CoreDev
/
CMMDE
4
1
Fork 0
Code Issues 2 Pull Requests Packages Projects Releases Wiki Activity
A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
You can not select more than 25 topics Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
29 Commits
1 Branch
0 Tags
31 MiB
Tag: Branch: Tree: b16ab9e31c
Branches Tags
${ item.name }
Create tag ${ searchTerm }
Create branch ${ searchTerm }
from 'b16ab9e31c'
${ noResults }
CMMDE/examples/ts/cmmd.opt

908 lines
57 KiB
Raw Normal View History Unescape

First launching
2 years ago
$orca_opt_file
$trust
0.300000000000
$epredict
0.000000000000
$ediffsc
1000.000000000000
$ctyp
3
$coordinates
50 21
-5.37770704 2.12237032 -0.12536443 -8.73474883 2.26302263 -0.11466858
-2.74615002 2.01244495 -0.13326349 -5.29017493 4.21684828 -0.09565794
-5.41727791 1.04787204 1.67437294 -5.42598955 1.10188041 -1.95592324
-1.64128384 2.63184048 -1.55388401
-5.37480691 2.15260976 -0.13598026 -8.86844357 2.20946802 -0.08534246
-2.62741210 2.05643146 -0.08913545 -5.35452320 4.26371655 -0.07597183
-5.40484113 1.05076580 1.65476406 -5.43229005 1.14788765 -1.99401348
-1.57101515 2.51539986 -1.57870933
-5.37224284 2.15393082 -0.17835191 -8.99786118 2.20598529 0.00580389
-2.56366018 1.97291758 -0.09050533 -5.34262681 4.31307203 -0.13624873
-5.38343308 1.05719771 1.64610528 -5.48481384 1.10296592 -2.06020065
-1.48869418 2.59020977 -1.49099129
-5.36581982 2.15996305 -0.15551290 -9.11341230 2.20177451 -0.04692433
-2.46632022 2.04307686 -0.06418378 -5.35009896 4.25632597 -0.08722270
-5.38281183 1.06675306 1.63868181 -5.44449401 1.15465035 -2.01559496
-1.51037497 2.51373531 -1.57363188
-5.32859261 2.14641713 -0.17157794 -9.21246203 2.23009858 0.00692665
-2.43884803 1.96932567 -0.09029721 -5.37960753 4.29095072 -0.14976949
-5.35102988 1.05087470 1.63755083 -5.50794540 1.11456284 -2.04287007
-1.41484663 2.59404947 -1.49435152
-5.36188495 2.15030373 -0.13960581 -9.26259696 2.21707992 -0.08795956
-2.34954762 2.02413532 -0.06009857 -5.31836652 4.23001259 -0.06322431
-5.38274200 1.07681086 1.64350629 -5.43059438 1.15216637 -1.97676234
-1.52759968 2.54577031 -1.62024445
-5.42119737 2.15336969 -0.11073037 -9.28408512 2.20430853 -0.20155578
-2.30460176 2.08819156 -0.05411862 -5.21446797 4.18155931 0.04317858
-5.39756562 1.10060527 1.66282282 -5.32964888 1.16834960 -1.91054663
-1.68176540 2.49989515 -1.73343873
-5.48189870 2.16251473 -0.09412676 -9.30907915 2.18755335 -0.29801052
-2.26120404 2.16136918 -0.05058040 -5.11378836 4.15092441 0.14263687
-5.39405981 1.11734849 1.67386476 -5.23602189 1.18022561 -1.86495367
-1.83728017 2.43634335 -1.81321903
-5.53876413 2.17688855 -0.08660766 -9.34702034 2.17134711 -0.37455310
-2.21155135 2.24475535 -0.04630184 -5.02168420 4.11662769 0.22043007
-5.37319407 1.12618405 1.66918027 -5.15501382 1.20208679 -1.82862309
-1.98610421 2.35838958 -1.85791339
-5.59575361 2.19241669 -0.08549263 -9.39827625 2.15699957 -0.42519402
-2.15935503 2.33902381 -0.04274710 -4.93709052 4.07748945 0.26744476
-5.34006747 1.12333940 1.64651523 -5.09580481 1.23496299 -1.80019680
-2.10698442 2.27204720 -1.86471817
-5.65693181 2.20754491 -0.08853239 -9.46589334 2.14294443 -0.44207370
-2.10681582 2.44206383 -0.03935801 -4.86324724 4.03658501 0.28239077
-5.30365684 1.10914488 1.60655560 -5.06945797 1.27699313 -1.78552030
-2.16732908 2.18100292 -1.83785072
-5.72142790 2.22195499 -0.09352491 -9.54771443 2.12625047 -0.42474317
-2.05074207 2.54807061 -0.03627519 -4.80788882 4.00217300 0.27453343
-5.27515632 1.08681919 1.55530525 -5.07992429 1.32629761 -1.79095487
-2.15047829 2.08471325 -1.78872928
-5.78779595 2.23448819 -0.09934969 -9.63783446 2.10742898 -0.37475068
-1.98281934 2.65106537 -0.03208201 -4.77686961 3.98204201 0.24573030
-5.26144088 1.05492536 1.49708385 -5.12705510 1.38014436 -1.81952523
-2.05951678 1.98618485 -1.72149528
-5.70580180 2.21706112 -0.09109099 -9.62849068 2.12005393 -0.36296724
-1.96928576 2.60591259 -0.04526536 -4.83776731 3.96519201 0.22267800
-5.33967469 1.06678956 1.50501448 -5.21222612 1.36065403 -1.78335764
-1.94008574 2.06061588 -1.74939998
-5.79038156 2.22966563 -0.10751784 -9.69365079 2.10965556 -0.32117543
-1.92802524 2.68362389 -0.02894921 -4.80045706 3.95142336 0.19715009
-5.27987239 1.04489025 1.44456868 -5.20413121 1.40136235 -1.81028395
-1.93681385 1.97565806 -1.67818108
-5.87429021 2.23617763 -0.12051748 -9.73842445 2.10426499 -0.26714993
-1.89837634 2.77203043 -0.01690475 -4.76697929 3.92292734 0.16275931
-5.23331702 1.02425985 1.38237000 -5.21731108 1.44543792 -1.84967427
-1.90463372 1.89118095 -1.59527160
-5.95919258 2.23565955 -0.13485780 -9.76265478 2.10300852 -0.20901955
-1.87277813 2.86458499 -0.01821787 -4.72828523 3.88056886 0.12669701
-5.20625792 1.00608234 1.31919738 -5.25478825 1.48597095 -1.88774117
-1.84937522 1.82040391 -1.50044674
-6.04474630 2.22931068 -0.14929641 -9.75700816 2.11354856 -0.15644089
-1.86156339 2.96515553 -0.03002356 -4.67089633 3.80988305 0.09567682
-5.19924640 0.99199387 1.26358829 -5.30289184 1.51085383 -1.92278531
-1.79697970 1.77553360 -1.40510766
-6.12646946 2.21672489 -0.16357452 -9.73366015 2.13889118 -0.10763676
-1.85628370 3.07868810 -0.05091229 -4.58853479 3.71209380 0.06207910
-5.21675719 0.97003036 1.21531026 -5.36902619 1.51778479 -1.95432306
-1.74260063 1.76206599 -1.30533147
-6.20047379 2.20252711 -0.17640048 -9.70871259 2.17026073 -0.06041593
-1.84801874 3.20250371 -0.07936202 -4.47904149 3.60134016 0.02422103
-5.25986258 0.93517619 1.17436639 -5.45463719 1.51187562 -1.98749020
-1.68258573 1.77259559 -1.19930754
-6.12235350 2.20850454 -0.16362412 -9.73044111 2.17326046 -0.09252690
-1.84971948 3.11034051 -0.05012670 -4.59712782 3.69579264 0.04905949
-5.24131313 0.93661848 1.21267068 -5.40280457 1.48996631 -1.96714847
-1.68957250 1.78179617 -1.29269272
-6.19546770 2.20883796 -0.17434007 -9.71016664 2.16367449 -0.06043289
-1.84643847 3.20816849 -0.07667237 -4.45687275 3.60178838 0.01850570
-5.27579903 0.92759156 1.17958560 -5.46618273 1.50831456 -1.99148223
-1.68240479 1.77790368 -1.19955248
-6.22514710 2.18943744 -0.18222952 -9.74803142 2.20672534 -0.00827099
-1.80035238 3.33097840 -0.09955798 -4.33237069 3.54916011 -0.02956098
-5.37031166 0.83869854 1.14998000 -5.59316108 1.45732293 -2.02985096
-1.56395779 1.82395636 -1.10489833
-6.16926388 2.19520999 -0.16718233 -9.78130166 2.19138032 -0.05023653
-1.81826569 3.20229430 -0.06524080 -4.48748873 3.65320692 0.00337244
-5.28679603 0.88648174 1.16810699 -5.48600484 1.47411575 -1.98379689
-1.60421129 1.79359008 -1.20941164
-6.10912776 2.19476346 -0.15442154 -9.81227957 2.21110071 -0.06894018
-1.81154335 3.10245034 -0.02735429 -4.64968238 3.72362437 0.00842096
-5.24658408 0.89655652 1.20008674 -5.43374314 1.46265529 -1.96798789
-1.57037183 1.80512843 -1.29419253
-6.13609837 2.17151910 -0.16834909 -9.82080724 2.23999428 -0.01110893
-1.76387245 3.24100361 -0.05964561 -4.50820195 3.70380032 -0.02871938
-5.37005180 0.79494222 1.17930777 -5.58906497 1.40671218 -2.02365759
-1.44523533 1.83830739 -1.19221592
-6.07786766 2.17393509 -0.15857735 -9.85766761 2.23591610 -0.01643514
-1.74154901 3.12918316 -0.02248465 -4.68154248 3.82267247 -0.03072277
-5.34378185 0.80103022 1.20029172 -5.56800285 1.40536408 -2.01732639
-1.36292064 1.82817801 -1.25913416
-6.08391004 2.12691662 -0.18304499 -9.84773220 2.31689854 0.05130006
-1.68018849 3.29172723 -0.04687017 -4.56365472 3.73335291 -0.07565960
-5.49560285 0.69164003 1.19033491 -5.74812549 1.32334089 -2.07715869
-1.21411832 1.91240289 -1.16329027
-6.02002124 2.10286099 -0.19527804 -9.86713142 2.35470644 0.08012877
-1.61723208 3.24178834 -0.01245457 -4.73260217 3.78922812 -0.09931552
-5.53519903 0.66877178 1.20931323 -5.81375827 1.29085445 -2.09916256
-1.04738790 1.94806899 -1.18762004
-6.02745174 2.06748032 -0.21320013 -9.83409817 2.41030386 0.10003282
-1.59478315 3.32343299 -0.02430245 -4.67479014 3.71784975 -0.10197160
-5.60757701 0.62867270 1.20944893 -5.89013122 1.24711143 -2.11813560
-1.00450068 2.00142806 -1.15626071
-5.99818776 2.06716271 -0.21686663 -9.84162284 2.40309187 0.09820035
-1.57118240 3.26139766 -0.00432246 -4.79121057 3.76788898 -0.09736773
-5.59455646 0.64811126 1.22336381 -5.88618812 1.25107723 -2.11962464
-0.95038396 1.99754942 -1.18777144
-6.01409235 2.04914192 -0.22274969 -9.81724741 2.43319170 0.09541733
-1.57028463 3.30684540 -0.01286313 -4.74221632 3.72456765 -0.08533356
-5.61990837 0.63218609 1.22484670 -5.90368542 1.22910602 -2.12346054
-0.96589761 2.02124035 -1.18024586
-5.98480552 2.08542137 -0.21465250 -9.85062029 2.35719209 0.08468342
-1.57225375 3.18948254 0.00490553 -4.86780115 3.83460028 -0.08150137
-5.55745734 0.68696607 1.23456325 -5.85246098 1.27907171 -2.11613932
-0.94793308 1.96354505 -1.21624774
-6.01102258 2.05699844 -0.22105191 -9.81516878 2.41119108 0.07758247
-1.56753829 3.26364921 -0.00659676 -4.79378436 3.75970777 -0.06385941
-5.59509597 0.65961205 1.23781902 -5.87327439 1.24205594 -2.11973282
-0.97744775 2.00306462 -1.20854933
-5.99864590 2.07714902 -0.21715580 -9.82703447 2.36555582 0.06526872
-1.56732413 3.19745871 0.00103044 -4.86441853 3.81943094 -0.05076400
-5.55940584 0.69614909 1.24733971 -5.83913572 1.27192094 -2.11601438
-0.97736753 1.96861460 -1.23409343
-6.02608000 2.04661784 -0.22222244 -9.79461101 2.43392686 0.06641278
-1.56477551 3.28915723 -0.00907363 -4.76977270 3.72568555 -0.04936905
-5.60391424 0.65484780 1.24268717 -5.86893989 1.22711980 -2.11766875
-1.00523877 2.01892403 -1.21515483
-6.01910443 2.06217117 -0.21870494 -9.79923367 2.39434295 0.05015224
-1.56004788 3.23169391 -0.00271714 -4.83349024 3.77766380 -0.02983212
-5.57357418 0.68861206 1.25415173 -5.83438439 1.25266681 -2.11363353
-1.01349732 1.98912841 -1.24380497
-6.04141634 2.03685043 -0.22271326 -9.77200474 2.45525136 0.05335263
-1.56224265 3.31029993 -0.00937646 -4.74855454 3.69593854 -0.03440566
-5.61048067 0.65122809 1.24795010 -5.86064698 1.21229996 -2.11406153
-1.03798620 2.03441081 -1.22513457
-6.03294085 2.05753273 -0.21734484 -9.77905529 2.40191349 0.03223364
-1.55186829 3.23583434 -0.00151997 -4.83269520 3.76364545 -0.00915846
-5.57228370 0.69462782 1.26243568 -5.81513736 1.24785994 -2.10832982
-1.04935142 1.99486535 -1.26270497
-6.05023497 2.03846756 -0.21943023 -9.75459176 2.44546539 0.02860396
-1.54814980 3.28637832 -0.00345249 -4.78126927 3.70906024 -0.00745297
-5.59750566 0.67115355 1.26205069 -5.82738341 1.21758447 -2.10645868
-1.07419724 2.02816959 -1.25824902
-6.04140594 2.06430778 -0.21256405 -9.76386959 2.38170623 0.00523204
-1.53704225 3.20178791 0.00389234 -4.87399422 3.78315994 0.01994768
-5.55271467 0.72139601 1.27642474 -5.77344306 1.26243448 -2.09881932
-1.09086238 1.98148677 -1.29850217
-6.05832905 2.04571254 -0.21264486 -9.73820944 2.42065961 -0.00451369
-1.52269759 3.24074500 0.00543745 -4.83973076 3.73970637 0.02503175
-5.57617736 0.70235056 1.28083113 -5.77734629 1.23375886 -2.09375836
-1.12084162 2.01334618 -1.30477216
-6.05558811 2.06414411 -0.20485953 -9.73697592 2.37127179 -0.03233760
-1.50017923 3.16799143 0.01391371 -4.92404977 3.79715982 0.05335176
-5.54230040 0.74457121 1.29698730 -5.72355610 1.26935104 -2.08226980
-1.15068258 1.98178971 -1.34917457
-6.07082829 2.04778506 -0.20063957 -9.71490239 2.40180078 -0.04837324
-1.46575547 3.18834339 0.02103613 -4.91348667 3.77058857 0.05709662
-5.56457074 0.72943143 1.30654303 -5.71676576 1.24478876 -2.07156610
-1.18702279 2.01354112 -1.36848560
-6.07333831 2.05106637 -0.19020718 -9.71228065 2.38567740 -0.07221256
-1.41743578 3.14461852 0.03521631 -4.96826793 3.79883540 0.06591128
-5.56038221 0.74272254 1.32197921 -5.68180578 1.25384591 -2.05572063
-1.21982145 2.01951296 -1.40935517
-6.07869047 2.04541341 -0.18247545 -9.71140660 2.39375703 -0.08467992
-1.37631372 3.13346708 0.04830382 -4.97734853 3.79998493 0.05929462
-5.57472315 0.73542143 1.33151196 -5.67279936 1.24190762 -2.04372347
-1.24205029 2.04632762 -1.43262031
-6.08032637 2.04069616 -0.17557737 -9.71511171 2.40139464 -0.09426225
-1.33816275 3.11596497 0.06425755 -4.98588525 3.80088456 0.04913297
-5.59100292 0.72999529 1.34217584 -5.67121420 1.22731503 -2.03319494
-1.25162890 2.08002847 -1.45692053
-6.07998228 2.03634625 -0.16872193 -9.72078358 2.40845212 -0.10542047
-1.30467487 3.08503001 0.08438778 -4.99424421 3.80350254 0.03803497
-5.60728070 0.72883991 1.35644883 -5.67191565 1.20879377 -2.02115890
-1.25445082 2.12531452 -1.48795901
-6.07938512 2.02808475 -0.15900819 -9.72695916 2.42433960 -0.12630508
-1.26459653 3.02071770 0.11683306 -5.00162348 3.80194217 0.02165158
-5.63116019 0.73310838 1.38348261 -5.67331864 1.17187930 -1.99963562
-1.25628899 2.21620720 -1.54140711
-6.07783403 2.01635353 -0.14900166 -9.73035459 2.44911796 -0.15638215
-1.23238230 2.90988797 0.15205308 -5.00835518 3.79488326 0.00173172
-5.65494526 0.74948028 1.42297772 -5.67221535 1.11619897 -1.96842086
-1.25724539 2.36035713 -1.60734659
$TSSearch
0
-1
19
-0.24816543
0.51755777
0.12771909
0.02229115
0.02571489
-0.00090621
0.20350724
0.01763736
0.26566776
-0.63271879
0.04410603
0.16876816
-0.10234769
-0.07953712
-0.06969033
-0.27927778
-0.02982954
0.08659060
0.04436500
# redundant internal coordinates
# nbonds nangles ndihedrals nimpropers ncartesians
# bond definitions A B
# angle definitions A B C
# dihedral definitions A B C D
# improper torsion definitions A B C D
# cartesian definitions A x/y/z
$redundant_internals
6 10 3 0 0
1 0 0
2 0 0
3 0 0
4 0 0
5 0 0
6 2 0
1 0 3 0 0
1 0 4 0 0
2 0 4 0 0
2 0 3 0 0
1 0 5 0 0
2 0 5 0 0
3 0 5 0 0
4 0 5 0 0
3 0 4 0 0
0 2 6 0 0
6 2 0 4 0
6 2 0 5 0
6 2 0 3 0
$energies
50
-575.3984683436186742
-575.4432642420939601
-575.4705351642813866
-575.4948574657875042
-575.5083724025514584
-575.5176585453405096
-575.5147724036889940
-575.5099870353055849
-575.5054927190310536
-575.5014201559565663
-575.4991734839981063
-575.5003073103177940
-575.5051136300330654
-575.5089644107019922
-575.5091839179846147
-575.5093088883895689
-575.5093620623263178
-575.5087684341634713
-575.5084569097432450
-575.5092726072455207
-575.5103542832030143
-575.5101341034965117
-575.5161678426165963
-575.5127170055760644
-575.5129099205656757
-575.5185074200001054
-575.5198114594552408
-575.5233221987572279
-575.5250087437020738
-575.5256229999938569
-575.5258192885127073
-575.5260867453247329
-575.5262140761345790
-575.5263756519553908
-575.5266146232210076
-575.5266686653736770
-575.5268553987217501
-575.5269960663403026
-575.5271254050145444
-575.5273054573053741
-575.5274168898688458
-575.5275858636094881
-575.5277517378281118
-575.5279315094650201
-575.5281308295009239
-575.5282727484033103
-575.5283976535245074
-575.5285387301895526
-575.5287843953549327
-575.5291504146600801
$gradients
50 21
-0.0504984880449187 -0.0114035948676509 0.0249146667714769 0.1958699301809910
-0.0064867196888393 -0.0035671842280815 -0.2090424986834236 0.0204845239955982
-0.0191513358388331 0.0153414320723216 -0.0170311475962191 -0.0018093958441647
-0.0004506836931996 0.0029612648273270 -0.0060013599418153 0.0167671368669761
0.0090484868582299 0.0147038437600422 0.0319650290086388 0.0023417092689780
-0.0090724128256959
-0.0622250886781075 -0.0086617075236874 0.0210522823360417 0.1602797949007869
-0.0023279275120087 -0.0027858285496175 -0.1483276399404242 0.0126829668949481
-0.0148890331660131 0.0116868562479193 -0.0004648309597330 -0.0002260196497935
0.0015079413671182 -0.0019448154463220 0.0010527103794128 0.0124655501440675
0.0006946985825047 0.0017823595707651 0.0245706169461890 -0.0000402000258183
-0.0059170388785935
-0.0643467174322614 -0.0075259366202879 0.0187658689280573 0.1282923214202860
-0.0033895662280048 -0.0040112324107357 -0.1132098579905717 0.0119861274779644
-0.0119191932238892 0.0120248643338748 0.0172974652695927 0.0015528504579813
0.0056968323920774 -0.0075560633311035 0.0110824236876633 0.0114052443849941
-0.0098705215780395 -0.0140234928391920 0.0200793761713961 -0.0010208115805334
-0.0014513444641298
-0.0689558141657933 -0.0012861777770053 0.0137044666970158 0.1071668960642698
-0.0017627379639707 -0.0018656964455059 -0.0864989756197576 0.0098936076223961
-0.0136649318183543 0.0141189209623296 0.0064343919059772 0.0008885113796857
0.0079316883071789 -0.0055728946472469 0.0084285351615803 0.0129464769767943
-0.0055125279667738 -0.0096001616457905 0.0132531566221652 -0.0022464184392656
0.0021359161044169
-0.0669510032621009 -0.0069079882403088 0.0192598994624753 0.0913514751780158
-0.0019727530054401 -0.0035133218343424 -0.0741837753804660 0.0104357587046472
-0.0137855164836681 0.0111958827463260 0.0219917484764638 -0.0000589765308805
0.0121351614221358 -0.0094628300512870 0.0133230102922968 0.0113857552670574
-0.0110203464783451 -0.0189422211015856 0.0150163386407448 -0.0031534596928273
0.0037099214299942
-0.0716785361584809 -0.0014865385912054 0.0095743468155548 0.0810246824026690
-0.0019900915907862 -0.0007308655563869 -0.0580765916515137 0.0076477973766723
-0.0101359038967477 0.0157191868407448 0.0056484961310693 0.0008927109136036
0.0101082903305841 -0.0037471632988595 0.0066319074942615 0.0139509950321242
-0.0042650856825514 -0.0080946822740803 0.0089226625280585 -0.0018434221078581
0.0019173001745982
-0.0664693654896841 0.0011899325471217 -0.0015450585306015 0.0721632504067805
-0.0022877084028265 0.0013296898209468 -0.0590139288389918 0.0067004190405128
-0.0064196311751013 0.0215065941980295 -0.0077349765317077 0.0026089762272006
0.0098468473209098 0.0013828552003572 0.0022506810570604 0.0175358428354089
0.0015530498808658 0.0027286813997348 0.0043566962049853 -0.0008580933666322
-0.0009406918002982
-0.0558415687975776 0.0013778315950530 -0.0102287260216863 0.0620195955590865
-0.0023670242654858 0.0023892794197177 -0.0611769167586012 0.0062925170230952
-0.0033937983088024 0.0255290879716145 -0.0125227963559550 0.0049355290160549
0.0109313615926655 0.0046537603263941 0.0008750934876853 0.0196042203489977
0.0037829428609332 0.0071483418733873 -0.0011679201358027 -0.0012751563852115
-0.0016730233582987
-0.0425377778181400 0.0033894205340433 -0.0170167500428035 0.0506912306097824
-0.0021764234709282 0.0025526438410093 -0.0628518151058282 0.0059879330269900
-0.0006854585988593 0.0276425797310831 -0.0165198687844794 0.0070119513413204
0.0129672073339306 0.0069102300288930 0.0003840400878562 0.0212437771810985
0.0050166706578659 0.0092844301491878 -0.0072018395632381 -0.0026093477493003
-0.0015211733718362
-0.0280028663195873 0.0058430420960586 -0.0214054668021351 0.0392073501971839
-0.0017394968679444 0.0020510461939782 -0.0642046327270465 0.0056393889778343
0.0001808278404834 0.0279407301637750 -0.0200918253725369 0.0082674017981634
0.0150556131238817 0.0083537271492940 -0.0002482641576675 0.0225803148010812
0.0063095434041822 0.0112544953909258 -0.0125946728919616 -0.0043016628095126
-0.0000858838750424
-0.0145854844401801 0.0084501898862423 -0.0222714288488085 0.0281302257054472
-0.0011879473937139 0.0011938167746737 -0.0639570654416703 0.0046673052820406
-0.0016894181663959 0.0263601731862897 -0.0229162864682739 0.0084829877766339
0.0164055164077124 0.0090513603960570 -0.0013612464772535 0.0230448176861945
0.0071692471988122 0.0130894108746492 -0.0154148947985204 -0.0051526382456405
0.0025571838344678
-0.0054550942057602 0.0104525493061028 -0.0199938531251795 0.0179516385886411
-0.0007787735369886 0.0003183954047701 -0.0596035820415067 0.0028004659026953
-0.0043203751433252 0.0234215222324440 -0.0237485797150816 0.0079832489607960
0.0165652891315672 0.0090120248632414 -0.0025107477963295 0.0220594156311599
0.0068362797079480 0.0139589056609159 -0.0149461936194488 -0.0044728592880190
0.0045443387343010
-0.0023063415315094 0.0113021459204931 -0.0153790601419692 0.0089388304777018
-0.0007505693552970 -0.0003241424424635 -0.0498999972704084 0.0008933241340496
-0.0054177979242884 0.0201527074079791 -0.0215376184147145 0.0066849242061885
0.0155884129630618 0.0077881801530979 -0.0031295126928920 0.0196342171605111
0.0053713094995067 0.0129250731969530 -0.0120839635042690 -0.0030303931965955
0.0047164108898012
0.0084093453078986 0.0089729435812783 -0.0214609907628711 0.0133501801861551
-0.0014963130048576 -0.0001578840370761 -0.0419829178084588 -0.0011314527921033
-0.0206353069046107 0.0128141456304809 -0.0438802023308288 0.0020868029222060
0.0089440226095240 0.0175445219140073 -0.0173973308908838 0.0076443583932996
0.0171586268195567 0.0368755691132902 -0.0091876809135582 0.0028621864289713
0.0206369241471608
0.0102576899234302 0.0084757229073130 -0.0186133401612400 0.0049396143896349
-0.0010849322692363 -0.0003317434095576 -0.0398244480215558 -0.0039617204852437
-0.0175517150157425 0.0125506719256492 -0.0345046688876814 0.0024351198003932
0.0110076700375238 0.0141226485285276 -0.0140058987831262 0.0101204212443445
0.0134207910032346 0.0307754982570742 -0.0090406012802329 0.0035369381274473
0.0173979610778867
0.0085198713817752 0.0108456152284422 -0.0116039268036558 -0.0009638059428106
-0.0007128564143245 -0.0003583207494315 -0.0373480419124698 -0.0041625898392061
-0.0114881358577173 0.0116145440041682 -0.0291228747799535 0.0016711126615742
0.0128268048485773 0.0114623781890936 -0.0115200375565535 0.0135739539666389
0.0095792765167313 0.0227759065019787 -0.0082035652375138 0.0021777958978247
0.0106751729245838
0.0049666891053723 0.0102859378083360 -0.0072445875792670 -0.0048450173310630
-0.0003533035720251 -0.0002612131418670 -0.0341479137869575 -0.0054195647678396
-0.0095507322370550 0.0106751494304857 -0.0243266111640454 0.0008687015837018
0.0143130336269851 0.0099468901419047 -0.0101454299133538 0.0155618220879592
0.0080095288405639 0.0183696106500491 -0.0065214101322996 0.0019272158349342
0.0079771422824498
0.0007954027958575 0.0107813641816737 -0.0031663617098221 -0.0059240409616575
0.0001511731326207 -0.0001583739371159 -0.0319180020024602 -0.0061802991403311
-0.0074790561246683 0.0081044359219628 -0.0222267725362085 0.0004223805433685
0.0159916288323298 0.0096820025559670 -0.0092861059808856 0.0175536242669975
0.0070734274915080 0.0143740794712657 -0.0045934019010393 0.0007290345807689
0.0052815652729956
-0.0043573031247240 0.0112778854510524 -0.0004964962464073 -0.0038676919361077
0.0008027920014481 -0.0001533965001773 -0.0285725465624891 -0.0077362906106290
-0.0066503569148550 0.0032231967084929 -0.0217397224741622 -0.0000143215297550
0.0175830640205428 0.0100638797534051 -0.0088533952406373 0.0186634265903720
0.0070174208767163 0.0121100578965478 -0.0026809320643117 0.0003483523866809
0.0040305627137625
-0.0121220143153905 0.0114152337655248 0.0018350920706380 0.0013587706653556
0.0012262188531304 -0.0003942622171026 -0.0220932430923982 -0.0086683351317615
-0.0054353777096396 -0.0033758065097442 -0.0218502706527500 -0.0007962844122857
0.0185614513309896 0.0104935676899606 -0.0084847846849574 0.0189252232800615
0.0070478509986960 0.0103003025662391 -0.0012650369914401 0.0003189849920833
0.0029475656987734
-0.0020342159300992 0.0155799614677503 0.0014801146048605 -0.0032010676113248
0.0007941073204691 -0.0002389887337771 -0.0279942193243417 -0.0060666102325602
-0.0053174093764534 0.0008772237168647 -0.0239584031648521 -0.0007144634833201
0.0168110077943841 0.0085911753830500 -0.0083147101419871 0.0176998151956813
0.0058869974164265 0.0101152935810542 -0.0021606420071317 -0.0007906866827744
0.0029822263013083
-0.0108823451089397 0.0123763676202207 0.0023614236756727 0.0013621482793819
0.0009155536019148 -0.0003708412055076 -0.0218231839900296 -0.0079793806637785
-0.0046322276823043 -0.0041423274306924 -0.0211483067757443 -0.0010504684830110
0.0180501316465958 0.0096311251229128 -0.0077147854629068 0.0185372687108259
0.0067521653523515 0.0091296683135962 -0.0011077160626041 -0.0005644848834483
0.0022578008869789
-0.0128283910458259 0.0083129955773321 0.0039278442733132 -0.0005976893693653
0.0009605846419014 -0.0002722072608624 -0.0112475491565513 -0.0075064844070164
-0.0032710689941454 -0.0071560856149561 -0.0150092641666513 -0.0020498501299921
0.0158028638061722 0.0077724688523257 -0.0071606842034766 0.0160925752468781
0.0056108566345139 0.0069640038445989 -0.0001104136500704 -0.0002322968543142
0.0018421010209600
-0.0070040616076296 0.0047489292509083 0.0028067784215437 -0.0071591348593916
0.0015971289250625 -0.0000764907356648 -0.0199915732443100 -0.0072292907941609
-0.0044406236186417 0.0010730808207176 -0.0140749642687173 -0.0014002846809839
0.0163468725534532 0.0093605127699832 -0.0109669228882600 0.0172487711393046
0.0064744541741195 0.0115593452496313 -0.0005088031046897 -0.0008515755731218
0.0025029477085194
-0.0008986920615640 0.0139163442361359 0.0049429100740209 -0.0100660878204429
0.0012158060517473 -0.0001272595381308 -0.0229224955783279 -0.0038711663210498
-0.0041009495828901 0.0025207310671647 -0.0230584141334852 -0.0033327554075301
0.0158934366319638 0.0071805612811902 -0.0106846232748695 0.0172401730907550
0.0057349202319689 0.0104613012708483 -0.0017333839903853 -0.0010751138179752
0.0028768860271023
-0.0073005589211124 0.0021433032219509 0.0047746491816513 -0.0091191363388854
0.0011318868077420 0.0000541105354861 -0.0161678759825515 -0.0063435909603912
-0.0040148143364888 0.0053557796525506 -0.0025110964550786 -0.0014878191760218
0.0128490565218865 0.0034857432580664 -0.0074706234703260 0.0134749702606567
0.0034553458894096 0.0056093276339169 0.0009156297599880 -0.0013034298959099
0.0024929497558811
-0.0078840426619695 0.0010494183720777 0.0067077156337877 -0.0099473444223750
0.0007156642304629 -0.0000336744414663 -0.0162862111117652 -0.0024825220792139
-0.0031388050216490 0.0112588369230250 -0.0002111036475493 -0.0028643268451222
0.0108238996121827 0.0007219978452734 -0.0080262105152461 0.0118224215201282
0.0022072643767264 0.0049745574093057 0.0002157079819068 -0.0019403554472227
0.0023966467515966
-0.0016941312300904 -0.0002672868631129 0.0071623705238164 -0.0091276341656811
0.0001075180601248 0.0002084038206345 -0.0116395010023555 -0.0043244693139353
-0.0034480033174706 0.0074388424682673 0.0058938755279481 -0.0023724604930560
0.0062045722718327 -0.0010254171084892 -0.0045651018464229 0.0068900617671345
0.0010638848077883 0.0002874741496464 0.0019129919825518 -0.0014222990240318
0.0026269733233122
0.0050545693913902 0.0041795082919311 0.0086868365146580 -0.0077442553199864
-0.0003766051310926 0.0002652294605171 -0.0083369480360345 -0.0000828689995614
-0.0023269587454372 0.0052215796380290 0.0013278990325947 -0.0040526421013213
0.0018521939594525 -0.0034387096278432 -0.0038943672203147 0.0024623063001811
0.0000267306858681 -0.0011787315676873 0.0013912824520590 -0.0016744020638776
0.0024083941053875
0.0099055429054462 0.0028188555930014 0.0057352493913028 -0.0064925836759566
-0.0006698512979823 0.0003172382257566 -0.0078805933697611 -0.0011472633550088
-0.0028579920959258 0.0027916182441290 0.0021283166097902 -0.0024641286193421
-0.0001519390756890 -0.0024075633289912 -0.0023171823464866 0.0000557144752129
0.0005733115122070 -0.0011134285619859 0.0017299437974045 -0.0013333817804183
0.0026118714625903
0.0116226755739449 0.0064464413878602 0.0056325617695615 -0.0050975603114412
-0.0006143019766296 0.0002754841294529 -0.0059958970371125 0.0011419494356742
-0.0021930491407427 0.0006381066575309 -0.0029652238366302 -0.0029400413698551
-0.0012902852572883 -0.0028610338406438 -0.0024924479198594 -0.0013055477327731
0.0002919044144477 -0.0007234877164427 0.0013453555226845 -0.0015016191627637
0.0023511066814279
0.0120315327729058 0.0033084700380236 0.0033103942589120 -0.0047155895774814
-0.0005133353183693 0.0002688370458344 -0.0066827893582106 0.0001110737074376
-0.0027800063318259 0.0007752475132794 -0.0003729591792682 -0.0012689308863135
-0.0012976774524653 -0.0018371990951290 -0.0017247952596684 -0.0016578699647704
0.0006491096953229 -0.0004163366084971 0.0014917217580314 -0.0013837708687618
0.0025186476544911
0.0076298912965345 0.0047334263887863 0.0050362171561850 -0.0040260850059677
-0.0006840009560919 0.0001896652408422 -0.0048956302033235 0.0019438176639781
-0.0019659691328948 0.0026116914253217 -0.0020289551683369 -0.0026850042855431
-0.0011482411556212 -0.0028464419152858 -0.0026427098330880 -0.0013870412909335
0.0001731176428528 -0.0002943215594366 0.0011236151184898 -0.0013859312807901
0.0022740137032518
0.0095765290694092 0.0024873645125192 0.0021863004511737 -0.0037892106531627
-0.0004053717884910 0.0001808692691070 -0.0061979743308429 0.0007496307290940
-0.0027270340160601 0.0015971023189727 -0.0003661279817321 -0.0004393541962961
-0.0009189331590742 -0.0015610533298207 -0.0014701951662269 -0.0016315869280039
0.0004872846395823 -0.0002597907909793 0.0012968166244602 -0.0014467216338990
0.0024335960567395
0.0066868063479998 0.0027181734775213 0.0022830988896000 -0.0030936216792130
-0.0005316136342907 0.0001079009522196 -0.0052328032845500 0.0016531647055189
-0.0023320623390804 0.0027335283829359 -0.0009710104601529 -0.0005960131723083
-0.0007340052314335 -0.0017389306938560 -0.0015642538231936 -0.0015227730155736
0.0002308751757782 -0.0002462609145339 0.0010834359234083 -0.0014494724531583
0.0022576581207513
0.0098921017686752 0.0025799492162777 0.0007949333902669 -0.0035364979796329
-0.0002401160622408 0.0001514458963341 -0.0065486385778249 0.0002410365878336
-0.0030636216457990 0.0005817290056571 -0.0010019056777125 0.0006861277970215
-0.0003705906718875 -0.0008020465809887 -0.0009775845430553 -0.0013793321938705
0.0006412782708094 -0.0001367026078614 0.0013181835727084 -0.0014483561481831
0.0024493580366780
0.0070008397232464 0.0018767163954799 0.0002099682425670 -0.0025887759189621
-0.0003133169664910 0.0000659465584067 -0.0057695032985647 0.0010380700252975
-0.0027897646375984 0.0018033003853525 -0.0008030986255296 0.0010554512909562
-0.0002242418368869 -0.0007520269053571 -0.0008329865358731 -0.0013711077196495
0.0004183806083879 -0.0000885876630251 0.0011005532315999 -0.0015274453602336
0.0022955475975221
0.0093264654397509 0.0021078075628936 -0.0005716471832131 -0.0030437884696382
-0.0000608188069951 0.0001137066404864 -0.0067931130722912 -0.0002230600675070
-0.0033643570357946 -0.0000562480791156 -0.0009935058426514 0.0018320211660394
0.0002547865606176 -0.0001218360454469 -0.0005713676203237 -0.0010356555534448
0.0007689227646155 0.0000373051997756 0.0013332175403120 -0.0014809671449476
0.0024330788383599
0.0059580532295258 0.0014915772874614 -0.0011661150012019 -0.0018613614971128
-0.0001918926473126 0.0000090755428036 -0.0057258490011194 0.0008218970942180
-0.0029917868708559 0.0013238333215895 -0.0010014507192138 0.0021670947834393
0.0003202157701017 -0.0000726716230735 -0.0004038688664925 -0.0010456919005322
0.0004917542967501 0.0000638139253548 0.0010152172907029 -0.0015910404827125
0.0022561903187128
0.0067558466937703 0.0012358338589091 -0.0019904314123593 -0.0017016757329784
-0.0000015660909997 0.0000153993737991 -0.0061665751346327 0.0000644881529605
-0.0033871012605148 0.0000909847600813 -0.0008465587220961 0.0029569665926888
0.0007080311687087 0.0004277310122997 -0.0001626013565905 -0.0008098150704321
0.0007203561173523 0.0001806639280710 0.0011369774260990 -0.0016092770794076
0.0023235402125726
0.0034544592240558 0.0013199308346547 -0.0023985501239063 -0.0006416352236918
-0.0001650194245195 -0.0000756980831288 -0.0049870867601014 0.0010926414441826
-0.0029012874998834 0.0012686417091082 -0.0016585149021845 0.0030478230554239
0.0008217661649405 0.0005478738447351 -0.0000541148713466 -0.0006396762104895
0.0004659771981710 0.0002630945212185 0.0007429014298461 -0.0016736881184665
0.0020930376893084
0.0033813271079888 0.0005503108136014 -0.0032370928575635 -0.0000236046863757
0.0000210852769448 -0.0000819488919919 -0.0049299079523316 0.0006129343128657
-0.0031848051428188 0.0002096791864604 -0.0010696503642216 0.0038249439549481
0.0010926503145229 0.0009491150106356 0.0001707523075270 -0.0004516268071486
0.0006580342176450 0.0003701200412254 0.0007686745157597 -0.0017675759440913
0.0021217626907745
0.0006008780583800 0.0005972955422581 -0.0037677572496492 0.0012056469719435
-0.0000119215931644 -0.0001327637066464 -0.0035504438974463 0.0013895496905145
-0.0027087945884464 0.0005398371902148 -0.0019890556540295 0.0039318333841250
0.0011326403814584 0.0012206282089269 0.0003063063118169 -0.0002067334320903
0.0005368256559947 0.0005478869300918 0.0003215211985493 -0.0018355662749094
0.0018254701080360
-0.0003217671346518 -0.0004011399795416 -0.0039836542244671 0.0019509487541642
0.0001569143935738 -0.0001030477272762 -0.0025525889356166 0.0012488259717929
-0.0027583574690707 -0.0004441782677108 -0.0010730749564787 0.0040964666284716
0.0011768201963370 0.0012376524436965 0.0003508462699917 0.0000800786932885
0.0007215940207792 0.0005796122499910 0.0001453572691808 -0.0019653417261444
0.0017891929592690
-0.0016357234843330 -0.0005656508685639 -0.0032006946057012 0.0022621500869914
0.0002834107791278 -0.0000445427458514 -0.0005563163465224 0.0018075077226703
-0.0022615529707574 -0.0010703102458265 -0.0012207597838568 0.0032262977721587
0.0008793097821650 0.0009300604043705 0.0001098173548009 0.0004549531832804
0.0007887580066402 0.0005513557667704 -0.0003378857949052 -0.0020599091498160
0.0015117003034219
-0.0023038386385860 -0.0012331649238948 -0.0020451317191490 0.0018172590560749
0.0003402447972111 0.0000168408893930 0.0009613187781141 0.0019443006842411
-0.0019784559049219 -0.0013175838642448 -0.0001237050385064 0.0022798984462030
0.0006408049601026 0.0003251053433525 -0.0001761610574937 0.0008197805770486
0.0008637159365712 0.0003149823813575 -0.0006375104308002 -0.0020975010697530
0.0014299743807311
-0.0020920417753696 -0.0011348784635814 -0.0007067472275170 0.0011483835597879
0.0003071941282675 0.0000570940359868 0.0023700108391080 0.0021090183695287
-0.0015544571767050 -0.0017771343898685 0.0002450610815555 0.0012207961502554
0.0002549518394846 -0.0002362976265902 -0.0004485070096575 0.0009381994515805
0.0008963272314100 -0.0000175648992023 -0.0008682983256935 -0.0021259584830510
0.0012886491739837
-0.0018420174552665 -0.0012139438540819 0.0004412235690857 0.0005009439241539
0.0002435715774088 0.0000642030605299 0.0035984023223953 0.0021654175131842
-0.0010453982854364 -0.0020014744129152 0.0008061871603668 0.0002883959897378
-0.0001233959995789 -0.0007343204671915 -0.0006536453343938 0.0008772859602104
0.0009035417421362 -0.0003136724394452 -0.0010314520831899 -0.0021065231305868
0.0011262461151371
-0.0016543827233035 -0.0012530800276751 0.0017800316779238 -0.0002048349473527
0.0001681631137123 0.0000252929444830 0.0050074413614895 0.0019808579247129
-0.0002734150540782 -0.0022236851082040 0.0014512189220041 -0.0008136939941473
-0.0004488828757636 -0.0012316580912022 -0.0008302542177319 0.0006983390896691
0.0008633415800775 -0.0006983436931233 -0.0011765727565337 -0.0019989358830654
0.0008436743961243
-0.0017658539999126 -0.0011142632228461 0.0027675018880785 -0.0006096158826493
0.0001578738301689 -0.0000656147060645 0.0060219865108627 0.0014980354891259
0.0003873608996779 -0.0024112964110030 0.0017489293393513 -0.0017576245908742
-0.0004514803834410 -0.0014500998610966 -0.0008997127491144 0.0003953900823375
0.0007425341373287 -0.0009508030056162 -0.0012045136673845 -0.0016033732148790
0.0004163846067787
$redundant_coords
10 19
3.3600040211780202 2.6338637698213359 2.0965167001625349 2.0964653650977811
2.0963483493981512 1.9032978639600895 1.5706455742994629 1.5706600293475963
1.5708388116861700 1.5708189937344801 1.5709421686807792 1.5708725279355558
2.0939970384681352 2.0940375625477445 2.0951506946309317 2.1756587767806574
3.0417350061658284 0.9476974376851712 -1.1462996045998257
3.4944662235607629 2.7494768440304722 2.1120568939889890 2.1027903822677247
2.1130684546197052 1.8829383575014296 1.5637224134068106 1.5527010688295424
1.5522285669938645 1.5956831642640079 1.5640775011933790 1.5963309251393631
2.0949848262162347 2.0935686394296660 2.0940449919827162 2.1395788216537239
2.9074835002820065 0.8141749356337337 -1.2819122559651952
3.6306654207097822 2.8157804238228179 2.1597547485159394 2.1287538062978610
2.1583683947313097 1.8702840647906751 1.5691677704851565 1.5294500159271240
1.5161543271096360 1.6207983647092294 1.5699185273922485 1.6187358353070374
2.0995983939397536 2.0899142345702191 2.0925688109216281 2.1278796363336787
3.0465622600235265 0.9581573988546478 -1.1456309829027267
3.7493984901323283 2.9032914661118849 2.0975338324895958 2.1010786454836499
2.1158328135768949 1.8476428957110529 1.5661994280251397 1.5437804259339190
1.5310525310324705 1.6025297673507228 1.5643900210240262 1.6164729223718433
2.0987579038085573 2.0980949838707765 2.0855001311489190 2.0723128873692356
2.9134576387748741 0.8163969799804309 -1.2849455150712670
3.8888697752952859 2.8963065535030994 2.1452511367776501 2.1151036766832529
2.1444404746941723 1.8466800526616476 1.5250529328974123 1.5320765482859002
1.5256910844986722 1.6554621077040408 1.5376703931728353 1.6493918794102234
2.0804759892427218 2.0900947554836553 2.1046339819276971 2.1074131227472259
3.0439830700227710 0.9556281583221919 -1.1362883119105454
3.9016253706684001 3.0160265338380512 2.0815659784695097 2.0814203562127171
2.0919233504452728 1.8389553160225383 1.5741125999697352 1.5582648321740760
1.5366393600184907 1.5907446566364929 1.5577497730511365 1.6068001677728023
2.1055451974212538 2.1012623631988125 2.0760898094918443 1.9956493459156364
2.9373876722526564 0.8368291369047843 -1.2700538694140413
3.8642911178508279 3.1177910915437166 2.0444994825507563 2.0626105570685991
2.0537731818768847 1.8378087487198695 1.6606881110046858 1.6091968360947762
1.5330514411103353 1.4890005572448644 1.6010853383087329 1.5321139424960404
2.1379723440692775 2.1039196624671397 2.0268894164248237 1.8938847935299343
2.8520647679985602 0.7455834688610972 -1.3987789799296200
3.8326891007421642 3.2209892409935685 2.0360096443358131 2.0556950541126482
2.0398958971831873 1.8336349573388713 1.7521344576808919 1.6626661073279374
1.5162353773816704 1.3877679581181244 1.6482009254591128 1.4616216264405075
2.1524874102163145 2.0905036608009060 1.9701247894420701 1.7906866496003493
2.7617334299533924 0.6600117484895718 -1.5324703736657741
3.8191306105838074 3.3281489426996314 2.0308204666956935 2.0528479348671778
2.0327617993016287 1.8291187940743672 1.8407389720650653 1.7154673301131347
1.4901567690063036 1.2913194779378894 1.6940458101657008 1.4014151192391806
2.1406814957895710 2.0626834586834848 1.9166774128627382 1.6835269543700684
2.6605539943981551 0.5724635248300836 -1.6652218180911593
3.6780763947266357 4.9363387480429743 2.0807867696117124 2.0627462026223893
2.0700461230658420 1.8433907708306010 1.9932319870273398 1.8518629949416052
1.4338247765802818 0.8451080489083032 1.8172702305966388 1.5107372348080592
1.9120183123034611 1.9418227922529774 1.9437590739860708 1.4450561028723092
2.1402560039840868 0.1851174177274671 -1.9110200017809214
$redundant_gradients
10 19
-0.1959863562326690 -0.1777768945620005 -0.0163865732117206 -0.0066699741991308
-0.0176348407215187 0.0260978646276143 0.0073202204788252 0.0187841410212985
0.0199415414494355 -0.0263425937038609 0.0072596474993789 -0.0269763452966836
-0.0014962827882972 0.0004131070760604 0.0010886210806882 0.0394118426121572
-0.0004768239085066 -0.0008896650551772 0.0006111711335320
-0.1603267865803256 -0.1244536505195736 -0.0003496435416248 0.0018822671973566
-0.0022342941265755 0.0184777664901720 0.0083738976424772 0.0102957325272553
0.0070034980018048 -0.0163246455098623 0.0084373382522151 -0.0177578719346137
0.0003915787793029 -0.0003036579335342 0.0009098503707685 0.0324053151836047
-0.0010387021672560 -0.0009857957611135 0.0001133424622487
-0.1283745690220085 -0.0940031485693727 0.0174996841419087 0.0133570072363377
0.0164300262346873 0.0123053736685137 0.0143137840997767 0.0035121897264601
-0.0088689034257737 -0.0110814026799170 0.0142505457770882 -0.0122691231863350
0.0024326154032723 -0.0007114804577498 -0.0000978678457395 0.0298469041135131
-0.0005232246246330 -0.0000341261684861 -0.0004740407695696
-0.1071948970045097 -0.0738144512061561 0.0065737412222814 0.0100266936675756
0.0105754073623348 0.0045544467700339 0.0136882834762314 0.0090021241110458
-0.0078565274235262 -0.0158198168442768 0.0145770501731616 -0.0136029770217468
0.0012194471316359 0.0003096371244673 0.0001056423117615 0.0236095026371103
-0.0006195402205767 -0.0009601102169954 -0.0001849422700975
-0.0914448334822165 -0.0597505932003716 0.0217309890695750 0.0161629969555656
0.0208709249533344 0.0044504531081647 0.0130709718253245 0.0116996076851746
-0.0142110898872853 -0.0118029020544060 0.0146499379094545 -0.0133494232489895
0.0021870173111737 0.0011226712271201 0.0020287420109806 0.0279505076224519
-0.0005600180910070 -0.0008582373057171 0.0004825303839900
-0.0810540611754128 -0.0495481359733115 0.0060112087072894 0.0075037705979407
0.0086881229567948 0.0018533439016073 0.0153401364952417 0.0122459994019067
-0.0089340617164402 -0.0171491194025920 0.0141345040200475 -0.0155962966161386
0.0006653945190825 0.0007609029108639 -0.0003503219969097 0.0167050763073699
-0.0002160465875279 -0.0010720401361879 -0.0001210616103236
-0.0722084903373202 -0.0548691294856329 -0.0052931828956366 0.0013360076234570
-0.0023557744653148 0.0021464275272524 0.0201168722174765 0.0152601005958065
-0.0043029556635421 -0.0246398808667429 0.0149854989528613 -0.0209083268678271
-0.0024192547936261 -0.0012195721288128 -0.0055110745763013 0.0071463833860134
0.0005915149502180 0.0001261185216050 -0.0024382402771841
-0.0620877911155519 -0.0623836414228878 -0.0070300072878734 -0.0011553820549706
-0.0056610803462556 0.0011654406651817 0.0237730744681627 0.0169478207123966
-0.0025415697202088 -0.0286433535206879 0.0156011057877824 -0.0236800458935524
-0.0066113388584357 -0.0040045057988659 -0.0116591241925374 -0.0026933624337164
0.0013304387146747 0.0019629244983057 -0.0059972849804062
-0.0507425688845505 -0.0699777273051053 -0.0076785522318575 -0.0021637796775686
-0.0063493732480627 0.0004574916352442 0.0255559415964204 0.0176910112969182
-0.0025322621980749 -0.0292507998469259 0.0156911238717844 -0.0247429163709973
-0.0109022645558949 -0.0066570596557683 -0.0172627332880399 -0.0134661531715169
0.0017629854242828 0.0033115332599295 -0.0097011881261227
0.0006207711117911 0.0047735553653093 0.0001312482615332 0.0001209614708165
0.0005811589088953 0.0000684888984229 -0.0009174585930463 -0.0004886305478978
-0.0009542053357999 0.0041005920099610 -0.0007588826847913 -0.0011421342972564
-0.0006657868890407 -0.0001466308125995 0.0027394628076968 -0.0026530305994141
-0.0014887692257684 -0.0016523792639756 0.0005016479263088
$hessian_approx
21 21
0 1 2 3 4 5
0 0.680564 0.009690 0.038909 -0.158744 0.028159 -0.124745
1 0.009690 0.924920 -0.051653 0.011264 -0.049553 0.032641
2 0.038909 -0.051653 0.935957 0.044824 0.023902 -0.074550
3 -0.158744 0.011264 0.044824 0.208168 -0.015174 0.029986
4 0.028159 -0.049553 0.023902 -0.015174 0.039488 -0.012489
5 -0.124745 0.032641 -0.074550 0.029986 -0.012489 0.088056
6 0.012579 -0.020207 -0.044048 -0.029374 0.016192 0.023549
7 0.141314 -0.095967 0.007766 -0.073229 0.024738 -0.054629
8 -0.013871 0.020543 -0.139651 -0.114137 -0.008826 -0.012868
9 -0.114620 -0.058537 -0.054146 -0.029176 -0.044810 0.020891
10 -0.117003 -0.301353 0.013655 0.053415 -0.007110 0.019482
11 0.077044 0.007653 -0.148352 -0.055779 -0.000336 -0.035097
12 -0.173916 0.027131 -0.045501 0.018213 0.007759 -0.001990
13 -0.009448 -0.229225 0.075605 0.008712 -0.003105 0.004766
14 0.023897 0.053089 -0.252266 -0.013664 -0.000640 -0.006885
15 -0.013731 -0.031110 0.027058 -0.040592 0.035110 0.020782
16 -0.014924 -0.215008 -0.087046 -0.015412 -0.000417 -0.006006
17 0.089261 -0.083887 -0.295374 0.002502 0.005615 -0.023305
18 -0.232174 0.061752 0.032850 0.031521 -0.027252 0.031500
19 -0.037873 -0.033795 0.017807 0.030505 -0.004078 0.016127
20 -0.090391 0.021614 -0.025771 0.106142 -0.007241 0.064720
6 7 8 9 10 11
0 0.012579 0.141314 -0.013871 -0.114620 -0.117003 0.077044
1 -0.020207 -0.095967 0.020543 -0.058537 -0.301353 0.007653
2 -0.044048 0.007766 -0.139651 -0.054146 0.013655 -0.148352
3 -0.029374 -0.073229 -0.114137 -0.029176 0.053415 -0.055779
4 0.016192 0.024738 -0.008826 -0.044810 -0.007110 -0.000336
5 0.023549 -0.054629 -0.012868 0.020891 0.019482 -0.035097
6 0.220920 -0.020822 -0.063852 -0.043141 0.039859 -0.018638
7 -0.020822 0.080780 0.069585 -0.013364 0.016105 0.053866
8 -0.063852 0.069585 0.419669 0.089061 -0.043699 0.045379
9 -0.043141 -0.013364 0.089061 0.111169 0.071694 0.008436
10 0.039859 0.016105 -0.043699 0.071694 0.300927 -0.021761
11 -0.018638 0.053866 0.045379 0.008436 -0.021761 0.143920
12 -0.031648 -0.030589 0.073945 0.032612 -0.008417 -0.010744
13 0.004475 -0.008073 -0.039152 0.012952 0.000600 0.034001
14 0.021975 0.014525 -0.055076 -0.007088 0.019626 0.021315
15 -0.042141 0.028707 -0.039182 -0.016402 -0.000541 0.014025
16 -0.015758 0.012528 0.064653 0.028830 -0.032022 -0.051260
17 -0.030127 0.017362 -0.016943 -0.020837 -0.033949 0.039871
18 -0.087242 -0.031877 0.068064 0.059681 -0.039062 -0.014277
19 -0.003455 -0.030047 -0.063067 0.003217 0.022916 -0.022100
20 0.111004 -0.107901 -0.240392 -0.036245 0.046777 -0.067032
12 13 14 15 16 17
0 -0.173916 -0.009448 0.023897 -0.013731 -0.014924 0.089261
1 0.027131 -0.229225 0.053089 -0.031110 -0.215008 -0.083887
2 -0.045501 0.075605 -0.252266 0.027058 -0.087046 -0.295374
3 0.018213 0.008712 -0.013664 -0.040592 -0.015412 0.002502
4 0.007759 -0.003105 -0.000640 0.035110 -0.000417 0.005615
5 -0.001990 0.004766 -0.006885 0.020782 -0.006006 -0.023305
6 -0.031648 0.004475 0.021975 -0.042141 -0.015758 -0.030127
7 -0.030589 -0.008073 0.014525 0.028707 0.012528 0.017362
8 0.073945 -0.039152 -0.055076 -0.039182 0.064653 -0.016943
9 0.032612 0.012952 -0.007088 -0.016402 0.028830 -0.020837
10 -0.008417 0.000600 0.019626 -0.000541 -0.032022 -0.033949
11 -0.010744 0.034001 0.021315 0.014025 -0.051260 0.039871
12 0.144492 -0.003511 -0.003180 -0.041697 -0.000786 -0.026205
13 -0.003511 0.177825 -0.095153 -0.015679 0.039031 -0.013744
14 -0.003180 -0.095153 0.291010 0.022492 0.013108 -0.024775
15 -0.041697 -0.015679 0.022492 0.138269 -0.011441 0.001066
16 -0.000786 0.039031 0.013108 -0.011441 0.194474 0.107799
17 -0.026205 -0.013744 -0.024775 0.001066 0.107799 0.331652
18 0.051917 0.002505 -0.044410 0.016249 0.029482 -0.015693
19 0.008402 0.022871 -0.004568 -0.004878 0.001410 0.000853
20 0.013646 0.033401 0.026642 -0.046355 -0.041250 -0.011310
18 19 20
0 -0.232174 -0.037873 -0.090391
1 0.061752 -0.033795 0.021614
2 0.032850 0.017807 -0.025771
3 0.031521 0.030505 0.106142
4 -0.027252 -0.004078 -0.007241
5 0.031500 0.016127 0.064720
6 -0.087242 -0.003455 0.111004
7 -0.031877 -0.030047 -0.107901
8 0.068064 -0.063067 -0.240392
9 0.059681 0.003217 -0.036245
10 -0.039062 0.022916 0.046777
11 -0.014277 -0.022100 -0.067032
12 0.051917 0.008402 0.013646
13 0.002505 0.022871 0.033401
14 -0.044410 -0.004568 0.026642
15 0.016249 -0.004878 -0.046355
16 0.029482 0.001410 -0.041250
17 -0.015693 0.000853 -0.011310
18 0.160038 0.004036 -0.057812
19 0.004036 0.020665 0.054549
20 -0.057812 0.054549 0.253140
$bmatrix
19 21
0 1 2 3 4 5
0 0.993052 -0.117661 0.002007 -0.993052 0.117661 -0.002007
1 -0.981588 -0.181012 -0.060987 0.000000 0.000000 0.000000
2 -0.513978 -0.854739 -0.072441 0.000000 0.000000 0.000000
3 -0.205013 0.614168 -0.762081 0.000000 0.000000 0.000000
4 -0.195947 0.434848 0.878927 0.000000 0.000000 0.000000
5 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
6 -0.380366 0.515803 0.035940 -0.031848 -0.269164 -0.021348
7 -0.492324 -0.191156 0.321151 0.019934 0.164565 -0.215500
8 0.481180 -0.001027 0.133061 0.000000 0.000000 0.000000
9 0.374263 -0.049200 0.016952 0.000000 0.000000 0.000000
10 -0.483852 -0.108103 -0.354370 0.012993 0.113863 0.246548
11 0.497161 0.009778 -0.124070 0.000000 0.000000 0.000000
12 0.484746 0.287677 -0.549524 0.000000 0.000000 0.000000
13 0.283690 -0.742118 -0.083633 0.000000 0.000000 0.000000
14 0.508904 0.172236 0.589174 0.000000 0.000000 0.000000
15 -0.022382 0.056236 0.193326 0.000000 0.000000 0.000000
16 0.085695 -0.366788 -0.290617 0.000000 0.000000 0.000000
17 -0.058669 0.389242 -0.211009 0.000000 0.000000 0.000000
18 -0.020145 -0.048756 0.468940 0.000000 0.000000 0.000000
6 7 8 9 10 11
0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1 0.981588 0.181012 0.060987 0.000000 0.000000 0.000000
2 0.000000 0.000000 0.000000 0.513978 0.854739 0.072441
3 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
4 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
5 0.013488 0.298109 0.954437 0.000000 0.000000 0.000000
6 0.000000 0.000000 0.000000 0.412214 -0.246639 -0.014592
7 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
8 -0.014516 0.130648 -0.154138 0.000000 0.000000 0.000000
9 0.037224 -0.198942 -0.008657 -0.411487 0.248141 -0.008296
10 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
11 -0.027809 0.090455 0.179117 0.000000 0.000000 0.000000
12 0.000000 0.000000 0.000000 -0.187648 0.075896 0.435881
13 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
14 0.000000 0.000000 0.000000 -0.202450 0.156224 -0.406906
15 -0.513421 -0.134770 -0.161225 0.000000 0.000000 0.000000
16 0.086152 -0.512468 0.134403 0.000000 0.000000 0.000000
17 0.079590 -0.481061 0.146799 0.000000 0.000000 0.000000
18 0.071834 -0.501288 0.331667 0.033509 0.034149 -0.640676
12 13 14 15 16 17
0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
2 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
3 0.205013 -0.614168 0.762081 0.000000 0.000000 0.000000
4 0.000000 0.000000 0.000000 0.195947 -0.434848 -0.878927
5 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
6 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
7 0.472390 0.026591 -0.105651 0.000000 0.000000 0.000000
8 -0.466665 -0.129622 0.021077 0.000000 0.000000 0.000000
9 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
10 0.000000 0.000000 0.000000 0.470859 -0.005760 0.107823
11 0.000000 0.000000 0.000000 -0.469351 -0.100233 -0.055046
12 0.000000 0.000000 0.000000 -0.297098 -0.363573 0.113643
13 -0.140595 0.342037 0.313473 -0.143095 0.400081 -0.229841
14 -0.306455 -0.328460 -0.182268 0.000000 0.000000 0.000000
15 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
16 -0.086649 0.363361 0.316146 0.000000 0.000000 0.000000
17 0.000000 0.000000 0.000000 0.064276 -0.424076 0.224141
18 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
18 19 20
0 0.000000 0.000000 0.000000
1 0.000000 0.000000 0.000000
2 0.000000 0.000000 0.000000
3 0.000000 0.000000 0.000000
4 0.000000 0.000000 0.000000
5 -0.013488 -0.298109 -0.954437
6 0.000000 0.000000 0.000000
7 0.000000 0.000000 0.000000
8 0.000000 0.000000 0.000000
9 0.000000 0.000000 0.000000
10 0.000000 0.000000 0.000000
11 0.000000 0.000000 0.000000
12 0.000000 0.000000 0.000000
13 0.000000 0.000000 0.000000
14 0.000000 0.000000 0.000000
15 0.535803 0.078534 -0.032101
16 -0.085198 0.515896 -0.159931
17 -0.085198 0.515896 -0.159931
18 -0.085198 0.515896 -0.159931