016402 -0.00007151
-0.00306506 0.00531192 0.00982698
16.60410910 -5.16932800 -3.98693390
0.00006025 -0.00011471 -0.00008879
0.02092379 -0.00048789 -0.02283691
-10.96969594 0.19142891 -11.44918780
0.00009524 -0.00017056 0.00005053
-0.04186351 -0.00372882 0.05224871
-5.61987014 -16.09559394 -16.85686538
-0.00004508 0.00015994 -0.00015188
0.01188971 -0.03578277 -0.02729467
-5.16727135 -8.41112872 -10.47682973
-0.00027721 -0.00026771 -0.00091698
-0.01797825 0.00962425 -0.00379954
-6.01223031 -7.59618399 -12.97862598
-0.00057010 0.00082295 0.00195452
0.01637216 0.00664907 -0.05155064
-7.98725827 -15.04359036 12.30193317
0.00032547 -0.00106407 0.00043363
-0.00201509 0.01092427 0.00414968
-5.39293444 -15.23106113 13.94605511
-0.00062579 0.00078089 -0.00062302
-0.02332319 -0.00639553 -0.01560483
-24.52919109 9.19141748 3.30137309
-0.00039646 -0.00035788 0.00033864
0.00895549 -0.00112903 -0.02024887
-23.82971442 9.54189419 0.31743243
0.00013390 -0.00023761 0.00021883
0.00274564 0.00017638 0.01714536
-17.18325562 4.53993080 28.03401820
0.00071344 0.00041397 -0.00020653
-0.00799957 0.02663532 0.01558708
-16.61654829 6.59250825 30.13312903
-0.00121386 0.00062359 -0.00008746
0.01146316 -0.00178457 0.00532318
0.60086151 -22.20674233 -1.03243284
-0.00052976 0.00011113 0.00009128
0.01096431 -0.00899774 0.00802576
2.16237083 -24.63038169 -1.71291612
-0.00002794 -0.00078589 -0.00040613
0.00165655 -0.00506373 -0.00462751
14.82312722 -10.53392778 -11.29198329
-0.00045554 -0.00015503 0.00048783
-0.02273906 -0.00625385 -0.02169283
12.94223861 -11.67673530 -13.42634381
-0.00029279 0.00073695 -0.00023449
0.00310480 0.00294970 -0.01722856
19.50602682 -18.28326116 5.31192687
-0.00002754 -0.00069721 0.00118526
-0.01317142 0.00620318 -0.00594782
19.97029304 -19.37842890 2.44512443
-0.00060783 -0.00013615 -0.00005329
0.01227303 -0.00079599 0.03120064
-41.68245843 16.93298867 9.47207925
0.00097869 -0.00023079 0.00017012
0.01286165 -0.00253561 0.00563273
-40.39753736 18.14765447 11.80050609
0.00003917 -0.00018689 -0.00020531
0.00819956 0.00230873 0.00371476
19.27108301 -25.04452788 6.42838760
-0.00020139 -0.00067862 -0.00017101
0.01141730 0.01157909 0.00729271
20.45033508 -22.18449624 6.22304822
-0.00039995 0.00100348 0.00043075
-0.00406527 -0.00652109 -0.00100707
-16.53961143 -0.89312471 16.23010534
0.00071350 0.00025343 -0.00039956
-0.00279344 -0.00634277 0.00245110
-18.07546236 1.23617349 17.18348874
-0.00024641 -0.00064930 0.00006041
-0.00856361 -0.00858551 0.01149981
-0.89341507 13.11163506 12.68021587
0.00030594 0.00003847 0.00025498
-0.00677371 0.00404895 0.00094900
-0.76274953 14.09137830 15.35295256
0.00021005 -0.00063375 0.00074228
0.01717679 0.01351084 0.01881946
6.69877434 -1.35705092 -12.35454928
0.00051467 -0.00016335 0.00017529
-0.00255771 0.01340399 -0.01393512
9.02746075 -1.61211816 -10.48925225
-0.00004389 0.00078906 -0.00012805
0.00294956 0.00287292 -0.01359341
1.58224956 -8.51177392 -14.24359291
-0.00023188 -0.00031665 0.00007866
-0.00439430 0.00156211 -0.00126833
1.55332795 -11.36751288 -14.17733395
-0.00023271 -0.00024829 0.00098718
0.01725088 -0.02894237 0.00222390
4.22360802 -0.43066490 2.48763323
-0.00058692 0.00073848 0.00032056
-0.00372690 0.00338408 -0.01049138
6.98694512 -0.48250203 3.63769307
0.00130929 -0.00024660 -0.00001179
-0.00231558 0.00781856 -0.00576074
0.38101335 5.15961588 17.65840903
0.00009516 0.00040598 0.00005290
0.00618781 -0.00754788 -0.00477056
0.64680880 7.46605538 19.52220265
-0.00005815 0.00059081 -0.00052554
-0.00620053 -0.00764466 -0.00264649
2.16309357 15.03030768 -21.58798015
0.00056319 -0.00011750 -0.00130550
0.01154829 0.00909898 -0.01181099
0.74553729 13.39692690 -19.86724554
-0.00065699 -0.00050957 0.00021177
-0.00169567 0.01357001 0.00568827
19.13683424 -20.35739196 -1.99898274
-0.00000243 -0.00055491 -0.00003901
-0.00449227 -0.00103201 0.00211315
21.46739081 -18.84711416 -2.41407359
-0.00004686 0.00036351 0.00054010
0.01975222 0.02485567 -0.02395127
15.92967362 -2.69353277 -25.21348788
-0.00043297 -0.00058513 0.00028645
0.00613714 -0.00553497 0.00291442
16.35448657 -1.62615444 -22.42870251
0.00090419 0.00034610 0.00025323
-0.00388825 0.00494885 -0.02852187
-24.13812976 5.61738075 28.50742550
0.00003076 0.00061778 0.00085610
0.00593941 0.00002764 -0.00131388
-21.22513046 6.40875980 28.56353739
-0.00034458 0.00105780 0.00001338
-0.01319339 0.00725065 0.00065337
-9.11647422 2.27959737 -16.91820645
0.00041721 0.00045706 -0.00075404
0.03005055 -0.02135215 0.03952127
-6.37960263 1.03497835 -15.51209602
0.00099283 0.00013017 -0.00022771
-0.04149444 0.00413297 -0.00470617
-1.45113147 22.71412956 -14.17857284
0.00034300 0.00074362 0.00015723
0.01360063 -0.02094457 0.01070487
1.29259889 22.87610911 -13.05225658
0.00048128 0.00015457 -0.00025361
0.00798082 -0.00314143 -0.00300032
3.44724189 -6.90355057 -17.91502448
0.00021420 0.00055332 -0.00001993
-0.01269444 -0.00493280 -0.01221322
4.59089621 -4.18095128 -17.65272046
0.00025874 0.00008746 0.00051838
-0.00303865 0.00557302 -0.00225361
13.39584708 5.48956422 2.84648769
0.00029781 -0.00014672 -0.00013969
-0.00382329 0.00044381 0.01066933
14.39352779 6.34265018 5.54095673
-0.00039416 0.00025058 -0.00009140
-0.02826638 -0.02479744 -0.02052573
-3.64901760 -2.32629839 -23.88285166
0.00025608 0.00003030 -0.00014626
0.00339065 -0.00059003 0.00006772
-0.83492593 -2.21002930 -22.91927256
0.00008147 0.00000631 -0.00021433
-0.00906455 -0.00814387 -0.00205316
-0.84697438 -9.29408438 20.32466641
0.00054001 0.00000156 -0.00041534
0.01902581 -0.00385648 0.00235115
2.00871477 -8.28022517 19.72877691
-0.00015941 -0.00002676 0.00001823
-0.01843780 -0.01759913 -0.00397115
7.04709326 11.18091533 12.65636832
0.00047500 -0.00004598 0.00034451
0.00023411 0.00699643 -0.00952021
7.62409739 13.63170893 10.98110353
0.00034122 0.00011440 -0.00051044
-0.00619478 0.00363514 0.00447123
-1.74397564 -0.94580526 13.50816668
0.00024794 -0.00024882 0.00059935
0.00203025 0.00962631 0.00122922
-2.08017396 -1.29186143 16.34453888
-0.00028874 -0.00161165 0.00076588
0.00162633 -0.01522297 0.02120003
20.14287311 7.77698161 -6.07239340
-0.00005282 0.00030236 -0.00020853
-0.01468757 0.02630676 -0.00749375
20.02100303 10.50158977 -7.25204183
-0.00039537 0.00004176 -0.00022856
0.00711672 0.00582415 -0.00431254
18.95058438 17.97777110 5.64142988
0.00000792 -0.00079873 -0.00086922
-0.00130719 -0.01102049 0.00912598
19.49701913 19.61233955 3.29261430
-0.00116006 -0.00065063 -0.00023702
-0.00999697 0.00117208 0.00925401
-13.43061383 -10.60436830 5.01266533
0.00015591 0.00027629 0.00003004
0.01573783 -0.01349158 -0.01179420
-12.03897498 -11.99292354 2.72181539
-0.00021098 0.00021776 -0.00007940
-0.00685691 -0.00088438 0.02132456
-9.27122994 -34.57901161 5.68611285
-0.00018826 0.00052858 0.00055956
0.03383965 -0.01164182 -0.00543043
-7.36752606 -35.46456399 3.75502310
-0.00111394 0.00007012 0.00051778
0.00716688 -0.01003301 -0.03009565
-10.64970130 -29.58791705 21.30863336
-0.00001578 -0.00126282 -0.00066871
-0.01691355 0.01401348 0.01220154
-12.54991875 -27.14882946 21.83930413
0.00014910 0.00005741 -0.00046435
0.00812976 -0.02280973 0.00146695
-14.61337896 -23.62422258 -3.10131889
-0.00001932 -0.00004649 -0.00022515
-0.00125860 -0.00021749 0.00408213
-13.36509174 -23.25572068 -0.36609964
-0.00060902 0.00024116 -0.00091127
-0.00408636 0.01394621 0.02013072
-2.87473237 13.79227774 23.87059278
0.00004801 0.00017377 0.00036071
0.00925040 -0.02035293 0.02213664
-3.13744160 16.44937751 22.87003758
-0.00024183 0.00008486 -0.00082737
-0.00140024 -0.01746785 -0.00506259
6.09434190 -13.65925793 3.26988003
-0.00000670 0.00002637 -0.00096049
-0.02744035 0.00963466 -0.00355952
5.37184501 -11.10785726 2.14051624
0.00059801 0.00082448 0.00048558
-0.00467412 0.00530389 -0.00001392
-7.37477819 4.55379464 -9.60010323
0.00027534 -0.00082872 -0.00067069
0.00455510 0.01921385 -0.00910963
-5.98702280 2.01437460 -9.33901134
0.00014414 0.00060846 0.00032662
-0.01408091 0.00418497 0.00778256
-17.12930616 4.99447643 -11.11381457
-0.00077608 0.00049266 -0.00046455
-0.03671469 -0.00735529 0.00497436
-19.68715200 6.53155917 -11.59416085
0.00048832 -0.00081527 0.00103802
-0.00399499 0.00830954 -0.00830408
-19.54872103 -13.85711571 -0.75070333
-0.00054922 0.00014260 0.00031430
-0.00692283 0.00890841 -0.00200805
-21.25697925 -12.41853660 -2.98073902
-0.00040345 -0.00021730 -0.00058969
0.00701340 -0.00116064 0.01880164
-13.09866402 8.87152659 6.84839759
-0.00000250 -0.00026019 -0.00014363
0.00032488 -0.00583286 0.01202042
-14.36315114 9.44283665 9.45907336
-0.00024727 0.00000189 0.00054627
0.00016437 0.00877987 0.00395663
-7.19828517 -12.30695557 18.34998771
0.00009493 -0.00096847 -0.00012903
0.02640717 -0.01397193 -0.00185688
-9.50095905 -10.69569017 18.00398762
0.00059615 0.00068853 -0.00013932
-0.00143135 -0.01261964 0.01164240
15.38462767 1.15966093 20.15126931
0.00056935 0.00123807 -0.00027565
0.00183434 0.00756239 0.01011081
15.78244394 2.81233939 17.81513569
-0.00098408 0.00051940 0.00031693
0.00353318 0.00640837 -0.00889328
14.25305861 -18.42756218 21.14081714
0.00082361 0.00077868 -0.00010869
-0.00087033 -0.00354191 0.00782255
11.77513759 -16.94661661 21.61712537
-0.00088275 -0.00078314 -0.00044333
0.01139724 0.00142883 0.00681341
7.87126237 16.38218790 5.90476352
0.00043183 -0.00012759 -0.00045061
-0.00185194 -0.00311360 -0.01693467
10.23590481 16.93876469 4.40008023
0.00105540 -0.00050560 0.00040264
0.02760173 0.01732914 0.00029803
4.47106004 20.15686991 -3.72360341
0.00093826 -0.00012818 0.00007267
0.00701656 0.00721489 -0.01542214
4.11084808 18.06907122 -1.72070200
-0.00008037 -0.00002738 0.00077293
-0.01558198 0.00858642 -0.01370888
-0.10300582 -27.84003601 -4.49734891
-0.00029318 -0.00039577 0.00082504
-0.01510935 0.01365073 -0.00955603
-0.46745380 -28.09665813 -7.28576596
0.00070654 0.00027014 -0.00062058
-0.00568606 0.00431402 0.00396361
4.88616059 1.03494128 7.42875864
0.00006394 -0.00057452 -0.00004027
-0.00588613 -0.01381499 0.00784730
4.60661585 1.81729951 10.22213984
-0.00094556 0.00065620 0.00016479
-0.00140001 0.00652113 0.00371714
-11.05968691 9.36006564 -5.87966123
-0.00015026 0.00054770 0.00025568
0.00508407 0.00271712 0.00666901
-12.01778611 6.90480170 -7.13815854
0.00006264 -0.00030089 0.00036629
-0.01184427 0.01690175 0.01358578
-12.79303548 -9.28363633 -8.92944659
-0.00010301 -0.00025473 -0.00002318
0.00356467 -0.00419158 -0.00707915
-11.63337686 -6.84181828 -7.70464643
-0.00039684 -0.00001119 -0.00036490
-0.01544553 -0.00887080 0.00015808
2.01019717 8.56093835 8.15773632
-0.00028336 -0.00077236 0.00047066
-0.00547398 -0.00907854 -0.01488220
4.65285317 9.75532670 8.70791899
-0.00086906 -0.00068385 -0.00060677
0.02100861 0.00557183 -0.00966930
18.47148884 -9.44429835 6.57619471
-0.00040918 0.00032837 -0.00033072
-0.00033721 0.01129941 0.00144080
21.18637693 -8.82327949 7.44394665
0.00019219 -0.00021724 0.00009667
0.01331632 -0.00174975 0.00567459
-22.84390712 25.10986538 -7.94744418
-0.00081603 -0.00009034 0.00003108
0.01943755 0.00837736 0.00250382
-20.59514926 27.07129320 -8.76366374
-0.00044565 -0.00036125 0.00018752
0.00537999 0.00978198 -0.02447389
13.02230431 -2.58852701 14.39178440
0.00004279 -0.00091428 -0.00038084
0.00476043 0.00260702 -0.01506230
14.64468777 -5.01150215 13.47874952
-0.00052058 0.00022461 0.00015112
-0.00727470 0.01347130 0.01178461
-10.98851170 11.19306971 -1.34731489
-0.00069938 0.00021862 -0.00178756
0.05833183 -0.02218638 -0.04055327
-13.21955192 12.87790851 -1.29757349
-0.00068926 0.00050732 0.00022759
0.00463835 -0.01061704 0.01448073
12.38438180 19.36567065 -20.90503191
0.00046929 0.00057217 -0.00036389
-0.00472098 0.00259676 0.03008959
13.97141634 20.26382808 -18.61248351
-0.00015924 0.00087728 -0.00055673
0.00857624 -0.00282245 0.00783092
10.81161751 -0.91684222 3.92432372
-0.00017203 0.00069633 0.00043154
0.00708360 0.01363017 0.00145765
10.90002658 2.13215855 3.72040015
0.00037168 -0.00008409 -0.00031550
0.02415605 0.02825551 0.01716507
3.21637459 -30.07538386 13.00336655
-0.00083326 -0.00119184 -0.00026581
-0.00621612 0.00645194 0.00022098
0.89303156 -28.42400590 12.17141606
0.00075846 -0.00025824 -0.00032141
-0.00314873 0.01513838 -0.01812757
-13.21549012 28.82957970 10.83378713
-0.00063047 0.00036664 -0.00067875
-0.00038341 0.00093911 -0.00596559
-13.33442786 26.10779929 12.03257534
-0.00086478 0.00056118 -0.00077685
0.00818973 -0.01212824 -0.00506090
6.79680940 -7.13904825 0.98538780
0.00088139 -0.00094644 -0.00085365
0.02063850 0.00242646 0.00786436
5.84531518 -8.62510684 -1.49600937
0.00006757 0.00021317 -0.00076284
0.01011161 0.00246910 0.00192093
-15.39889542 9.53502297 -7.23048346
0.00092256 -0.00063731 0.00032604
0.01087981 -0.00223460 0.00486979
-18.03813410 8.43294198 -7.17738756
-0.00036109 -0.00023616 0.00068838
0.00039960 0.00858512 -0.00613577
15.75222951 8.38296278 23.58614670
-0.00011841 -0.00008713 0.00031156
-0.01050950 -0.00400867 -0.00345778
18.32226747 9.71117617 23.80785754
-0.00010167 -0.00071784 0.00026237
0.00662185 0.00189949 0.00685132
-17.48521398 12.50264233 17.89591452
-0.00072290 -0.00127511 -0.00077661
0.00986712 0.00504513 0.00340810
-15.38236353 14.66018888 17.95152052
-0.00108341 -0.00049286 0.00000811
-0.00862844 -0.00768998 0.00392047
18.37029621 -5.77100237 -4.30470094
-0.00121733 -0.00091381 -0.00061601
-0.02159023 0.01030582 0.00800817
16.16492847 -4.42568150 -5.64002022
0.00042288 -0.00017735 0.00100886
-0.00445570 -0.00455784 0.00634889
-10.02095770 1.43283767 -10.41766080
-0.00029125 0.00023849 -0.00041720
0.00794934 -0.00627371 -0.00821759
-10.34994769 0.31991486 -13.12361363
0.00043250 0.00007224 0.00028393
0.02291772 0.00537495 -0.03186642
-5.87552231 -14.40131172 -17.35821569
0.00045407 -0.00060384 -0.00056774
-0.00773878 0.03479418 -0.00778330
-5.95299287 -16.17253819 -15.12899287
0.00089300 0.00099033 -0.00004945
-0.00356675 -0.00024145 0.04611139
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.49507781
-170.49507808
-170.49507826
-170.49507810
-170.49507800
-170.49507786
-170.49507781
-170.49507775
-170.49507774
-170.49507774
-1100.48216601
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.49547131
-170.49547136
-1100.48216151
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77554171
-170.49551764
-170.49551768
-1100.48216192
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77406033 0.32397629
-170.49534162
-170.49534163
-1100.48216227
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.96426920 0.14337106 -0.02821673
-170.49520768
-170.49520768
-1100.48216236
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.63371178 0.42545129 -0.06455772
-170.49525842
-170.49525842
-1100.48216238
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.25281987 -0.85952817 0.26679373
-170.49527313
-170.49527313
-1100.48216239
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.08609660 0.17609867 -0.10250241
-170.49525104
-170.49525104
-1100.48216240
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.48667637 0.05927637 -0.11140180
-170.49524598
-170.49524598
-1100.48216240
BOSampleStepper: end scf iteration
805.44261627
0.00000000
-1310.37208626
126.97131843
-450.86027883
-271.66372467
95.02198585
646.81841729
0.00000000
0.00000000
-1100.48215505
0.00000000
0.00091030
-1100.48124475
-6.6021823100 -9.9411551500 0.5747760400
4.4545164276 -4.4158202898 -1.8539884234
-2.1476658824 9.1030245602 -1.2792123834
-6.72780369 -7.78325570 -11.38103946
0.00001930 0.00022828 -0.00019833
0.01230375 -0.00635634 0.05763144
-6.41671762 -15.96779465 12.44921571
0.00005541 0.00000467 0.00014604
0.01513323 0.00246025 0.00764955
-24.99007265 10.04932164 1.68760674
0.00009310 -0.00021380 0.00013712
-0.01286714 0.00849247 -0.00276595
-17.85325632 6.11100251 28.86575942
-0.00014009 0.00010212 -0.00018350
0.00397238 -0.02787882 -0.01916052
1.83021514 -23.45332031 -0.35234986
0.00003857 0.00008036 -0.00022650
-0.00900386 0.01653602 -0.00249813
13.25533595 -11.55903847 -11.66557491
0.00008715 0.00013731 -0.00014740
0.02125466 0.00561435 0.03674635
20.42239738 -19.56123435 4.31932157
0.00044167 -0.00009733 0.00015490
0.00857151 -0.00296223 -0.03415080
-40.72628722 16.48811140 11.05651283
-0.00000054 0.00020821 0.00005181
-0.01805013 0.01342521 -0.00831680
19.98383533 -23.53088866 7.45251386
-0.00007577 0.00012912 0.00009976
-0.02549110 0.00090488 -0.01887086
-17.10041548 -0.21126739 17.85374461
0.00015818 -0.00034993 -0.00019645
0.00457495 0.00428207 -0.01059183
-1.91904288 13.36531220 14.20386954
-0.00012872 0.00000407 0.00021906
-0.01434788 -0.01415741 -0.02055046
7.23272404 -1.90283331 -10.70179413
0.00000316 0.00007056 0.00030374
0.00256355 -0.01577844 0.02645231
0.52064480 -9.95527325 -14.61961699
-0.00003765 -0.00017449 -0.00034093
-0.01074793 0.03461017 0.00242822
5.18603417 -0.65377146 4.01412669
-0.00000844 -0.00005953 -0.00002486
0.00268024 -0.00351788 0.01598799
-0.61070019 6.40485586 18.59516363
-0.00035872 -0.00004314 0.00044866
0.00899342 0.01258238 0.01168106
1.12749479 15.21239811 -20.11097547
0.00011246 0.00009507 -0.00014300
-0.00997353 -0.02021568 0.00855349
20.60306837 -19.68849918 -1.10026976
-0.00005928 0.00038561 -0.00016217
-0.01674800 -0.02484156 0.03310542
16.44098729 -1.18166067 -24.26567499
0.00008925 0.00001796 -0.00035778
-0.00258148 -0.01001328 0.03103649
-22.96863699 7.04206685 28.86608900
0.00002162 -0.00000539 0.00023057
0.01631732 0.00020439 0.00816693
-8.36545655 1.26035198 -15.39047602
-0.00019224 0.00000791 0.00008742
0.01135684 0.01495077 -0.04042519
-0.17060406 21.78330813 -13.01549879
0.00003058 0.00007744 -0.00004828
-0.01793941 0.00622519 0.00076848
4.58089330 -5.86326009 -16.91599131
-0.00029753 0.00016192 0.00014321
0.00480601 0.00256124 0.00735018
12.97906467 5.30182791 4.66645295
-0.00009495 -0.00015714 -0.00016289
0.02895965 0.00678737 0.00582827
-2.32871824 -3.34852016 -23.06230158
0.00018158 -0.00012945 -0.00008542
0.00374616 0.00458911 0.01012612
0.85660256 -9.77276728 19.58104673
0.00002964 -0.00003582 0.00000533
-0.00166886 0.02646364 0.00426160
7.64014761 11.79073096 10.98849191
-0.00024783 -0.00015688 0.00011330
-0.00851477 -0.02092363 0.00450470
-2.19032325 -0.01148912 15.07692950
0.00022521 0.00001974 0.00027761
-0.01471302 0.02049733 -0.03444227
18.90571010 9.13952435 -6.73581290
0.00024709 0.00018046 0.00022790
0.02349007 -0.02501004 0.00174586
18.31136860 19.49621078 4.78044766
0.00007138 -0.00002677 0.00032434
0.00413289 0.01364328 -0.02133539
-12.27014540 -12.08769891 4.64765184
0.00005363 0.00013844 0.00025191
-0.01545889 0.01183117 -0.00320696
-7.33710869 -34.87896237 5.46164541
0.00003556 0.00004643 0.00003736
-0.03488609 0.01165615 0.03275310
-12.08556925 -28.96645377 22.35681359
0.00005938 -0.00010453 0.00011497
0.01219798 0.01117548 -0.00554224
-13.37067967 -24.23787957 -1.86668255
-0.00008901 0.00021375 0.00040180
-0.00331105 -0.00533561 -0.02718383
-3.37624509 14.63845835 22.37911084
0.00012938 0.00033050 -0.00005679
-0.00665041 0.04375385 -0.01423646
4.56656049 -12.62833029 2.80172584
-0.00010129 0.00006588 0.00025816
0.04174470 -0.01856614 0.00810218
-7.60003790 2.87660114 -8.89240306
-0.00026672 -0.00003570 0.00002517
0.01462796 -0.02045764 0.01312341
-19.12902280 4.91148288 -10.96731886
-0.00007110 -0.00015529 -0.00002369
0.05010849 0.00525289 -0.01537041
-20.88996725 -14.00902431 -2.01009732
0.00012813 -0.00002582 -0.00010566
-0.00799079 -0.01039975 -0.02042453
-13.57557353 8.07333176 8.49567961
0.00020977 0.00001177 0.00002272
-0.00572702 -0.00821530 -0.02094487
-8.92103096 -12.27002106 18.85398614
-0.00006913 0.00034872 0.00018421
-0.02630091 0.03418318 -0.00784620
15.87882047 2.86875296 19.65964372
-0.00003335 -0.00023739 0.00020242
0.01116118 -0.00778844 -0.00051221
13.36083325 -17.42274330 22.46148497
0.00018303 -0.00010545 -0.00017529
-0.01239289 0.00681953 -0.01018153
8.84628481 15.82512205 4.40102247
0.00014954 0.00018748 -0.00001567
-0.02893335 -0.00781466 0.01729290
3.18512074 19.02008189 -3.11211113
-0.00020974 0.00009095 -0.00014652
0.00757235 -0.01762867 0.02297731
-1.37543971 -27.34816366 -5.81767632
-0.00013055 -0.00001317 -0.00014021
0.01752888 -0.04364212 0.01057744
4.56383321 0.33648129 9.13329886
0.00018576 -0.00003494 -0.00031918
0.01061949 0.01791908 -0.01087368
-12.56761831 8.28467331 -5.97620528
-0.00011029 -0.00003385 -0.00013692
-0.00039305 -0.02677770 -0.01388466
-12.85041198 -8.27420361 -7.41075431
0.00001313 0.00009959 -0.00036083
0.02593432 0.01215579 0.00785296
3.03666507 9.42831050 9.39414922
0.00035266 -0.00020169 0.00000458
-0.01646845 -0.01288054 0.02866153
19.53473623 -8.06049036 7.30578192
0.00044971 0.00008204 -0.00010192
-0.01736578 -0.00698709 -0.01206690
-21.21721703 26.01370817 -7.43834291
-0.00021539 -0.00016818 0.00006571
-0.03397894 -0.02562710 0.04442815
13.76225771 -4.17550335 14.92205676
-0.00018659 0.00005490 0.00000064
0.01148165 -0.02103667 0.00272476
-12.23809114 11.66562001 -0.26209740
-0.00003420 -0.00007194 0.00009810
-0.06401875 0.02708338 0.02404281
12.24529859 19.80697143 -19.00923009
0.00007696 -0.00000866 0.00009787
-0.00002745 -0.00737634 -0.04747488
10.01991057 0.66984450 3.27241668
0.00029633 0.00014945 0.00017363
-0.03150877 -0.03614546 -0.01106013
1.56189431 -29.40371583 13.52722555
-0.00016636 0.00017174 -0.00012292
0.01026413 -0.01198887 0.01605382
-13.95857387 27.81284385 12.17390799
-0.00023606 -0.00009709 -0.00024722
-0.01649850 0.02193572 0.00607688
5.37446087 -7.89189264 0.17631912
-0.00008381 -0.00014581 0.00018663
-0.02356337 -0.00870441 -0.01574073
-17.13813204 9.95445471 -7.72313274
0.00009759 -0.00000321 0.00015198
-0.00891941 -0.01272279 -0.00632223
16.62217605 9.71781743 24.48655414
-0.00008495 -0.00026223 -0.00021915
0.00214075 0.00387560 -0.00038382
-16.71150568 13.80963276 18.98056411
-0.00000522 -0.00016402 -0.00007151
-0.00305641 0.00670335 0.00985859
16.60410910 -5.16932800 -3.98693390
0.00006025 -0.00011471 -0.00008879
0.02091672 0.00085460 -0.02281144
-10.96969594 0.19142891 -11.44918780
0.00009524 -0.00017056 0.00005053
-0.04187305 -0.00233159 0.05222473
-5.61987014 -16.09559394 -16.85686538
-0.00004508 0.00015994 -0.00015188
0.01187922 -0.03437332 -0.02729540
-5.16727135 -8.41112872 -10.47682973
-0.00027721 -0.00026771 -0.00091698
-0.01795523 0.00975443 -0.00378561
-6.01223031 -7.59618399 -12.97862598
-0.00057010 0.00082295 0.00195452
0.01637010 0.00679210 -0.05155206
-7.98725827 -15.04359036 12.30193317
0.00032547 -0.00106407 0.00043363
-0.00198569 0.01103179 0.00416739
-5.39293444 -15.23106113 13.94605511
-0.00062579 0.00078089 -0.00062302
-0.02336283 -0.00626711 -0.01566226
-24.52919109 9.19141748 3.30137309
-0.00039646 -0.00035788 0.00033864
0.00897573 -0.00103964 -0.02018139
-23.82971442 9.54189419 0.31743243
0.00013390 -0.00023761 0.00021883
0.00272975 0.00031837 0.01714414
-17.18325562 4.53993080 28.03401820
0.00071344 0.00041397 -0.00020653
-0.00801320 0.02674875 0.01558529
-16.61654829 6.59250825 30.13312903
-0.00121386 0.00062359 -0.00008746
0.01141810 -0.00166420 0.00529714
0.60086151 -22.20674233 -1.03243284
-0.00052976 0.00011113 0.00009128
0.01099684 -0.00890132 0.00803095
2.16237083 -24.63038169 -1.71291612
-0.00002794 -0.00078589 -0.00040613
0.00167588 -0.00499580 -0.00466372
14.82312722 -10.53392778 -11.29198329
-0.00045554 -0.00015503 0.00048783
-0.02280652 -0.00619428 -0.02170301
12.94223861 -11.67673530 -13.42634381
-0.00029279 0.00073695 -0.00023449
0.00310169 0.00308532 -0.01724064
19.50602682 -18.28326116 5.31192687
-0.00002754 -0.00069721 0.00118526
-0.01311760 0.00625050 -0.00601395
19.97029304 -19.37842890 2.44512443
-0.00060783 -0.00013615 -0.00005329
0.01227026 -0.00065376 0.03118410
-41.68245843 16.93298867 9.47207925
0.00097869 -0.00023079 0.00017012
0.01286576 -0.00238315 0.00565899
-40.39753736 18.14765447 11.80050609
0.00003917 -0.00018689 -0.00020531
0.00816063 0.00236016 0.00366886
19.27108301 -25.04452788 6.42838760
-0.00020139 -0.00067862 -0.00017101
0.01135294 0.01155674 0.00717967
20.45033508 -22.18449624 6.22304822
-0.00039995 0.00100348 0.00043075
-0.00407292 -0.00649963 -0.00091227
-16.53961143 -0.89312471 16.23010534
0.00071350 0.00025343 -0.00039956
-0.00279239 -0.00620524 0.00243013
-18.07546236 1.23617349 17.18348874
-0.00024641 -0.00064930 0.00006041
-0.00851116 -0.00847396 0.01151542
-0.89341507 13.11163506 12.68021587
0.00030594 0.00003847 0.00025498
-0.00677786 0.00418546 0.00095149
-0.76274953 14.09137830 15.35295256
0.00021005 -0.00063375 0.00074228
0.01716837 0.01363066 0.01882379
6.69877434 -1.35705092 -12.35454928
0.00051467 -0.00016335 0.00017529
-0.00252233 0.01350306 -0.01389082
9.02746075 -1.61211816 -10.48925225
-0.00004389 0.00078906 -0.00012805
0.00292739 0.00299382 -0.01359098
1.58224956 -8.51177392 -14.24359291
-0.00023188 -0.00031665 0.00007866
-0.00439317 0.00170044 -0.00127248
1.55332795 -11.36751288 -14.17733395
-0.00023271 -0.00024829 0.00098718
0.01734196 -0.02894970 0.00223381
4.22360802 -0.43066490 2.48763323
-0.00058692 0.00073848 0.00032056
-0.00371983 0.00352106 -0.01049322
6.98694512 -0.48250203 3.63769307
0.00130929 -0.00024660 -0.00001179
-0.00235564 0.00794451 -0.00576365
0.38101335 5.15961588 17.65840903
0.00009516 0.00040598 0.00005290
0.00624363 -0.00749367 -0.00483283
0.64680880 7.46605538 19.52220265
-0.00005815 0.00059081 -0.00052554
-0.00627134 -0.00756502 -0.00270722
2.16309357 15.03030768 -21.58798015
0.00056319 -0.00011750 -0.00130550
0.01154025 0.00924177 -0.01179743
0.74553729 13.39692690 -19.86724554
-0.00065699 -0.00050957 0.00021177
-0.00170887 0.01368910 0.00568381
19.13683424 -20.35739196 -1.99898274
-0.00000243 -0.00055491 -0.00003901
-0.00450482 -0.00090381 0.00211390
21.46739081 -18.84711416 -2.41407359
-0.00004686 0.00036351 0.00054010
0.01971417 0.02494716 -0.02389436
15.92967362 -2.69353277 -25.21348788
-0.00043297 -0.00058513 0.00028645
0.00614687 -0.00545125 0.00284964
16.35448657 -1.62615444 -22.42870251
0.00090419 0.00034610 0.00025323
-0.00388244 0.00509832 -0.02852555
-24.13812976 5.61738075 28.50742550
0.00003076 0.00061778 0.00085610
0.00583181 0.00009458 -0.00133575
-21.22513046 6.40875980 28.56353739
-0.00034458 0.00105780 0.00001338
-0.01317922 0.00739930 0.00065730
-9.11647422 2.27959737 -16.91820645
0.00041721 0.00045706 -0.00075404
0.03007664 -0.02127442 0.03956286
-6.37960263 1.03497835 -15.51209602
0.00099283 0.00013017 -0.00022771
-0.04141618 0.00425603 -0.00472370
-1.45113147 22.71412956 -14.17857284
0.00034300 0.00074362 0.00015723
0.01366623 -0.02080056 0.01075532
1.29259889 22.87610911 -13.05225658
0.00048128 0.00015457 -0.00025361
0.00795515 -0.00299326 -0.00299927
3.44724189 -6.90355057 -17.91502448
0.00021420 0.00055332 -0.00001993
-0.01274849 -0.00482738 -0.01226242
4.59089621 -4.18095128 -17.65272046
0.00025874 0.00008746 0.00051838
-0.00304708 0.00562674 -0.00223228
13.39584708 5.48956422 2.84648769
0.00029781 -0.00014672 -0.00013969
-0.00382560 0.00057995 0.01068158
14.39352779 6.34265018 5.54095673
-0.00039416 0.00025058 -0.00009140
-0.02829411 -0.02467929 -0.02054740
-3.64901760 -2.32629839 -23.88285166
0.00025608 0.00003030 -0.00014626
0.00342527 -0.00045011 0.00006893
-0.83492593 -2.21002930 -22.91927256
0.00008147 0.00000631 -0.00021433
-0.00912332 -0.00803298 -0.00204727
-0.84697438 -9.29408438 20.32466641
0.00054001 0.00000156 -0.00041534
0.01904873 -0.00370612 0.00233909
2.00871477 -8.28022517 19.72877691
-0.00015941 -0.00002676 0.00001823
-0.01845490 -0.01748986 -0.00396234
7.04709326 11.18091533 12.65636832
0.00047500 -0.00004598 0.00034451
0.00021522 0.00712390 -0.00947136
7.62409739 13.63170893 10.98110353
0.00034122 0.00011440 -0.00051044
-0.00615351 0.00362965 0.00448850
-1.74397564 -0.94580526 13.50816668
0.00024794 -0.00024882 0.00059935
0.00203968 0.00977447 0.00120274
-2.08017396 -1.29186143 16.34453888
-0.00028874 -0.00161165 0.00076588
0.00165174 -0.01518842 0.02129344
20.14287311 7.77698161 -6.07239340
-0.00005282 0.00030236 -0.00020853
-0.01461692 0.02639497 -0.00745035
20.02100303 10.50158977 -7.25204183
-0.00039537 0.00004176 -0.00022856
0.00708037 0.00590667 -0.00428011
18.95058438 17.97777110 5.64142988
0.00000792 -0.00079873 -0.00086922
-0.00126779 -0.01103632 0.00922430
19.49701913 19.61233955 3.29261430
-0.00116006 -0.00065063 -0.00023702
-0.01000703 0.00131509 0.00926973
-13.43061383 -10.60436830 5.01266533
0.00015591 0.00027629 0.00003004
0.01580535 -0.01347517 -0.01179488
-12.03897498 -11.99292354 2.72181539
-0.00021098 0.00021776 -0.00007940
-0.00685189 -0.00073134 0.02133655
-9.27122994 -34.57901161 5.68611285
-0.00018826 0.00052858 0.00055956
0.03383029 -0.01148942 -0.00543085
-7.36752606 -35.46456399 3.75502310
-0.00111394 0.00007012 0.00051778
0.00718396 -0.00992496 -0.03015096
-10.64970130 -29.58791705 21.30863336
-0.00001578 -0.00126282 -0.00066871
-0.01692015 0.01414922 0.01219672
-12.54991875 -27.14882946 21.83930413
0.00014910 0.00005741 -0.00046435
0.00819042 -0.02283814 0.00148151
-14.61337896 -23.62422258 -3.10131889
-0.00001932 -0.00004649 -0.00022515
-0.00126150 -0.00006280 0.00410219
-13.36509174 -23.25572068 -0.36609964
-0.00060902 0.00024116 -0.00091127
-0.00410442 0.01408977 0.02010861
-2.87473237 13.79227774 23.87059278
0.00004801 0.00017377 0.00036071
0.00925765 -0.02025521 0.02216293
-3.13744160 16.44937751 22.87003758
-0.00024183 0.00008486 -0.00082737
-0.00140233 -0.01739803 -0.00506804
6.09434190 -13.65925793 3.26988003
-0.00000670 0.00002637 -0.00096049
-0.02745038 0.00974304 -0.00353730
5.37184501 -11.10785726 2.14051624
0.00059801 0.00082448 0.00048558
-0.00467563 0.00539171 0.00001072
-7.37477819 4.55379464 -9.60010323
0.00027534 -0.00082872 -0.00067069
0.00452789 0.01920839 -0.00905459
-5.98702280 2.01437460 -9.33901134
0.00014414 0.00060846 0.00032662
-0.01404771 0.00430083 0.00778558
-17.12930616 4.99447643 -11.11381457
-0.00077608 0.00049266 -0.00046455
-0.03668404 -0.00721944 0.00496150
-19.68715200 6.53155917 -11.59416085
0.00048832 -0.00081527 0.00103802
-0.00397587 0.00840107 -0.00826653
-19.54872103 -13.85711571 -0.75070333
-0.00054922 0.00014260 0.00031430
-0.00692646 0.00906342 -0.00202622
-21.25697925 -12.41853660 -2.98073902
-0.00040345 -0.00021730 -0.00058969
0.00707959 -0.00115030 0.01886411
-13.09866402 8.87152659 6.84839759
-0.00000250 -0.00026019 -0.00014363
0.00030150 -0.00573588 0.01208062
-14.36315114 9.44283665 9.45907336
-0.00024727 0.00000189 0.00054627
0.00021136 0.00884836 0.00388449
-7.19828517 -12.30695557 18.34998771
0.00009493 -0.00096847 -0.00012903
0.02644830 -0.01384376 -0.00187650
-9.50095905 -10.69569017 18.00398762
0.00059615 0.00068853 -0.00013932
-0.00141392 -0.01249102 0.01163413
15.38462767 1.15966093 20.15126931
0.00056935 0.00123807 -0.00027565
0.00184244 0.00765713 0.01017203
15.78244394 2.81233939 17.81513569
-0.00098408 0.00051940 0.00031693
0.00353622 0.00656141 -0.00887938
14.25305861 -18.42756218 21.14081714
0.00082361 0.00077868 -0.00010869
-0.00079803 -0.00349830 0.00774732
11.77513759 -16.94661661 21.61712537
-0.00088275 -0.00078314 -0.00044333
0.01140251 0.00154695 0.00682919
7.87126237 16.38218790 5.90476352
0.00043183 -0.00012759 -0.00045061
-0.00181846 -0.00297320 -0.01694059
10.23590481 16.93876469 4.40008023
0.00105540 -0.00050560 0.00040264
0.02754751 0.01741459 0.00030869
4.47106004 20.15686991 -3.72360341
0.00093826 -0.00012818 0.00007267
0.00699595 0.00731447 -0.01539599
4.11084808 18.06907122 -1.72070200
-0.00008037 -0.00002738 0.00077293
-0.01553248 0.00864348 -0.01363935
-0.10300582 -27.84003601 -4.49734891
-0.00029318 -0.00039577 0.00082504
-0.01510486 0.01379555 -0.00955425
-0.46745380 -28.09665813 -7.28576596
0.00070654 0.00027014 -0.00062058
-0.00566928 0.00443089 0.00393952
4.88616059 1.03494128 7.42875864
0.00006394 -0.00057452 -0.00004027
-0.00588534 -0.01368167 0.00781563
4.60661585 1.81729951 10.22213984
-0.00094556 0.00065620 0.00016479
-0.00139658 0.00660941 0.00368062
-11.05968691 9.36006564 -5.87966123
-0.00015026 0.00054770 0.00025568
0.00500077 0.00279978 0.00664524
-12.01778611 6.90480170 -7.13815854
0.00006264 -0.00030089 0.00036629
-0.01185707 0.01703481 0.01359158
-12.79303548 -9.28363633 -8.92944659
-0.00010301 -0.00025473 -0.00002318
0.00357687 -0.00406895 -0.00709777
-11.63337686 -6.84181828 -7.70464643
-0.00039684 -0.00001119 -0.00036490
-0.01551436 -0.00883735 0.00017747
2.01019717 8.56093835 8.15773632
-0.00028336 -0.00077236 0.00047066
-0.00550212 -0.00897625 -0.01492275
4.65285317 9.75532670 8.70791899
-0.00086906 -0.00068385 -0.00060677
0.02099525 0.00569308 -0.00967552
18.47148884 -9.44429835 6.57619471
-0.00040918 0.00032837 -0.00033072
-0.00042757 0.01138503 0.00139939
21.18637693 -8.82327949 7.44394665
0.00019219 -0.00021724 0.00009667
0.01335845 -0.00160046 0.00568968
-22.84390712 25.10986538 -7.94744418
-0.00081603 -0.00009034 0.00003108
0.01934111 0.00845791 0.00248118
-20.59514926 27.07129320 -8.76366374
-0.00044565 -0.00036125 0.00018752
0.00533150 0.00986934 -0.02440420
13.02230431 -2.58852701 14.39178440
0.00004279 -0.00091428 -0.00038084
0.00478172 0.00266781 -0.01500922
14.64468777 -5.01150215 13.47874952
-0.00052058 0.00022461 0.00015112
-0.00723189 0.01355344 0.01174467
-10.98851170 11.19306971 -1.34731489
-0.00069938 0.00021862 -0.00178756
0.05834135 -0.02206292 -0.04056201
-13.21955192 12.87790851 -1.29757349
-0.00068926 0.00050732 0.00022759
0.00464346 -0.01049464 0.01447243
12.38438180 19.36567065 -20.90503191
0.00046929 0.00057217 -0.00036389
-0.00472994 0.00271581 0.03006081
13.97141634 20.26382808 -18.61248351
-0.00015924 0.00087728 -0.00055673
0.00858359 -0.00269077 0.00782026
10.81161751 -0.91684222 3.92432372
-0.00017203 0.00069633 0.00043154
0.00715681 0.01362283 0.00149174
10.90002658 2.13215855 3.72040015
0.00037168 -0.00008409 -0.00031550
0.02412745 0.02833672 0.01714508
3.21637459 -30.07538386 13.00336655
-0.00083326 -0.00119184 -0.00026581
-0.00619913 0.00658416 0.00020989
0.89303156 -28.42400590 12.17141606
0.00075846 -0.00025824 -0.00032141
-0.00312470 0.01521240 -0.01810040
-13.21549012 28.82957970 10.83378713
-0.00063047 0.00036664 -0.00067875
-0.00038989 0.00101056 -0.00590543
-13.33442786 26.10779929 12.03257534
-0.00086478 0.00056118 -0.00077685
0.00824562 -0.01208594 -0.00505651
6.79680940 -7.13904825 0.98538780
0.00088139 -0.00094644 -0.00085365
0.02063497 0.00255895 0.00786880
5.84531518 -8.62510684 -1.49600937
0.00006757 0.00021317 -0.00076284
0.01012860 0.00258078 0.00186746
-15.39889542 9.53502297 -7.23048346
0.00092256 -0.00063731 0.00032604
0.01092279 -0.00210088 0.00487415
-18.03813410 8.43294198 -7.17738756
-0.00036109 -0.00023616 0.00068838
0.00039045 0.00872690 -0.00616379
15.75222951 8.38296278 23.58614670
-0.00011841 -0.00008713 0.00031156
-0.01055974 -0.00391590 -0.00347128
18.32226747 9.71117617 23.80785754
-0.00010167 -0.00071784 0.00026237
0.00660850 0.00203544 0.00686246
-17.48521398 12.50264233 17.89591452
-0.00072290 -0.00127511 -0.00077661
0.00985526 0.00510152 0.00334867
-15.38236353 14.66018888 17.95152052
-0.00108341 -0.00049286 0.00000811
-0.00866027 -0.00755987 0.00394817
18.37029621 -5.77100237 -4.30470094
-0.00121733 -0.00091381 -0.00061601
-0.02159794 0.01043315 0.00802280
16.16492847 -4.42568150 -5.64002022
0.00042288 -0.00017735 0.00100886
-0.00445714 -0.00441892 0.00635152
-10.02095770 1.43283767 -10.41766080
-0.00029125 0.00023849 -0.00041720
0.00790552 -0.00618127 -0.00826770
-10.34994769 0.31991486 -13.12361363
0.00043250 0.00007224 0.00028393
0.02290382 0.00552313 -0.03184080
-5.87552231 -14.40131172 -17.35821569
0.00045407 -0.00060384 -0.00056774
-0.00770211 0.03482615 -0.00774281
-5.95299287 -16.17253819 -15.12899287
0.00089300 0.00099033 -0.00004945
-0.00357445 -0.00010159 0.04611094
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.49507741
-170.49507768
-170.49507787
-170.49507770
-170.49507761
-170.49507746
-170.49507741
-170.49507736
-170.49507735
-170.49507734
-1100.48216522
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.49623417
-170.49623421
-1100.48216068
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.75681743
-170.49647834
-170.49647838
-1100.48216112
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.78151630 0.32680826
-170.49603107
-170.49603108
-1100.48216148
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.84173964 0.10201663 -0.01209151
-170.49569631
-170.49569631
-1100.48216157
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.63414736 0.41120386 -0.06020397
-170.49581713
-170.49581713
-1100.48216159
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.20806069 -0.92269712 0.28842381
-170.49584268
-170.49584268
-1100.48216161
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = 0.02268642 0.20110434 -0.11144795
-170.49578094
-170.49578094
-1100.48216161
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.30112850 -0.03405527 -0.08298831
-170.49576470
-170.49576470
-1100.48216161
BOSampleStepper: end scf iteration
805.44165721
0.00000000
-1310.37172676
126.97240273
-450.86078007
-271.66370818
95.02198585
646.81841729
0.00000000
0.00000000
-1100.48215506
0.00000000
0.00011963
-1100.48203543
-6.6021823100 -9.9411551500 0.5747760400
4.4551134331 -4.3327682825 -1.7710449945
-2.1470688769 9.1860765675 -1.1962689545
-6.72780369 -7.78325570 -11.38103946
0.00001930 0.00022828 -0.00019833
0.01230305 -0.00707109 0.05695146
-6.41671762 -15.96779465 12.44921571
0.00005541 0.00000467 0.00014604
0.01508992 0.00175758 0.00693311
-24.99007265 10.04932164 1.68760674
0.00009310 -0.00021380 0.00013712
-0.01287171 0.00782759 -0.00345584
-17.85325632 6.11100251 28.86575942
-0.00014009 0.00010212 -0.00018350
0.00394060 -0.02855562 -0.01982990
1.83021514 -23.45332031 -0.35234986
0.00003857 0.00008036 -0.00022650
-0.00900193 0.01583927 -0.00317574
13.25533595 -11.55903847 -11.66557491
0.00008715 0.00013731 -0.00014740
0.02123865 0.00489390 0.03605980
20.42239738 -19.56123435 4.31932157
0.00044167 -0.00009733 0.00015490
0.00855560 -0.00369256 -0.03487907
-40.72628722 16.48811140 11.05651283
-0.00000054 0.00020821 0.00005181
-0.01804129 0.01271234 -0.00904511
19.98383533 -23.53088866 7.45251386
-0.00007577 0.00012912 0.00009976
-0.02551719 0.00016327 -0.01957540
-17.10041548 -0.21126739 17.85374461
0.00015818 -0.00034993 -0.00019645
0.00457641 0.00361024 -0.01127776
-1.91904288 13.36531220 14.20386954
-0.00012872 0.00000407 0.00021906
-0.01435650 -0.01484070 -0.02123156
7.23272404 -1.90283331 -10.70179413
0.00000316 0.00007056 0.00030374
0.00254461 -0.01648052 0.02574204
0.52064480 -9.95527325 -14.61961699
-0.00003765 -0.00017449 -0.00034093
-0.01069722 0.03391037 0.00175118
5.18603417 -0.65377146 4.01412669
-0.00000844 -0.00005953 -0.00002486
0.00266365 -0.00421681 0.01530312
-0.61070019 6.40485586 18.59516363
-0.00035872 -0.00004314 0.00044866
0.00898581 0.01186284 0.01096604
1.12749479 15.21239811 -20.11097547
0.00011246 0.00009507 -0.00014300
-0.01000005 -0.02089806 0.00786314
20.60306837 -19.68849918 -1.10026976
-0.00005928 0.00038561 -0.00016217
-0.01673280 -0.02552371 0.03240989
16.44098729 -1.18166067 -24.26567499
0.00008925 0.00001796 -0.00035778
-0.00258819 -0.01070589 0.03035861
-22.96863699 7.04206685 28.86608900
0.00002162 -0.00000539 0.00023057
0.01625511 -0.00048706 0.00746220
-8.36545655 1.26035198 -15.39047602
-0.00019224 0.00000791 0.00008742
0.01138831 0.01426320 -0.04110982
-0.17060406 21.78330813 -13.01549879
0.00003058 0.00007744 -0.00004828
-0.01793292 0.00556349 0.00003391
4.58089330 -5.86326009 -16.91599131
-0.00029753 0.00016192 0.00014321
0.00480008 0.00186682 0.00662294
12.97906467 5.30182791 4.66645295
-0.00009495 -0.00015714 -0.00016289
0.02893302 0.00609717 0.00513363
-2.32871824 -3.34852016 -23.06230158
0.00018158 -0.00012945 -0.00008542
0.00374913 0.00391514 0.00943354
0.85660256 -9.77276728 19.58104673
0.00002964 -0.00003582 0.00000533
-0.00164594 0.02577946 0.00359639
7.64014761 11.79073096 10.98849191
-0.00024783 -0.00015688 0.00011330
-0.00851302 -0.02165200 0.00381101
-2.19032325 -0.01148912 15.07692950
0.00022521 0.00001974 0.00027761
-0.01472637 0.01981214 -0.03513843
18.90571010 9.13952435 -6.73581290
0.00024709 0.00018046 0.00022790
0.02347998 -0.02569845 0.00104889
18.31136860 19.49621078 4.78044766
0.00007138 -0.00002677 0.00032434
0.00413040 0.01291855 -0.02206019
-12.27014540 -12.08769891 4.64765184
0.00005363 0.00013844 0.00025191
-0.01544189 0.01113651 -0.00394304
-7.33710869 -34.87896237 5.46164541
0.00003556 0.00004643 0.00003736
-0.03491929 0.01091676 0.03202971
-12.08556925 -28.96645377 22.35681359
0.00005938 -0.00010453 0.00011497
0.01218841 0.01044668 -0.00624566
-13.37067967 -24.23787957 -1.86668255
-0.00008901 0.00021375 0.00040180
-0.00332251 -0.00601477 -0.02788770
-3.37624509 14.63845835 22.37911084
0.00012938 0.00033050 -0.00005679
-0.00660571 0.04307220 -0.01490199
4.56656049 -12.62833029 2.80172584
-0.00010129 0.00006588 0.00025816
0.04173524 -0.01924748 0.00740442
-7.60003790 2.87660114 -8.89240306
-0.00026672 -0.00003570 0.00002517
0.01459389 -0.02115342 0.01241360
-19.12902280 4.91148288 -10.96731886
-0.00007110 -0.00015529 -0.00002369
0.05013036 0.00456410 -0.01605526
-20.88996725 -14.00902431 -2.01009732
0.00012813 -0.00002582 -0.00010566
-0.00800562 -0.01110761 -0.02115392
-13.57557353 8.07333176 8.49567961
0.00020977 0.00001177 0.00002272
-0.00572259 -0.00892670 -0.02165172
-8.92103096 -12.27002106 18.85398614
-0.00006913 0.00034872 0.00018421
-0.02630523 0.03349996 -0.00853371
15.87882047 2.86875296 19.65964372
-0.00003335 -0.00023739 0.00020242
0.01117943 -0.00848034 -0.00122403
13.36083325 -17.42274330 22.46148497
0.00018303 -0.00010545 -0.00017529
-0.01239104 0.00609047 -0.01090102
8.84628481 15.82512205 4.40102247
0.00014954 0.00018748 -0.00001567
-0.02891370 -0.00851382 0.01664033
3.18512074 19.02008189 -3.11211113
-0.00020974 0.00009095 -0.00014652
0.00757658 -0.01834485 0.02230277
-1.37543971 -27.34816366 -5.81767632
-0.00013055 -0.00001317 -0.00014021
0.01753467 -0.04433229 0.00989028
4.56383321 0.33648129 9.13329886
0.00018576 -0.00003494 -0.00031918
0.01062087 0.01726129 -0.01157161
-12.56761831 8.28467331 -5.97620528
-0.00011029 -0.00003385 -0.00013692
-0.00043681 -0.02744687 -0.01454902
-12.85041198 -8.27420361 -7.41075431
0.00001313 0.00009959 -0.00036083
0.02593366 0.01146131 0.00717541
3.03666507 9.42831050 9.39414922
0.00035266 -0.00020169 0.00000458
-0.01648513 -0.01361129 0.02799350
19.53473623 -8.06049036 7.30578192
0.00044971 0.00008204 -0.00010192
-0.01738113 -0.00768022 -0.01274742
-21.21721703 26.01370817 -7.43834291
-0.00021539 -0.00016818 0.00006571
-0.03395832 -0.02634746 0.04372718
13.76225771 -4.17550335 14.92205676
-0.00018659 0.00005490 0.00000064
0.01146895 -0.02174825 0.00204979
-12.23809114 11.66562001 -0.26209740
-0.00003420 -0.00007194 0.00009810
-0.06400474 0.02641349 0.02333538
12.24529859 19.80697143 -19.00923009
0.00007696 -0.00000866 0.00009787
-0.00002889 -0.00808044 -0.04816765
10.01991057 0.66984450 3.27241668
0.00029633 0.00014945 0.00017363
-0.03149472 -0.03686562 -0.01173734
1.56189431 -29.40371583 13.52722555
-0.00016636 0.00017174 -0.00012292
0.01030220 -0.01268938 0.01536600
-13.95857387 27.81284385 12.17390799
-0.00023606 -0.00009709 -0.00024722
-0.01649564 0.02123981 0.00542922
5.37446087 -7.89189264 0.17631912
-0.00008381 -0.00014581 0.00018663
-0.02355281 -0.00939502 -0.01646251
-17.13813204 9.95445471 -7.72313274
0.00009759 -0.00000321 0.00015198
-0.00891202 -0.01341035 -0.00704410
16.62217605 9.71781743 24.48655414
-0.00008495 -0.00026223 -0.00021915
0.00211560 0.00318194 -0.00109687
-16.71150568 13.80963276 18.98056411
-0.00000522 -0.00016402 -0.00007151
-0.00304555 0.00599333 0.00913252
16.60410910 -5.16932800 -3.98693390
0.00006025 -0.00011471 -0.00008879
0.02092099 0.00016601 -0.02350795
-10.96969594 0.19142891 -11.44918780
0.00009524 -0.00017056 0.00005053
-0.04187332 -0.00302875 0.05151905
-5.61987014 -16.09559394 -16.85686538
-0.00004508 0.00015994 -0.00015188
0.01187965 -0.03507791 -0.02798201
-5.16727135 -8.41112872 -10.47682973
-0.00027721 -0.00026771 -0.00091698
-0.01795310 0.00968373 -0.00385264
-6.01223031 -7.59618399 -12.97862598
-0.00057010 0.00082295 0.00195452
0.01635255 0.00672102 -0.05158500
-7.98725827 -15.04359036 12.30193317
0.00032547 -0.00106407 0.00043363
-0.00199512 0.01096893 0.00409196
-5.39293444 -15.23106113 13.94605511
-0.00062579 0.00078089 -0.00062302
-0.02329549 -0.00630317 -0.01562355
-24.52919109 9.19141748 3.30137309
-0.00039646 -0.00035788 0.00033864
0.00898581 -0.00111548 -0.02024829
-23.82971442 9.54189419 0.31743243
0.00013390 -0.00023761 0.00021883
0.00271168 0.00024974 0.01710111
-17.18325562 4.53993080 28.03401820
0.00071344 0.00041397 -0.00020653
-0.00800845 0.02669276 0.01551770
-16.61654829 6.59250825 30.13312903
-0.00121386 0.00062359 -0.00008746
0.01145727 -0.00171560 0.00525924
0.60086151 -22.20674233 -1.03243284
-0.00052976 0.00011113 0.00009128
0.01097589 -0.00895402 0.00795221
2.16237083 -24.63038169 -1.71291612
-0.00002794 -0.00078589 -0.00040613
0.00165389 -0.00501427 -0.00471255
14.82312722 -10.53392778 -11.29198329
-0.00045554 -0.00015503 0.00048783
-0.02276732 -0.00621850 -0.02176856
12.94223861 -11.67673530 -13.42634381
-0.00029279 0.00073695 -0.00023449
0.00310808 0.00302429 -0.01730900
19.50602682 -18.28326116 5.31192687
-0.00002754 -0.00069721 0.00118526
-0.01317067 0.00625833 -0.00603884
19.97029304 -19.37842890 2.44512443
-0.00060783 -0.00013615 -0.00005329
0.01226541 -0.00071622 0.03119034
-41.68245843 16.93298867 9.47207925
0.00097869 -0.00023079 0.00017012
0.01289003 -0.00247567 0.00566142
-40.39753736 18.14765447 11.80050609
0.00003917 -0.00018689 -0.00020531
0.00818361 0.00235356 0.00362934
19.27108301 -25.04452788 6.42838760
-0.00020139 -0.00067862 -0.00017101
0.01140521 0.01162886 0.00719138
20.45033508 -22.18449624 6.22304822
-0.00039995 0.00100348 0.00043075
-0.00407619 -0.00655380 -0.00100849
-16.53961143 -0.89312471 16.23010534
0.00071350 0.00025343 -0.00039956
-0.00280042 -0.00625895 0.00240872
-18.07546236 1.23617349 17.18348874
-0.00024641 -0.00064930 0.00006041
-0.00852340 -0.00854099 0.01143782
-0.89341507 13.11163506 12.68021587
0.00030594 0.00003847 0.00025498
-0.00678840 0.00411756 0.00091584
-0.76274953 14.09137830 15.35295256
0.00021005 -0.00063375 0.00074228
0.01717892 0.01356885 0.01877576
6.69877434 -1.35705092 -12.35454928
0.00051467 -0.00016335 0.00017529
-0.00250715 0.01343412 -0.01395453
9.02746075 -1.61211816 -10.48925225
-0.00004389 0.00078906 -0.00012805
0.00293648 0.00293185 -0.01366178
1.58224956 -8.51177392 -14.24359291
-0.00023188 -0.00031665 0.00007866
-0.00440116 0.00163134 -0.00132646
1.55332795 -11.36751288 -14.17733395
-0.00023271 -0.00024829 0.00098718
0.01729199 -0.02894639 0.00215974
4.22360802 -0.43066490 2.48763323
-0.00058692 0.00073848 0.00032056
-0.00369446 0.00345029 -0.01054484
6.98694512 -0.48250203 3.63769307
0.00130929 -0.00024660 -0.00001179
-0.00234361 0.00788242 -0.00584031
0.38101335 5.15961588 17.65840903
0.00009516 0.00040598 0.00005290
0.00619046 -0.00749062 -0.00485265
0.64680880 7.46605538 19.52220265
-0.00005815 0.00059081 -0.00052554
-0.00621036 -0.00757674 -0.00272080
2.16309357 15.03030768 -21.58798015
0.00056319 -0.00011750 -0.00130550
0.01153208 0.00916274 -0.01186513
0.74553729 13.39692690 -19.86724554
-0.00065699 -0.00050957 0.00021177
-0.00169995 0.01363593 0.00562320
19.13683424 -20.35739196 -1.99898274
-0.00000243 -0.00055491 -0.00003901
-0.00447973 -0.00096459 0.00204533
21.46739081 -18.84711416 -2.41407359
-0.00004686 0.00036351 0.00054010
0.01970391 0.02487110 -0.02396639
15.92967362 -2.69353277 -25.21348788
-0.00043297 -0.00058513 0.00028645
0.00613917 -0.00545331 0.00283940
16.35448657 -1.62615444 -22.42870251
0.00090419 0.00034610 0.00025323
-0.00388346 0.00502841 -0.02859377
-24.13812976 5.61738075 28.50742550
0.00003076 0.00061778 0.00085610
0.00590637 0.00007428 -0.00139673
-21.22513046 6.40875980 28.56353739
-0.00034458 0.00105780 0.00001338
-0.01317609 0.00732209 0.00058495
-9.11647422 2.27959737 -16.91820645
0.00041721 0.00045706 -0.00075404
0.03008194 -0.02132915 0.03948006
-6.37960263 1.03497835 -15.51209602
0.00099283 0.00013017 -0.00022771
-0.04146407 0.00420306 -0.00479461
-1.45113147 22.71412956 -14.17857284
0.00034300 0.00074362 0.00015723
0.01370716 -0.02089751 0.01072161
1.29259889 22.87610911 -13.05225658
0.00048128 0.00015457 -0.00025361
0.00795365 -0.00306838 -0.00306939
3.44724189 -6.90355057 -17.91502448
0.00021420 0.00055332 -0.00001993
-0.01269646 -0.00485070 -0.01228229
4.59089621 -4.18095128 -17.65272046
0.00025874 0.00008746 0.00051838
-0.00305115 0.00558671 -0.00230944
13.39584708 5.48956422 2.84648769
0.00029781 -0.00014672 -0.00013969
-0.00382238 0.00051060 0.01064654
14.39352779 6.34265018 5.54095673
-0.00039416 0.00025058 -0.00009140
-0.02826549 -0.02473438 -0.02060029
-3.64901760 -2.32629839 -23.88285166
0.00025608 0.00003030 -0.00014626
0.00341936 -0.00051957 0.00000207
-0.83492593 -2.21002930 -22.91927256
0.00008147 0.00000631 -0.00021433
-0.00910539 -0.00809438 -0.00211996
-0.84697438 -9.29408438 20.32466641
0.00054001 0.00000156 -0.00041534
0.01899764 -0.00377504 0.00230522
2.00871477 -8.28022517 19.72877691
-0.00015941 -0.00002676 0.00001823
-0.01844293 -0.01754550 -0.00403287
7.04709326 11.18091533 12.65636832
0.00047500 -0.00004598 0.00034451
0.00021372 0.00702916 -0.00951384
7.62409739 13.63170893 10.98110353
0.00034122 0.00011440 -0.00051044
-0.00616639 0.00362588 0.00440409
-1.74397564 -0.94580526 13.50816668
0.00024794 -0.00024882 0.00059935
0.00201142 0.00971337 0.00120706
-2.08017396 -1.29186143 16.34453888
-0.00028874 -0.00161165 0.00076588
0.00164580 -0.01524942 0.02120521
20.14287311 7.77698161 -6.07239340
-0.00005282 0.00030236 -0.00020853
-0.01462181 0.02632739 -0.00752917
20.02100303 10.50158977 -7.25204183
-0.00039537 0.00004176 -0.00022856
0.00708974 0.00584931 -0.00435293
18.95058438 17.97777110 5.64142988
0.00000792 -0.00079873 -0.00086922
-0.00127379 -0.01107770 0.00912668
19.49701913 19.61233955 3.29261430
-0.00116006 -0.00065063 -0.00023702
-0.01003425 0.00123029 0.00925131
-13.43061383 -10.60436830 5.01266533
0.00015591 0.00027629 0.00003004
0.01577375 -0.01348772 -0.01186872
-12.03897498 -11.99292354 2.72181539
-0.00021098 0.00021776 -0.00007940
-0.00685913 -0.00080797 0.02137016
-9.27122994 -34.57901161 5.68611285
-0.00018826 0.00052858 0.00055956
0.03385141 -0.01156657 -0.00549875
-7.36752606 -35.46456399 3.75502310
-0.00111394 0.00007012 0.00051778
0.00716380 -0.00995203 -0.03014326
-10.64970130 -29.58791705 21.30863336
-0.00001578 -0.00126282 -0.00066871
-0.01692213 0.01408498 0.01212720
-12.54991875 -27.14882946 21.83930413
0.00014910 0.00005741 -0.00046435
0.00816740 -0.02283321 0.00139788
-14.61337896 -23.62422258 -3.10131889
-0.00001932 -0.00004649 -0.00022515
-0.00122409 -0.00014815 0.00406351
-13.36509174 -23.25572068 -0.36609964
-0.00060902 0.00024116 -0.00091127
-0.00409576 0.01403068 0.02009653
-2.87473237 13.79227774 23.87059278
0.00004801 0.00017377 0.00036071
0.00925631 -0.02031612 0.02208109
-3.13744160 16.44937751 22.87003758
-0.00024183 0.00008486 -0.00082737
-0.00139882 -0.01742712 -0.00513465
6.09434190 -13.65925793 3.26988003
-0.00000670 0.00002637 -0.00096049
-0.02744404 0.00967637 -0.00361040
5.37184501 -11.10785726 2.14051624
0.00059801 0.00082448 0.00048558
-0.00467505 0.00533317 -0.00006039
-7.37477819 4.55379464 -9.60010323
0.00027534 -0.00082872 -0.00067069
0.00453936 0.01918425 -0.00914243
-5.98702280 2.01437460 -9.33901134
0.00014414 0.00060846 0.00032662
-0.01405749 0.00424259 0.00771810
-17.12930616 4.99447643 -11.11381457
-0.00077608 0.00049266 -0.00046455
-0.03670633 -0.00728029 0.00489643
-19.68715200 6.53155917 -11.59416085
0.00048832 -0.00081527 0.00103802
-0.00397522 0.00833869 -0.00833708
-19.54872103 -13.85711571 -0.75070333
-0.00054922 0.00014260 0.00031430
-0.00690973 0.00898882 -0.00204371
-21.25697925 -12.41853660 -2.98073902
-0.00040345 -0.00021730 -0.00058969
0.00705463 -0.00118414 0.01877540
-13.09866402 8.87152659 6.84839759
-0.00000250 -0.00026019 -0.00014363
0.00029527 -0.00580872 0.01202397
-14.36315114 9.44283665 9.45907336
-0.00024727 0.00000189 0.00054627
0.00016893 0.00885205 0.00387403
-7.19828517 -12.30695557 18.34998771
0.00009493 -0.00096847 -0.00012903
0.02641708 -0.01389691 -0.00193050
-9.50095905 -10.69569017 18.00398762
0.00059615 0.00068853 -0.00013932
-0.00141425 -0.01255324 0.01157402
15.38462767 1.15966093 20.15126931
0.00056935 0.00123807 -0.00027565
0.00184056 0.00758654 0.01008670
15.78244394 2.81233939 17.81513569
-0.00098408 0.00051940 0.00031693
0.00352990 0.00647639 -0.00886890
14.25305861 -18.42756218 21.14081714
0.00082361 0.00077868 -0.00010869
-0.00086561 -0.00348276 0.00773590
11.77513759 -16.94661661 21.61712537
-0.00088275 -0.00078314 -0.00044333
0.01140168 0.00147845 0.00675906
7.87126237 16.38218790 5.90476352
0.00043183 -0.00012759 -0.00045061
-0.00185630 -0.00304124 -0.01699935
10.23590481 16.93876469 4.40008023
0.00105540 -0.00050560 0.00040264
0.02756914 0.01736365 0.00023054
4.47106004 20.15686991 -3.72360341
0.00093826 -0.00012818 0.00007267
0.00699288 0.00725189 -0.01546688
4.11084808 18.06907122 -1.72070200
-0.00008037 -0.00002738 0.00077293
-0.01554239 0.00858274 -0.01371583
-0.10300582 -27.84003601 -4.49734891
-0.00029318 -0.00039577 0.00082504
-0.01508738 0.01372484 -0.00960597
-0.46745380 -28.09665813 -7.28576596
0.00070654 0.00027014 -0.00062058
-0.00570080 0.00438839 0.00391688
4.88616059 1.03494128 7.42875864
0.00006394 -0.00057452 -0.00004027
-0.00589147 -0.01373516 0.00780280
4.60661585 1.81729951 10.22213984
-0.00094556 0.00065620 0.00016479
-0.00139764 0.00658318 0.00364067
-11.05968691 9.36006564 -5.87966123
-0.00015026 0.00054770 0.00025568
0.00506678 0.00277392 0.00659550
-12.01778611 6.90480170 -7.13815854
0.00006264 -0.00030089 0.00036629
-0.01184121 0.01696774 0.01352484
-12.79303548 -9.28363633 -8.92944659
-0.00010301 -0.00025473 -0.00002318
0.00357351 -0.00411913 -0.00714907
-11.63337686 -6.84181828 -7.70464643
-0.00039684 -0.00001119 -0.00036490
-0.01548407 -0.00886896 0.00009686
2.01019717 8.56093835 8.15773632
-0.00028336 -0.00077236 0.00047066
-0.00546074 -0.00900405 -0.01494158
4.65285317 9.75532670 8.70791899
-0.00086906 -0.00068385 -0.00060677
0.02101461 0.00563726 -0.00973908
18.47148884 -9.44429835 6.57619471
-0.00040918 0.00032837 -0.00033072
-0.00036009 0.01136183 0.00136254
21.18637693 -8.82327949 7.44394665
0.00019219 -0.00021724 0.00009667
0.01335836 -0.00168397 0.00562196
-22.84390712 25.10986538 -7.94744418
-0.00081603 -0.00009034 0.00003108
0.01939816 0.00843165 0.00241857
-20.59514926 27.07129320 -8.76366374
-0.00044565 -0.00036125 0.00018752
0.00531326 0.00978866 -0.02446434
13.02230431 -2.58852701 14.39178440
0.00004279 -0.00091428 -0.00038084
0.00477988 0.00261345 -0.01509591
14.64468777 -5.01150215 13.47874952
-0.00052058 0.00022461 0.00015112
-0.00726948 0.01353158 0.01169998
-10.98851170 11.19306971 -1.34731489
-0.00069938 0.00021862 -0.00178756
0.05832432 -0.02211907 -0.04061512
-13.21955192 12.87790851 -1.29757349
-0.00068926 0.00050732 0.00022759
0.00464896 -0.01055490 0.01440534
12.38438180 19.36567065 -20.90503191
0.00046929 0.00057217 -0.00036389
-0.00471784 0.00266958 0.03004489
13.97141634 20.26382808 -18.61248351
-0.00015924 0.00087728 -0.00055673
0.00858839 -0.00275224 0.00775958
10.81161751 -0.91684222 3.92432372
-0.00017203 0.00069633 0.00043154
0.00712060 0.01362008 0.00140420
10.90002658 2.13215855 3.72040015
0.00037168 -0.00008409 -0.00031550
0.02414218 0.02830389 0.01708965
3.21637459 -30.07538386 13.00336655
-0.00083326 -0.00119184 -0.00026581
-0.00623211 0.00652645 0.00015297
0.89303156 -28.42400590 12.17141606
0.00075846 -0.00025824 -0.00032141
-0.00312808 0.01516470 -0.01818020
-13.21549012 28.82957970 10.83378713
-0.00063047 0.00036664 -0.00067875
-0.00038461 0.00094519 -0.00598148
-13.33442786 26.10779929 12.03257534
-0.00086478 0.00056118 -0.00077685
0.00822316 -0.01210995 -0.00513531
6.79680940 -7.13904825 0.98538780
0.00088139 -0.00094644 -0.00085365
0.02065576 0.00249445 0.00782151
5.84531518 -8.62510684 -1.49600937
0.00006757 0.00021317 -0.00076284
0.01010797 0.00255021 0.00189691
-15.39889542 9.53502297 -7.23048346
0.00092256 -0.00063731 0.00032604
0.01092414 -0.00216994 0.00481084
-18.03813410 8.43294198 -7.17738756
-0.00036109 -0.00023616 0.00068838
0.00039221 0.00866679 -0.00621478
15.75222951 8.38296278 23.58614670
-0.00011841 -0.00008713 0.00031156
-0.01051361 -0.00395501 -0.00352836
18.32226747 9.71117617 23.80785754
-0.00010167 -0.00071784 0.00026237
0.00662627 0.00195984 0.00678366
-17.48521398 12.50264233 17.89591452
-0.00072290 -0.00127511 -0.00077661
0.00986674 0.00511212 0.00332761
-15.38236353 14.66018888 17.95152052
-0.00108341 -0.00049286 0.00000811
-0.00868120 -0.00764374 0.00388590
18.37029621 -5.77100237 -4.30470094
-0.00121733 -0.00091381 -0.00061601
-0.02159592 0.01036516 0.00794672
16.16492847 -4.42568150 -5.64002022
0.00042288 -0.00017735 0.00100886
-0.00443222 -0.00449252 0.00630721
-10.02095770 1.43283767 -10.41766080
-0.00029125 0.00023849 -0.00041720
0.00796112 -0.00620333 -0.00828996
-10.34994769 0.31991486 -13.12361363
0.00043250 0.00007224 0.00028393
0.02286981 0.00543971 -0.03185647
-5.87552231 -14.40131172 -17.35821569
0.00045407 -0.00060384 -0.00056774
-0.00771208 0.03479396 -0.00782810
-5.95299287 -16.17253819 -15.12899287
0.00089300 0.00099033 -0.00004945
-0.00357072 -0.00017452 0.04607715
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
0
BOSampleStepper: start scf iteration
512.00000000
-170.49507124
-170.49507151
-170.49507170
-170.49507153
-170.49507143
-170.49507128
-170.49507123
-170.49507118
-170.49507117
-170.49507117
-1100.48215287
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
-170.49394597
-170.49394602
-1100.48214834
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.75798937
-170.49372654
-170.49372658
-1100.48214877
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.77513879 0.32430913
-170.49416821
-170.49416822
-1100.48214914
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.83516250 0.09384187 -0.00863640
-170.49449956
-170.49449956
-1100.48214923
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.83913676 0.52534007 -0.07240597
-170.49436711
-170.49436712
-1100.48214924
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.04700040 -0.95129684 0.29203202
-170.49435736
-170.49435736
-1100.48214926
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.03970751 0.22121302 -0.09625596
-170.49441698
-170.49441698
-1100.48214926
BOSampleStepper: end scf iteration
BOSampleStepper: start scf iteration
512.00000000
AndersonMixer: theta = -0.29021653 -0.02198786 -0.09321579
-170.49443063
-170.49443063
-1100.48214926
BOSampleStepper: end scf iteration
805.44475050
0.00000000
-1310.37261383
126.96859641
-450.85922376
-271.66366437
95.02198585
646.81841729
0.00000000
0.00000000
-1100.48215506
0.00000000
-0.00013628
-1100.48229134
-6.6021823100 -9.9411551500 0.5747760400
4.4526657947 -4.3320892377 -1.9376106076
-2.1495165153 9.1867556123 -1.3628345676
-6.72780369 -7.78325570 -11.38103946
0.00001930 0.00022828 -0.00019833
0.01228516 -0.00705378 0.05831615
-6.41671762 -15.96779465 12.44921571
0.00005541 0.00000467 0.00014604
0.01514577 0.00175424 0.00837422
-24.99007265 10.04932164 1.68760674
0.00009310 -0.00021380 0.00013712
-0.01288118 0.00780196 -0.00204061
-17.85325632 6.11100251 28.86575942
-0.00014009 0.00010212 -0.00018350
0.00396451 -0.02856964 -0.01848162
1.83021514 -23.45332031 -0.35234986
0.00003857 0.00008036 -0.00022650
-0.00901251 0.01583536 -0.00183209
13.25533595 -11.55903847 -11.66557491
0.00008715 0.00013731 -0.00014740
0.02125774 0.00491901 0.03739908
20.42239738 -19.56123435 4.31932157
0.00044167 -0.00009733 0.00015490
0.00854939 -0.00368605 -0.03344180
-40.72628722 16.48811140 11.05651283
-0.00000054 0.00020821 0.00005181
-0.01802817 0.01270878 -0.00761859
19.98383533 -23.53088866 7.45251386
-0.00007577 0.00012912 0.00009976
-0.02544841 0.00017361 -0.01817513
-17.10041548 -0.21126739 17.85374461
0.00015818 -0.00034993 -0.00019645
0.00458837 0.00359467 -0.00989322
-1.91904288 13.36531220 14.20386954
-0.00012872 0.00000407 0.00021906
-0.01435114 -0.01486289 -0.01984008
7.23272404 -1.90283331 -10.70179413
0.00000316 0.00007056 0.00030374
0.00258151 -0.01646053 0.02715619
0.52064480 -9.95527325 -14.61961699
-0.00003765 -0.00017449 -0.00034093
-0.01071915 0.03389732 0.00313007
5.18603417 -0.65377146 4.01412669
-0.00000844 -0.00005953 -0.00002486
0.00267822 -0.00420656 0.01667537
-0.61070019 6.40485586 18.59516363
-0.00035872 -0.00004314 0.00044866
0.00899518 0.01186656 0.01238634
1.12749479 15.21239811 -20.11097547
0.00011246 0.00009507 -0.00014300
-0.00998129 -0.02088038 0.00924077
20.60306837 -19.68849918 -1.10026976
-0.00005928 0.00038561 -0.00016217
-0.01676551 -0.02554543 0.03382234
16.44098729 -1.18166067 -24.26567499
0.00008925 0.00001796 -0.00035778
-0.00255772 -0.01065673 0.03170924
-22.96863699 7.04206685 28.86608900
0.00002162 -0.00000539 0.00023057
0.01633287 -0.00050297 0.00887338
-8.36545655 1.26035198 -15.39047602
-0.00019224 0.00000791 0.00008742
0.01136707 0.01425777 -0.03971994
-0.17060406 21.78330813 -13.01549879
0.00003058 0.00007744 -0.00004828
-0.01790512 0.00552658 0.00150876
4.58089330 -5.86326009 -16.91599131
-0.00029753 0.00016192 0.00014321
0.00479242 0.00187875 0.00807436
12.97906467 5.30182791 4.66645295
-0.00009495 -0.00015714 -0.00016289
0.02897941 0.00609000 0.00651981
-2.32871824 -3.34852016 -23.06230158
0.00018158 -0.00012945 -0.00008542
0.00370584 0.00390841 0.01081291
0.85660256 -9.77276728 19.58104673
0.00002964 -0.00003582 0.00000533
-0.00165421 0.02575347 0.00496621
7.64014761 11.79073096 10.98849191
-0.00024783 -0.00015688 0.00011330
-0.00851017 -0.02165461 0.00520383
-2.19032325 -0.01148912 15.07692950
0.00022521 0.00001974 0.00027761
-0.01472160 0.01979609 -0.03370642
18.90571010 9.13952435 -6.73581290
0.00024709 0.00018046 0.00022790
0.02351474 -0.02570936 0.00244791
18.31136860 19.49621078 4.78044766
0.00007138 -0.00002677 0.00032434
0.00413527 0.01289840 -0.02059471
-12.27014540 -12.08769891 4.64765184
0.00005363 0.00013844 0.00025191
-0.01544734 0.01111102 -0.00245530
-7.33710869 -34.87896237 5.46164541
0.00003556 0.00004643 0.00003736
-0.03487750 0.01096384 0.03342176
-12.08556925 -28.96645377 22.35681359
0.00005938 -0.00010453 0.00011497
0.01221586 0.01047317 -0.00484725
-13.37067967 -24.23787957 -1.86668255
-0.00008901 0.00021375 0.00040180
-0.00329452 -0.00603221 -0.02646574
-3.37624509 14.63845835 22.37911084
0.00012938 0.00033050 -0.00005679
-0.00666179 0.04305825 -0.01353979
4.56656049 -12.62833029 2.80172584
-0.00010129 0.00006588 0.00025816
0.04173826 -0.01926074 0.00881500
-7.60003790 2.87660114 -8.89240306
-0.00026672 -0.00003570 0.00002517
0.01463924 -0.02117471 0.01385026
-19.12902280 4.91148288 -10.96731886
-0.00007110 -0.00015529 -0.00002369
0.05009514 0.00455762 -0.01468511
-20.88996725 -14.00902431 -2.01009732
0.00012813 -0.00002582 -0.00010566
-0.00797777 -0.01110017 -0.01969878
-13.57557353 8.07333176 8.49567961
0.00020977 0.00001177 0.00002272
-0.00573465 -0.00891093 -0.02021941
-8.92103096 -12.27002106 18.85398614
-0.00006913 0.00034872 0.00018421
-0.02630748 0.03351996 -0.00720198
15.87882047 2.86875296 19.65964372
-0.00003335 -0.00023739 0.00020242
0.01117209 -0.00847639 0.00020345
13.36083325 -17.42274330 22.46148497
0.00018303 -0.00010545 -0.00017529
-0.01239740 0.00612284 -0.00949616
8.84628481 15.82512205 4.40102247
0.00014954 0.00018748 -0.00001567
-0.02893127 -0.00853450 0.01797894
3.18512074 19.02008189 -3.11211113
-0.00020974 0.00009095 -0.00014652
0.00758494 -0.01836407 0.02369157
-1.37543971 -27.34816366 -5.81767632
-0.00013055 -0.00001317 -0.00014021
0.01753435 -0.04436683 0.01129345
4.56383321 0.33648129 9.13329886
0.00018576 -0.00003494 -0.00031918
0.01063522 0.01724424 -0.01018881
-12.56761831 8.28467331 -5.97620528
-0.00011029 -0.00003385 -0.00013692
-0.00036877 -0.02745523 -0.01320132
-12.85041198 -8.27420361 -7.41075431
0.00001313 0.00009959 -0.00036083
0.02591327 0.01144639 0.00853210
3.03666507 9.42831050 9.39414922
0.00035266 -0.00020169 0.00000458
-0.01642581 -0.01360043 0.02932675
19.53473623 -8.06049036 7.30578192
0.00044971 0.00008204 -0.00010192
-0.01735424 -0.00769746 -0.01136129
-21.21721703 26.01370817 -7.43834291
-0.00021539 -0.00016818 0.00006571
-0.03400299 -0.02634963 0.04512718
13.76225771 -4.17550335 14.92205676
-0.00018659 0.00005490 0.00000064
0.01149101 -0.02176690 0.00338946
-12.23809114 11.66562001 -0.26209740
-0.00003420 -0.00007194 0.00009810
-0.06401127 0.02641205 0.02474670
12.24529859 19.80697143 -19.00923009
0.00007696 -0.00000866 0.00009787
-0.00001685 -0.00808210 -0.04679682
10.01991057 0.66984450 3.27241668
0.00029633 0.00014945 0.00017363
-0.03150581 -0.03685727 -0.01037931
1.56189431 -29.40371583 13.52722555
-0.00016636 0.00017174 -0.00012292
0.01025532 -0.01266646 0.01672555
-13.95857387 27.81284385 12.17390799
-0.00023606 -0.00009709 -0.00024722
-0.01647965 0.02121238 0.00674894
5.37446087 -7.89189264 0.17631912
-0.00008381 -0.00014581 0.00018663
-0.02355420 -0.00941399 -0.01499690
-17.13813204 9.95445471 -7.72313274
0.00009759 -0.00000321 0.00015198
-0.00891427 -0.01338030 -0.00562955
16.62217605 9.71781743 24.48655414
-0.00008495 -0.00026223 -0.00021915
0.00214309 0.00320878 0.00029979
-16.71150568 13.80963276 18.98056411
-0.00000522 -0.00016402 -0.00007151
-0.00307589 0.00602196 0.01055321
16.60410910 -5.16932800 -3.98693390
0.00006025 -0.00011471 -0.00008879
0.02091945 0.00020062 -0.02214025
-10.96969594 0.19142891 -11.44918780
0.00009524 -0.00017056 0.00005053
-0.04186328 -0.00303170 0.05295437
-5.61987014 -16.09559394 -16.85686538
-0.00004508 0.00015994 -0.00015188
0.01188926 -0.03507798 -0.02660830
-5.16727135 -8.41112872 -10.47682973
-0.00027721 -0.00026771 -0.00091698
-0.01798038 0.00969496 -0.00373251
-6.01223031 -7.59618399 -12.97862598
-0.00057010 0.00082295 0.00195452
0.01638975 0.00672015 -0.05151778
-7.98725827 -15.04359036 12.30193317
0.00032547 -0.00106407 0.00043363
-0.00200562 0.01098710 0.00422511
-5.39293444 -15.23106113 13.94605511
-0.00062579 0.00078089 -0.00062302
-0.02339047 -0.00635941 -0.01564348
-24.52919109 9.19141748 3.30137309
-0.00039646 -0.00035788 0.00033864
0.00894542 -0.00105320 -0.02018196
-23.82971442 9.54189419 0.31743243
0.00013390 -0.00023761 0.00021883
0.00276375 0.00024501 0.01718834
-17.18325562 4.53993080 28.03401820
0.00071344 0.00041397 -0.00020653
-0.00800434 0.02669141 0.01565470
-16.61654829 6.59250825 30.13312903
-0.00121386 0.00062359 -0.00008746
0.01142400 -0.00173315 0.00536108
0.60086151 -22.20674233 -1.03243284
-0.00052976 0.00011113 0.00009128
0.01098532 -0.00894507 0.00810452
2.16237083 -24.63038169 -1.71291612
-0.00002794 -0.00078589 -0.00040613
0.00167854 -0.00504524 -0.00457866
14.82312722 -10.53392778 -11.29198329
-0.00045554 -0.00015503 0.00048783
-0.02277832 -0.00622965 -0.02162728
12.94223861 -11.67673530 -13.42634381
-0.00029279 0.00073695 -0.00023449
0.00309838 0.00301074 -0.01716030
19.50602682 -18.28326116 5.31192687
-0.00002754 -0.00069721 0.00118526
-0.01311833 0.00619534 -0.00592296
19.97029304 -19.37842890 2.44512443
-0.00060783 -0.00013615 -0.00005329
0.01227786 -0.00073352 0.03119426
-41.68245843 16.93298867 9.47207925
0.00097869 -0.00023079 0.00017012
0.01283733 -0.00244307 0.00563021
-40.39753736 18.14765447 11.80050609
0.00003917 -0.00018689 -0.00020531
0.00817655 0.00231521 0.00375423
19.27108301 -25.04452788 6.42838760
-0.00020139 -0.00067862 -0.00017101
0.01136505 0.01150700 0.00728102
20.45033508 -22.18449624 6.22304822
-0.00039995 0.00100348 0.00043075
-0.00406200 -0.00646695 -0.00091084
-16.53961143 -0.89312471 16.23010534
0.00071350 0.00025343 -0.00039956
-0.00278539 -0.00628911 0.00247242
-18.07546236 1.23617349 17.18348874
-0.00024641 -0.00064930 0.00006041
-0.00855134 -0.00851850 0.01157743
-0.89341507 13.11163506 12.68021587
0.00030594 0.00003847 0.00025498
-0.00676311 0.00411684 0.00098455
-0.76274953 14.09137830 15.35295256
0.00021005 -0.00063375 0.00074228
0.01716628 0.01357266 0.01886754
6.69877434 -1.35705092 -12.35454928
0.00051467 -0.00016335 0.00017529
-0.00257290 0.01347295 -0.01387146
9.02746075 -1.61211816 -10.48925225
-0.00004389 0.00078906 -0.00012805
0.00294045 0.00293489 -0.01352261
1.58224956 -8.51177392 -14.24359291
-0.00023188 -0.00031665 0.00007866
-0.00438632 0.00163119 -0.00121436
1.55332795 -11.36751288 -14.17733395
-0.00023271 -0.00024829 0.00098718
0.01730082 -0.02894563 0.00229795
4.22360802 -0.43066490 2.48763323
-0.00058692 0.00073848 0.00032056
-0.00375232 0.00345486 -0.01043985
6.98694512 -0.48250203 3.63769307
0.00130929 -0.00024660 -0.00001179
-0.00232763 0.00788064 -0.00568409
0.38101335 5.15961588 17.65840903
0.00009516 0.00040598 0.00005290
0.00624096 -0.00755091 -0.00475069
0.64680880 7.46605538 19.52220265
-0.00005815 0.00059081 -0.00052554
-0.00626153 -0.00763295 -0.00263291
2.16309357 15.03030768 -21.58798015
0.00056319 -0.00011750 -0.00130550
0.01155651 0.00917803 -0.01174336
0.74553729 13.39692690 -19.86724554
-0.00065699 -0.00050957 0.00021177
-0.00170457 0.01362326 0.00574888
19.13683424 -20.35739196 -1.99898274
-0.00000243 -0.00055491 -0.00003901
-0.00451738 -0.00097122 0.00218172
21.46739081 -18.84711416 -2.41407359
-0.00004686 0.00036351 0.00054010
0.01976250 0.02493177 -0.02387925
15.92967362 -2.69353277 -25.21348788
-0.00043297 -0.00058513 0.00028645
0.00614485 -0.00553290 0.00292468
16.35448657 -1.62615444 -22.42870251
0.00090419 0.00034610 0.00025323
-0.00388724 0.00501873 -0.02845359
-24.13812976 5.61738075 28.50742550
0.00003076 0.00061778 0.00085610
0.00586487 0.00004798 -0.00125289
-21.22513046 6.40875980 28.56353739
-0.00034458 0.00105780 0.00001338
-0.01319652 0.00732787 0.00072571
-9.11647422 2.27959737 -16.91820645
0.00041721 0.00045706 -0.00075404
0.03004524 -0.02129742 0.03960405
-6.37960263 1.03497835 -15.51209602
0.00099283 0.00013017 -0.00022771
-0.04144656 0.00418594 -0.00463526
-1.45113147 22.71412956 -14.17857284
0.00034300 0.00074362 0.00015723
0.01355967 -0.02084758 0.01073856
1.29259889 22.87610911 -13.05225658
0.00048128 0.00015457 -0.00025361
0.00798230 -0.00306632 -0.00293020
3.44724189 -6.90355057 -17.91502448
0.00021420 0.00055332 -0.00001993
-0.01274649 -0.00490950 -0.01219337
4.59089621 -4.18095128 -17.65272046
0.00025874 0.00008746 0.00051838
-0.00303459 0.00561299 -0.00217642
13.39584708 5.48956422 2.84648769
0.00029781 -0.00014672 -0.00013969
-0.00382651 0.00051318 0.01070425
14.39352779 6.34265018 5.54095673
-0.00039416 0.00025058 -0.00009140
-0.02829502 -0.02474237 -0.02047287
-3.64901760 -2.32629839 -23.88285166
0.00025608 0.00003030 -0.00014626
0.00339656 -0.00052059 0.00013459
-0.83492593 -2.21002930 -22.91927256
0.00008147 0.00000631 -0.00021433
-0.00908251 -0.00808251 -0.00198045
-0.84697438 -9.29408438 20.32466641
0.00054001 0.00000156 -0.00041534
0.01907688 -0.00378756 0.00238504
2.00871477 -8.28022517 19.72877691
-0.00015941 -0.00002676 0.00001823
-0.01844981 -0.01754355 -0.00390060
7.04709326 11.18091533 12.65636832
0.00047500 -0.00004598 0.00034451
0.00023558 0.00709115 -0.00947764
7.62409739 13.63170893 10.98110353
0.00034122 0.00011440 -0.00051044
-0.00618188 0.00363878 0.00455564
-1.74397564 -0.94580526 13.50816668
0.00024794 -0.00024882 0.00059935
0.00205854 0.00968737 0.00122481
-2.08017396 -1.29186143 16.34453888
-0.00028874 -0.00161165 0.00076588
0.00163227 -0.01516196 0.02128824
20.14287311 7.77698161 -6.07239340
-0.00005282 0.00030236 -0.00020853
-0.01468268 0.02637436 -0.00741492
20.02100303 10.50158977 -7.25204183
-0.00039537 0.00004176 -0.00022856
0.00710732 0.00588149 -0.00423968
18.95058438 17.97777110 5.64142988
0.00000792 -0.00079873 -0.00086922
-0.00130121 -0.01097905 0.00922355
19.49701913 19.61233955 3.29261430
-0.00116006 -0.00065063 -0.00023702
-0.00996968 0.00125689 0.00927235
-13.43061383 -10.60436830 5.01266533
0.00015591 0.00027629 0.00003004
0.01576950 -0.01347912 -0.01172039
-12.03897498 -11.99292354 2.72181539
-0.00021098 0.00021776 -0.00007940
-0.00684964 -0.00080773 0.02129081
-9.27122994 -34.57901161 5.68611285
-0.00018826 0.00052858 0.00055956
0.03381854 -0.01156466 -0.00536252
-7.36752606 -35.46456399 3.75502310
-0.00111394 0.00007012 0.00051778
0.00718703 -0.01000597 -0.03010342
-10.64970130 -29.58791705 21.30863336
-0.00001578 -0.00126282 -0.00066871
-0.01691155 0.01407773 0.01227105
-12.54991875 -27.14882946 21.83930413
0.00014910 0.00005741 -0.00046435
0.00815281 -0.02281475 0.00155062
-14.61337896 -23.62422258 -3.10131889
-0.00001932 -0.00004649 -0.00022515
-0.00129607 -0.00013214 0.00412077
-13.36509174 -23.25572068 -0.36609964
-0.00060902 0.00024116 -0.00091127
-0.00409502 0.01400532 0.02014286
-2.87473237 13.79227774 23.87059278
0.00004801 0.00017377 0.00036071
0.00925175 -0.02029201 0.02221849
-3.13744160 16.44937751 22.87003758
-0.00024183 0.00008486 -0.00082737
-0.00140377 -0.01743887 -0.00499599
6.09434190 -13.65925793 3.26988003
-0.00000670 0.00002637 -0.00096049
-0.02744670 0.00970137 -0.00348644
5.37184501 -11.10785726 2.14051624
0.00059801 0.00082448 0.00048558
-0.00467472 0.00536240 0.00005720
-7.37477819 4.55379464 -9.60010323
0.00027534 -0.00082872 -0.00067069
0.00454361 0.01923790 -0.00902173
-5.98702280 2.01437460 -9.33901134
0.00014414 0.00060846 0.00032662
-0.01407113 0.00424322 0.00785005
-17.12930616 4.99447643 -11.11381457
-0.00077608 0.00049266 -0.00046455
-0.03669240 -0.00729444 0.00503942
-19.68715200 6.53155917 -11.59416085
0.00048832 -0.00081527 0.00103802
-0.00399562 0.00837188 -0.00823351
-19.54872103 -13.85711571 -0.75070333
-0.00054922 0.00014260 0.00031430
-0.00693951 0.00898305 -0.00199049
-21.25697925 -12.41853660 -2.98073902
-0.00040345 -0.00021730 -0.00058969
0.00703840 -0.00112686 0.01889041
-13.09866402 8.87152659 6.84839759
-0.00000250 -0.00026019 -0.00014363
0.00033112 -0.00575999 0.01207704
-14.36315114 9.44283665 9.45907336
-0.00024727 0.00000189 0.00054627
0.00020681 0.00877618 0.00396705
-7.19828517 -12.30695557 18.34998771
0.00009493 -0.00096847 -0.00012903
0.02643839 -0.01391878 -0.00180285
-9.50095905 -10.69569017 18.00398762
0.00059615 0.00068853 -0.00013932
-0.00143102 -0.01255744 0.01170255
15.38462767 1.15966093 20.15126931
0.00056935 0.00123807 -0.00027565
0.00183624 0.00763305 0.01019614
15.78244394 2.81233939 17.81513569
-0.00098408 0.00051940 0.00031693
0.00353950 0.00649339 -0.00890389
14.25305861 -18.42756218 21.14081714
0.00082361 0.00077868 -0.00010869
-0.00080275 -0.00355746 0.00783398
11.77513759 -16.94661661 21.61712537
-0.00088275 -0.00078314 -0.00044333
0.01139805 0.00149734 0.00688352
7.87126237 16.38218790 5.90476352
0.00043183 -0.00012759 -0.00045061
-0.00181411 -0.00304555 -0.01687589
10.23590481 16.93876469 4.40008023
0.00105540 -0.00050560 0.00040264
0.02758005 0.01738006 0.00037616
4.47106004 20.15686991 -3.72360341
0.00093826 -0.00012818 0.00007267
0.00701960 0.00727744 -0.01535121
4.11084808 18.06907122 -1.72070200
-0.00008037 -0.00002738 0.00077293
-0.01557206 0.00864715 -0.01363241
-0.10300582 -27.84003601 -4.49734891
-0.00029318 -0.00039577 0.00082504
-0.01512680 0.01372143 -0.00950426
-0.46745380 -28.09665813 -7.28576596
0.00070654 0.00027014 -0.00062058
-0.00565449 0.00435649 0.00398620
4.88616059 1.03494128 7.42875864
0.00006394 -0.00057452 -0.00004027
-0.00587998 -0.01376152 0.00785999
4.60661585 1.81729951 10.22213984
-0.00094556 0.00065620 0.00016479
-0.00139894 0.00654732 0.00375705
-11.05968691 9.36006564 -5.87966123
-0.00015026 0.00054770 0.00025568
0.00501802 0.00274297 0.00671876
-12.01778611 6.90480170 -7.13815854
0.00006264 -0.00030089 0.00036629
-0.01186013 0.01696883 0.01365252
-12.79303548 -9.28363633 -8.92944659
-0.00010301 -0.00025473 -0.00002318
0.00356803 -0.00414142 -0.00702787
-11.63337686 -6.84181828 -7.70464643
-0.00039684 -0.00001119 -0.00036490
-0.01547587 -0.00883925 0.00023872
2.01019717 8.56093835 8.15773632
-0.00028336 -0.00077236 0.00047066
-0.00551538 -0.00905076 -0.01486341
4.65285317 9.75532670 8.70791899
-0.00086906 -0.00068385 -0.00060677
0.02098926 0.00562766 -0.00960577
18.47148884 -9.44429835 6.57619471
-0.00040918 0.00032837 -0.00033072
-0.00040468 0.01132263 0.00147766
21.18637693 -8.82327949 7.44394665
0.00019219 -0.00021724 0.00009667
0.01331639 -0.00166623 0.00574231
-22.84390712 25.10986538 -7.94744418
-0.00081603 -0.00009034 0.00003108
0.01938053 0.00840363 0.00256645
-20.59514926 27.07129320 -8.76366374
-0.00044565 -0.00036125 0.00018752
0.00539824 0.00986269 -0.02441375
13.02230431 -2.58852701 14.39178440
0.00004279 -0.00091428 -0.00038084
0.00476230 0.00266130 -0.01497557
14.64468777 -5.01150215 13.47874952
-0.00052058 0.00022461 0.00015112
-0.00723711 0.01349315 0.01182930
-10.98851170 11.19306971 -1.34731489
-0.00069938 0.00021862 -0.00178756
0.05834889 -0.02213023 -0.04050019
-13.21955192 12.87790851 -1.29757349
-0.00068926 0.00050732 0.00022759
0.00463283 -0.01055679 0.01454781
12.38438180 19.36567065 -20.90503191
0.00046929 0.00057217 -0.00036389
-0.00473307 0.00264296 0.03010539
13.97141634 20.26382808 -18.61248351
-0.00015924 0.00087728 -0.00055673
0.00857142 -0.00276099 0.00789158
10.81161751 -0.91684222 3.92432372
-0.00017203 0.00069633 0.00043154
0.00711977 0.01363297 0.00154515
10.90002658 2.13215855 3.72040015
0.00037168 -0.00008409 -0.00031550
0.02414128 0.02828827 0.01722047
3.21637459 -30.07538386 13.00336655
-0.00083326 -0.00119184 -0.00026581
-0.00618311 0.00650963 0.00027789
0.89303156 -28.42400590 12.17141606
0.00075846 -0.00025824 -0.00032141
-0.00314534 0.01518608 -0.01804777
-13.21549012 28.82957970 10.83378713
-0.00063047 0.00036664 -0.00067875
-0.00038869 0.00100448 -0.00588954
-13.33442786 26.10779929 12.03257534
-0.00086478 0.00056118 -0.00077685
0.00821215 -0.01210414 -0.00498209
6.79680940 -7.13904825 0.98538780
0.00088139 -0.00094644 -0.00085365
0.02061774 0.00249096 0.00791167
5.84531518 -8.62510684 -1.49600937
0.00006757 0.00021317 -0.00076284
0.01013227 0.00249963 0.00189141
-15.39889542 9.53502297 -7.23048346
0.00092256 -0.00063731 0.00032604
0.01087848 -0.00216554 0.00493311
-18.03813410 8.43294198 -7.17738756
-0.00036109 -0.00023616 0.00068838
0.00039785 0.00864527 -0.00608478
15.75222951 8.38296278 23.58614670
-0.00011841 -0.00008713 0.00031156
-0.01055562 -0.00396954 -0.00340067
18.32226747 9.71117617 23.80785754
-0.00010167 -0.00071784 0.00026237
0.00660409 0.00197510 0.00693012
-17.48521398 12.50264233 17.89591452
-0.00072290 -0.00127511 -0.00077661
0.00985564 0.00503454 0.00342919
-15.38236353 14.66018888 17.95152052
-0.00108341 -0.00049286 0.00000811
-0.00860747 -0.00760608 0.00398273
18.37029621 -5.77100237 -4.30470094
-0.00121733 -0.00091381 -0.00061601
-0.02159226 0.01037382 0.00808426
16.16492847 -4.42568150 -5.64002022
0.00042288 -0.00017735 0.00100886
-0.00448066 -0.00448422 0.00639314
-10.02095770 1.43283767 -10.41766080
-0.00029125 0.00023849 -0.00041720
0.00789373 -0.00625166 -0.00819534
-10.34994769 0.31991486 -13.12361363
0.00043250 0.00007224 0.00028393
0.02295175 0.00545838 -0.03185084
-5.87552231 -14.40131172 -17.35821569
0.00045407 -0.00060384 -0.00056774
-0.00772879 0.03482630 -0.00769800
-5.95299287 -16.17253819 -15.12899287
0.00089300 0.00099033 -0.00004945
-0.00357051 -0.00016850 0.04614528
23.460000
23.460000
23.460000
90.000
90.000
90.000
12911.718
842.397653 -6.316785 12.151728
-6.269636 833.962156 -3.426895
12.238192 -3.395224 832.828066
836.395958
60.612359
[qbox] End of command stream
1414.376
2019-07-02T22:37:11Z