Model name: model_name=EAM_Dynamo_NormanStarikovStegailov_2012_Au__MO_592431957881_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.068500682711602
cohesive_energy=4.299700974521185
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.58971609044262e-20, 9.76613175961236e-20, 1.4088371730453179e-19, 1.8959357198438997e-19, 2.4160663423056595e-19, 3.0183405607925996e-19, 3.6785975516639994e-19, 4.3243228004650197e-19, 4.87060094559366e-19, 5.2923899662605e-19, 5.60298792852774e-19, 5.832291448385819e-19, 6.0181759814625e-19, 6.17937097260924e-19, 6.319817776345679e-19, 6.44196772292184e-19, 6.547855576662899e-19, 6.638634904745339e-19, 6.71478636015936e-19, 6.7769668353249e-19, 6.8254326785034e-19, 6.860263998526559e-19, 6.88130057773098e-19, 6.88833413315424e-19, 6.880419380582279e-19, 6.854175727317359e-19, 6.8052292311486595e-19, 6.728324752716659e-19, 6.6195209375017185e-19, 6.47304994962144e-19, 6.2819743642506e-19, 6.039324713031299e-19, 5.738003353474919e-19, 5.366602787947379e-19, 4.90943770720182e-19, 4.34787479698482e-19, 3.6551416857422396e-19, 2.7989064489999596e-19, 1.74606811749954e-19, 4.585317374143619e-20, -1.1396859181230238e-19, -3.141868379274e-19, -5.65933648074552e-19, -8.85582306147258e-19, -1.3019719915575178e-18, -1.8601110503076597e-18, -2.6251183495099795e-18, -3.6775080715528794e-18, -5.14676813199624e-18, -7.23946716426168e-18, -1.0164048348432599e-17, -1.412595879428682e-17, -1.90902550294368e-17, -2.15234806834926e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.013092802798891745
Energy: 15.816125622770572
Energy: 0.01382480236436095
Energy: 0.013332835277102276
Energy: 15.818262043094343
Energy: 0.013547070725513507
Energy: 15.816126440438595
Energy: 15.410701175583744
Energy: 15.410183584323178
Energy: 15.410943249193334
Energy: 15.410064592344236
Energy: 15.411029430551604
Energy: 0.013824802361472386
Energy: 15.410470688120284
Energy: 15.410679461030433
Energy: 0.013733338941162904
Energy: 15.411015165763366
Energy: 15.410502087382689
Energy: 0.01333283527589183
Energy: 15.816106616071636
Energy: 0.013733338941410498
Energy: 0.013351944461798711
Energy: 15.410057032777521
Energy: 0.01356526329538692
Energy: 15.81822720792746
Energy: 15.410139017281379
Energy: 15.411585291589423
Energy: 15.41073639340042
Energy: 0.08072728523283135
Energy: 15.410582819155485
Energy: 0.013547070726944032
Energy: 15.410963614431518
Energy: 15.410389831026638
Energy: 0.013565263296844961
Energy: 15.409941188171343
Energy: 0.013821151606258101

minimum gb energy = 0.013092802798891745 eV
minimum distance =  2.86936268825327 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 4.495333310960077
Energy: 10.215631174713664
Energy: 4.3466131872561755
Energy: 4.3516649744580125
Energy: 10.189082058365155
Energy: 4.3529943022816795
Energy: 10.356871752652143
Energy: 6.4118948570989875
Energy: 6.406141339285524
Energy: 10.064150273119479
Energy: 2.575479007456826
Energy: 10.09124721112626
Energy: 4.531667326505885
Energy: 4.432288055264158
Energy: 8.174348189830946
Energy: 4.320957971517189
Energy: 4.445787960888638
Energy: 8.174656484840833
Energy: 8.157822474342577
Energy: 8.17310537484042
Energy: 4.358208003858589
Energy: 8.09163283008583
Energy: 8.164501004124528
Energy: 4.355130995687615
Energy: 8.321225256061185
Energy: 2.4412051825520864
Energy: 6.293543873314179
Energy: 4.437966219006714
Energy: 2.4515708551718394
Energy: 6.3114036961217
Energy: 4.448114743128635
Energy: 6.18894560190147
Energy: 6.190365408475462
Energy: 4.329374305422299
Energy: 2.45508100810468
Energy: 6.192961776763696
Energy: 8.078122424322922
Energy: 6.178314552981519
Energy: 4.315340439393546
Energy: 8.047237181074912
Energy: 2.4673998341496253
Energy: 4.336721955914718
Energy: 0.697179323826056
Energy: 4.330454418985274
Energy: 4.338160852326458
Energy: 2.435090908841611
Energy: 4.3135762841485485
Energy: 6.204744950053039
Energy: 4.338172361318111
Energy: 6.193499387619222
Energy: 6.192765821566618
Energy: 4.317995458356007
Energy: 6.192561357254837
Energy: 2.474207085805847
Energy: 0.6997974960311144
Energy: 6.314175753059119
Energy: 6.263846562946808
Energy: 0.61261157399734
Energy: 6.316628707237773
Energy: 6.289773800985195
Energy: 4.799731640574791
Energy: 4.34411447836946
Energy: 4.304307362277302
Energy: 6.31275094641088
Energy: 4.349815855461918
Energy: 8.124983699907572
Energy: 0.6445155923057163
Energy: 6.289015661832437
Energy: 6.290483835705078
Energy: 2.568120671332318
Energy: 8.114328981238101
Energy: 6.288582632661296
Energy: 0.6407736581093472
Energy: 8.285236720854508
Energy: 8.290594398600108
Energy: 4.49933325210692
Energy: 8.146034549951434
Energy: 8.289366347169299
Energy: 8.979276721967734
Energy: 4.355700417026542
Energy: 4.331488710408138
Energy: 8.294126623267728
Energy: 4.357612737878435
Energy: 8.173467781135665
Energy: 0.6639459048279078
Energy: 8.219884096329423
Energy: 8.288582410348855
Energy: 0.6277505666209262
Energy: 8.226794068037712
Energy: 8.28525305562287
Energy: 2.4836136549870633
Energy: 8.090578821852787
Energy: 8.091663077119842
Energy: 2.4597299026583275
Energy: 8.090646690395658
Energy: 4.331445070431968
Energy: 0.7486981307362076
Energy: 4.338555872186097
Energy: 4.343690314061457
Energy: 4.331938773158538
Energy: 4.329014847420049
Energy: 8.093468353463226
Energy: 6.200414819412702
Energy: 2.4792281783126198
Energy: 2.468292861755987
Energy: 6.17489006348449
Energy: 4.375365652046369
Energy: 2.476676767168844
Energy: 2.56246523317783
Energy: 6.186694439140726
Energy: 6.188565021291458
Energy: 2.463635790940756
Energy: 4.302187867136158
Energy: 6.1867728571758125
Energy: 6.350955585399138
Energy: 4.296981867513407
Energy: 6.219273287174084
Energy: 6.2185872049671245
Energy: 4.296685754947452
Energy: 6.224836014797584
Energy: 8.1055717667066
Energy: 6.2581627966608515
Energy: 4.332094807787917
Energy: 8.064446487688919
Energy: 6.249489048919013
Energy: 4.319802593110537
Energy: 4.495072927004126
Energy: 2.4793166390502126
Energy: 6.222492863317984
Energy: 4.301574284111855
Energy: 2.521111541425073
Energy: 6.219900957554501
Energy: 8.427387727500077
Energy: 6.405315282932212
Energy: 6.400888394927396
Energy: 8.20566341159117
Energy: 2.5603809458435935
Energy: 10.09561731927938

minimum gb energy = 0.61261157399734 eV
minimum distance =  0.00012999074966333 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 9.18600275727304
Energy: 12.277405972811312
Energy: 9.09514700147442
Energy: 9.084523370276786
Energy: 2.8155432567347902
Energy: 9.11692019461077
Energy: 12.27540276889477
Energy: 3.9388284371630258
Energy: 2.780285385605118
Energy: 11.241169127501676
Energy: 2.816389693614146
Energy: 3.9386827069829082
Energy: 0.6704975679989433
Energy: 8.233510584343865
Energy: 8.216456605313777
Energy: 0.6735781461282053
Energy: 8.215372852102577
Energy: 8.235022120802594
Energy: 0.8422077939872323
Energy: 8.228387312791837
Energy: 8.217168968861305
Energy: 0.663090056694208
Energy: 8.21880136913492
Energy: 0.6791407936573174
Energy: 8.18134678452018
Energy: 3.7656219161626443
Energy: 3.766839978446932
Energy: 8.230819948600221
Energy: 3.765549053959016
Energy: 11.406291909449521
Energy: 8.03833731807857
Energy: 3.767154711399158
Energy: 11.21221974689151
Energy: 8.01163481508485
Energy: 3.7802231742026158
Energy: 11.210944268379018
Energy: 8.037327386064817
Energy: 3.821207166950328
Energy: 11.214628074066507
Energy: 8.012516447824892
Energy: 3.816214314498712
Energy: 8.013215863355564
Energy: 3.8901161996683253
Energy: 0.6721179123332324
Energy: 0.6730639052419235
Energy: 3.824412270752891
Energy: 0.6716879183259734
Energy: 0.6749581988088734
Energy: 0.7297863946497216
Energy: 0.6701523306037742
Energy: 3.832674946460575
Energy: 3.8241067988546398
Energy: 0.670711020301992
Energy: 3.829107210310644
Energy: 0.7393230392155644
Energy: 3.380030324727033
Energy: 3.379402046299673
Energy: 0.6863803589145149
Energy: 2.7625988297512074
Energy: 2.8027912012236404
Energy: 4.707415337952607
Energy: 9.10185746205326
Energy: 9.100085102061149
Energy: 2.8335064109946932
Energy: 9.084842029692986
Energy: 9.093843707793024
Energy: 0.6945339201859269
Energy: 9.083286906531637
Energy: 11.75848023775192
Energy: 2.807895681525788
Energy: 9.066796754659862
Energy: 2.790738726355547
Energy: 0.6829324152459515
Energy: 8.185462065837156
Energy: 8.222222386346344
Energy: 0.6837738331681379
Energy: 8.216672870852836
Energy: 8.211138408707534
Energy: 15.202745459019969
Energy: 0.6746812877837234
Energy: 0.6800725581747552
Energy: 8.202770344692532
Energy: 0.6659014427223425
Energy: 0.6808051641301706
Energy: 3.7810634112781587
Energy: 8.23651250337853
Energy: 11.38500060357754
Energy: 3.780784251695413
Energy: 8.225674750846212
Energy: 11.382686567617599
Energy: 3.7855647493496782
Energy: 11.211123381583116
Energy: 11.209465631202017
Energy: 3.7862319553609827
Energy: 8.012524511239885
Energy: 11.208156966762628
Energy: 3.84514910948007
Energy: 8.015721813907927
Energy: 8.012499663659073
Energy: 3.808124529060581
Energy: 8.014298684553275
Energy: 8.010972953707839
Energy: 0.7813032535766117
Energy: 3.8152305124281445
Energy: 3.8150878549476985
Energy: 0.6706414996445178
Energy: 3.8139779299693255
Energy: 0.6713793010921552
Energy: 0.7826627860171076
Energy: 3.815880539772921
Energy: 3.8137360945135312
Energy: 0.6698460834783639
Energy: 3.811739323838978
Energy: 3.814586161003327
Energy: 2.865320810537003
Energy: 2.806530864887874
Energy: 2.8024536463520473
Energy: 2.7941091265473093
Energy: 0.7251274723443586
Energy: 2.8040265634820254
Energy: 9.144128035777713
Energy: 11.210778549511643
Energy: 9.082524153616234
Energy: 9.080268590445828
Energy: 2.902866349863622
Energy: 9.08077089607651
Energy: 9.135974387707138
Energy: 2.7858939032883803
Energy: 2.7719503878654863
Energy: 9.080433413642934
Energy: 2.7965963977025483
Energy: 11.196468842014403
Energy: 8.338167208495953
Energy: 8.203034597368884
Energy: 8.2039103792441
Energy: 8.21885534250581
Energy: 0.7280248671815693
Energy: 8.206096867519502
Energy: 0.8437309755733626
Energy: 8.155756099828073
Energy: 8.2060038418938
Energy: 0.6697639254704678
Energy: 8.16925152704259
Energy: 0.6798452151708914
Energy: 8.338991928481512
Energy: 11.369650490389132
Energy: 11.381854630614237
Energy: 8.215012041923334
Energy: 3.7811898900488443
Energy: 11.373605031262242
Energy: 8.03408941028577
Energy: 3.778648343751264
Energy: 3.7642404349227627
Energy: 8.01412541234793
Energy: 3.784996157732101
Energy: 11.209583471927148
Energy: 8.036025463225961
Energy: 8.012127288858931
Energy: 8.012732639428265
Energy: 8.01550780489091
Energy: 0.725024183631153
Energy: 8.016424522009187
Energy: 0.7534043413984495
Energy: 0.6700913816411596
Energy: 0.6710729515194948
Energy: 3.8278842472827392
Energy: 0.6699098119222274
Energy: 3.827044104303639
Energy: 0.7292452384454436
Energy: 0.6700479083856382
Energy: 0.6712223147777925
Energy: 3.8268223311916123
Energy: 0.6701346795482266
Energy: 3.8296421601071016
Energy: 0.7293689149657286
Energy: 2.806642658483691
Energy: 2.806019667772924
Energy: 0.6810540343482453
Energy: 3.3572314203507614
Energy: 3.380526207062112
Energy: 3.4198279920378694
Energy: 9.083400338647873
Energy: 9.08200824090985
Energy: 3.362256848145244
Energy: 9.101736599626946
Energy: 9.103498451227773
Energy: 0.6920676664258203
Energy: 9.081316307132287
Energy: 9.080691118658091
Energy: 3.3751385956266047
Energy: 9.101665400005224
Energy: 11.759526364368051
Energy: 0.6852441096808535
Energy: 8.250418044188692
Energy: 8.222658891167775
Energy: 0.6786837090031461
Energy: 8.233890253887434
Energy: 8.216360337821449
Energy: 16.48478835323499
Energy: 0.6718572113997504
Energy: 0.6806111203698542
Energy: 8.216616521434297
Energy: 0.6714366361808317
Energy: 0.6800872070697968
Energy: 3.7827805645830255
Energy: 8.222445938862602
Energy: 8.217713454371419
Energy: 3.781147252868401
Energy: 8.234721028925122
Energy: 11.373435823749166
Energy: 3.7934943703610173
Energy: 11.209286329471587
Energy: 11.207982561078424
Energy: 3.786559269805498
Energy: 8.01353481449353
Energy: 3.7668260713444806
Energy: 0.6999868837952227
Energy: 8.0151913403841
Energy: 8.014199348132973
Energy: 0.6381255640846923
Energy: 8.01610139405272
Energy: 8.014199940939026
Energy: 0.7828601968184152
Energy: 3.825892495936029
Energy: 3.8293895293075084
Energy: 0.6697286218156311
Energy: 3.8294594976506815
Energy: 3.8417149868053837
Energy: 0.7809540197448848
Energy: 3.8417533770320875
Energy: 3.8292716490364493
Energy: 0.6712581546876504
Energy: 3.827393720628184
Energy: 0.6770412165053282
Energy: 3.843782289469786
Energy: 0.6422820628605893
Energy: 0.6270281871979859
Energy: 3.8319829612925247
Energy: 0.6336131965694237
Energy: 3.9546630272516414
Energy: 9.085738913514174
Energy: 12.300585711543071
Energy: 9.087200241117483
Energy: 9.080395581393716
Energy: 2.787278669558946
Energy: 9.120729763179801

minimum gb energy = 0.6270281871979859 eV
minimum distance =  0.00460501294536286 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 5.65227669296327
Energy: 8.192867180835817
Energy: 10.590869353709403
Energy: 5.518648861760408
Energy: 8.139078757385796
Energy: 5.520601033534641
Energy: 8.4456281111656
Energy: 8.148691245479956
Energy: 8.156992702037632
Energy: 8.07217582319181
Energy: 3.1426515264169583
Energy: 8.047123913933246
Energy: 5.599492713661131
Energy: 5.549871419177887
Energy: 5.549367264360261
Energy: 10.494110747746621
Energy: 5.554145126796148
Energy: 5.517587601127816
Energy: 5.599165196810368
Energy: 5.5489860295863656
Energy: 10.492470143670445
Energy: 5.49821039831937
Energy: 5.5338180621548405
Energy: 5.507529387429032
Energy: 5.790878040051739
Energy: 3.048386311230483
Energy: 3.046757762581249
Energy: 5.519812623834664
Energy: 3.048742198708616
Energy: 7.971348345170524
Energy: 5.519509841448369
Energy: 3.045797884427217
Energy: 3.047821201775668
Energy: 5.459139781512718
Energy: 3.0483764616915385
Energy: 7.940937983451674
Energy: 5.518750934141522
Energy: 3.137629736700358
Energy: 3.0845426204326376
Energy: 5.459684899880055
Energy: 3.138385288152888
Energy: 5.460091985929521
Energy: 6.0933538551295285
Energy: 5.5135431617176005
Energy: 5.513759485929801
Energy: 3.0840253151138324
Energy: 5.5136859438950285
Energy: 5.515397134454502
Energy: 0.6579296988118385
Energy: 5.513415304177272
Energy: 5.513529352607194
Energy: 3.138014599917343
Energy: 5.513288591610071
Energy: 8.055096070618546
Energy: 0.6575778691908661
Energy: 10.589175945204431
Energy: 5.62909045273178
Energy: 0.6215624398701635
Energy: 10.579317618766455
Energy: 5.659620198827957
Energy: 11.60774563604578
Energy: 5.51876731827661
Energy: 5.548036450911172
Energy: 5.6275474446627305
Energy: 5.526480082817365
Energy: 5.540718096728445
Energy: 0.6839228863849425
Energy: 10.644178337032285
Energy: 10.674372141999298
Energy: 0.6341614175532551
Energy: 5.516702959608754
Energy: 10.675317615385513
Energy: 3.076800983045664
Energy: 5.510327595918147
Energy: 7.966644275257836
Energy: 3.0511715830865866
Energy: 5.4994577887761364
Energy: 7.96851229223477
Energy: 0.6829969157021872
Energy: 5.504950555811663
Energy: 5.52907428350864
Energy: 0.6331538448323087
Energy: 5.4995739816810305
Energy: 5.4980371009780145
Energy: 5.547596879158295
Energy: 8.009694791544161
Energy: 3.0724351462096617
Energy: 5.460276104054783
Energy: 8.016444808711302
Energy: 3.0721357406969414
Energy: 5.548873193142507
Energy: 3.0740501946681937
Energy: 3.0744042027130405
Energy: 5.460387343605773
Energy: 3.0744567638112774
Energy: 5.465637987391249
Energy: 3.2123883376711864
Energy: 0.6370979477645242
Energy: 0.6373908617673242
Energy: 3.156856372852566
Energy: 0.6372711300808259
Energy: 0.6369880340601636
Energy: 5.65453080221453
Energy: 8.167176463842521
Energy: 5.581590730860507
Energy: 5.51429148183831
Energy: 8.162407084987011
Energy: 10.592976453569063

minimum gb energy = 0.6215624398701635 eV
minimum distance =  0.0062302013130823 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 12.108369876519408
Energy: 6.579489976463785
Energy: 0.6004910933509653
Energy: 12.110878452302021
Energy: 6.592307891444693
Energy: 0.6006489772086875
Energy: 6.740054112046215
Energy: 6.568984023280885
Energy: 6.569056521997664
Energy: 6.567949480218174
Energy: 6.578190759510976
Energy: 6.568345172066323
Energy: 12.395919650352715
Energy: 12.3572218347154
Energy: 12.356349896449396
Energy: 12.357629315825681
Energy: 6.699247901965359
Energy: 12.356476606109688
Energy: 0.6937692100144491
Energy: 12.336612443625913
Energy: 12.356423013415952
Energy: 0.6010810832637069
Energy: 12.33722295599583
Energy: 12.357856740804117
Energy: 12.395850524805223
Energy: 6.344263452596778
Energy: 6.344557063935038
Energy: 12.357175840512276
Energy: 6.344049870699976
Energy: 6.344164378338673
Energy: 0.6994480613449175
Energy: 0.5678310232479169
Energy: 6.344269151934627
Energy: 6.322824463970617
Energy: 0.5676473864558683
Energy: 6.344310447987052
Energy: 0.6993885803807938
Energy: 6.596144998587999
Energy: 6.596258473234483
Energy: 0.625002895837615
Energy: 6.546905776330492
Energy: 6.596330870342881
Energy: 13.580662353770899
Energy: 0.568318440064791
Energy: 0.569377600619266
Energy: 6.586741471016517
Energy: 0.5681286156575215
Energy: 0.5692286244619112
Energy: 13.58146565468669
Energy: 0.5690095722919041
Energy: 0.5684430716056517
Energy: 6.578995782978121
Energy: 0.5693177151062951
Energy: 0.5681870418200828
Energy: 6.527550848697328
Energy: 12.35704651556196
Energy: 12.357818306878173
Energy: 0.608769938422131
Energy: 12.35668770629333
Energy: 12.336945988272998
Energy: 0.6212596921176216
Energy: 0.6040144086453677
Energy: 0.6094953104311661
Energy: 12.335924475516217
Energy: 0.6032881102331694
Energy: 12.3567090586051
Energy: 6.363593268672687
Energy: 12.358148314576972
Energy: 18.406744135988465
Energy: 6.344610833122163
Energy: 12.357009086199913
Energy: 18.40631569604618
Energy: 0.609303003546067
Energy: 6.344211368206266
Energy: 6.3440700533854235
Energy: 0.5680186735645855
Energy: 6.3228033522512765
Energy: 6.343952732017985
Energy: 6.363515210057077
Energy: 0.6107097280613638
Energy: 6.357746066504105
Energy: 6.346675685548853
Energy: 0.6093822668803689
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Energy: 0.7783570738824082
Energy: 6.5874008271725435
Energy: 6.568346747646521
Energy: 0.569606817626882
Energy: 6.577294293189273
Energy: 0.5685395409391548
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Energy: 0.5691142266529644
Energy: 0.5682421928824338
Energy: 6.587003008145011
Energy: 0.5698237041083444
Energy: 6.7255721302086755
Energy: 0.6053944875924523
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Energy: 6.570028672025942
Energy: 0.6045053518490203
Energy: 6.567434818438808
Energy: 0.6950774268326616
Energy: 12.356247349539041
Energy: 12.356261666299027
Energy: 0.6003225560951222
Energy: 12.336784573562456
Energy: 12.356460075188942
Energy: 0.6930127623600537
Energy: 12.336471932650197
Energy: 12.338165989504963
Energy: 0.6020827673593748
Energy: 18.390316985769708
Energy: 12.356530159956169
Energy: 0.7002234665229933
Energy: 0.5681432534986252
Energy: 6.343924412243975
Energy: 6.325176280743038
Energy: 0.5678122511053811
Energy: 6.343914047450869
Energy: 6.364024647852935
Energy: 6.3441921089981035
Energy: 6.3447836834482
Energy: 6.343919707124164
Energy: 6.3441761182050875
Energy: 6.345232580085631
Energy: 0.6983776405809214
Energy: 6.597536912130704
Energy: 6.596378162547895
Energy: 0.6261231376661333
Energy: 6.597184582770612
Energy: 6.5962508361317616
Energy: 13.580734988216983
Energy: 0.5701398245506742
Energy: 0.5706665233264594
Energy: 6.590856518980076
Energy: 12.109985832156402
Energy: 0.601730694294434
Energy: 0.6232803723540964
Energy: 6.568347370322714
Energy: 6.568246984042534
Energy: 0.6054919120191873
Energy: 0.5975204830124407
Energy: 6.568610384519446
Energy: 6.528061577113832
Energy: 12.356572612710993
Energy: 12.356477543253668
Energy: 6.356816473370994
Energy: 12.357819435955617
Energy: 12.356496529051958
Energy: 0.6852878440106238
Energy: 0.6027095918022626
Energy: 0.6020063078913486
Energy: 12.336327372631361
Energy: 0.6015383780731266
Energy: 12.357008386239007
Energy: 6.363543360728264
Energy: 18.19164873278495
Energy: 6.322753085384378
Energy: 6.363348614244139
Energy: 18.398441260926447
Energy: 6.3447098305454
Energy: 0.6098212784612563
Energy: 6.344281162220251
Energy: 6.34429749962279
Energy: 0.5696861625517319
Energy: 6.323182970153485
Energy: 6.344409812440035
Energy: 6.3634611993252035
Energy: 0.611591262981033
Energy: 0.6081155224905823
Energy: 6.3794308915768045
Energy: 0.6104503663921184
Energy: 6.596551231169404
Energy: 0.7784735740627461
Energy: 6.588659479993488
Energy: 0.5689403276301274
Energy: 0.5678849721775354
Energy: 6.578917774289571
Energy: 0.5692335780462225

minimum gb energy = 0.5676473864558683 eV
minimum distance =  2.70586553210404 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.6853213594072022
Energy: 11.534263631801554
Energy: 7.8498484792548755
Energy: 0.5094574694940439
Energy: 11.530792918263463
Energy: 7.863971417312752
Energy: 11.589314218324018
Energy: 4.242598224128928
Energy: 4.169407059473612
Energy: 11.491853249406278
Energy: 4.242635996455715
Energy: 11.498066705121806
Energy: 7.762473675672286
Energy: 11.33486379464892
Energy: 11.33412380602951
Energy: 7.74212769457151
Energy: 4.202274969466397
Energy: 7.728102064191433
Energy: 7.766881077366708
Energy: 7.729889363902403
Energy: 7.742283963659867
Energy: 7.745923324655901
Energy: 7.731943215123975
Energy: 7.740767887330452
Energy: 0.6823665733273712
Energy: 0.5384702016238547
Energy: 4.1657166900805
Energy: 4.176716125002641
Energy: 0.52202456254412
Energy: 4.168640896532058
Energy: 8.479451893838222
Energy: 7.6099768470014375
Energy: 0.5212722102144789
Energy: 4.19048417455644
Energy: 7.609914012735559
Energy: 0.5204404257405821
Energy: 0.5947705661773514
Energy: 11.492157877885845
Energy: 11.492713055864888
Energy: 0.5776888516912755
Energy: 11.492774519279296
Energy: 0.5533037385382847
Energy: 16.512039295960026
Energy: 7.7454611620564835
Energy: 0.5290686747372377
Energy: 7.829583551150916
Energy: 7.746058259095911
Energy: 0.5294705502953666
Energy: 0.6369343034314998
Energy: 0.5284721366481693
Energy: 7.7996934160466305
Energy: 7.84493574267341
Energy: 0.5289546345541601
Energy: 7.8503496557393255
Energy: 0.5804375203202857
Energy: 4.063271066452738
Energy: 4.076483733771482
Energy: 4.0776837117461575
Energy: 4.064333492376399
Energy: 4.0783415216452825
Energy: 4.095679623985484
Energy: 11.224625840864086
Energy: 11.22388489285284
Energy: 4.077313843384845
Energy: 7.701241961548945
Energy: 4.045719584918419
Energy: 7.914617080707549
Energy: 4.161727579311937
Energy: 4.174644243897632
Energy: 11.491493090243798
Energy: 4.241998007734246
Energy: 11.466590518568815

minimum gb energy = 0.5094574694940439 eV
minimum distance =  0.00052344874025077 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 4.892360951977948
Energy: 10.729679516260179
Energy: 4.604562718257502
Energy: 4.587353973105587
Energy: 6.88394101066625
Energy: 4.608968548780851
Energy: 10.783580583801452
Energy: 6.609494234576121
Energy: 6.612871644100305
Energy: 10.721245734482032
Energy: 2.576742664647288
Energy: 6.61384408775905
Energy: 4.538189853667119
Energy: 2.5227641146906663
Energy: 6.540209031618038
Energy: 4.524114732878105
Energy: 2.518367640714257
Energy: 6.536596745726055
Energy: 4.541238828178342
Energy: 4.52255806809624
Energy: 4.527948419899982
Energy: 4.5224377573004135
Energy: 0.5082276650448955
Energy: 4.5278248801595975
Energy: 0.5550222984610766
Energy: 8.677877698078564
Energy: 4.579844656037495
Energy: 2.555147060711876
Energy: 8.682364944381208
Energy: 6.645813763346531
Energy: 4.956967999649872
Energy: 4.584186838670723
Energy: 8.692301718369002
Energy: 6.6481801493813935
Energy: 4.5853403195329046
Energy: 8.691021622363802
Energy: 0.5112106334416412
Energy: 2.4962228157474637
Energy: 2.506692219865827
Energy: 0.512390202730354
Energy: 10.70661212619475
Energy: 2.4959698088866045
Energy: 0.5034483033816812
Energy: 4.523297042843851
Energy: 8.590701439488626
Energy: 4.5801281992747995
Energy: 4.521999769263565
Energy: 8.603686440512543
Energy: 2.545208448285932
Energy: 8.591803868279984
Energy: 4.563884927385235
Energy: 2.5327191797396638
Energy: 8.605840114992812
Energy: 4.584061767845359
Energy: 4.623406947175583
Energy: 6.639084487305567
Energy: 6.63596148726789
Energy: 4.5863876111226585
Energy: 2.560946107353514
Energy: 4.585781755036526
Energy: 4.617598423038054
Energy: 2.555748533439838
Energy: 6.639270264912417
Energy: 4.589757996375779
Energy: 2.5535310038403805
Energy: 6.632004560861206
Energy: 8.714794293779244
Energy: 4.544785634026978
Energy: 4.548124101395495
Energy: 8.638502897914673
Energy: 0.5133155428514168
Energy: 4.571996304151031
Energy: 4.755035088387313
Energy: 8.664106442197173
Energy: 4.5627166087379845
Energy: 4.630901995485227
Energy: 4.603752690836593
Energy: 4.594389325400981
Energy: 8.713041206849319
Energy: 6.555772276645143
Energy: 6.559481765902435
Energy: 8.639866026750928
Energy: 2.5263642325905824
Energy: 6.594667493560248
Energy: 0.5146369800743195
Energy: 4.4523986620463525
Energy: 4.452510485440471
Energy: 2.518395501018373
Energy: 4.4563510215456725
Energy: 6.481748977912441
Energy: 0.5123407903737532
Energy: 2.5225367230807123
Energy: 2.507483159191314
Energy: 0.5012160186460879
Energy: 2.522480569472764
Energy: 2.516827100123293
Energy: 0.5130747215412819
Energy: 8.66112460653106
Energy: 4.527202745830156
Energy: 4.610011967472506
Energy: 8.68047724727239
Energy: 8.66538587832079
Energy: 9.510988915657453
Energy: 4.566940345451887
Energy: 8.674391952408975
Energy: 8.677572269992247
Energy: 4.566003271667298
Energy: 8.685446157256797
Energy: 2.480559481050051
Energy: 4.585722925868479
Energy: 6.572258565637524
Energy: 2.466009036045296
Energy: 4.597288102414628
Energy: 6.573056639742935
Energy: 2.481603273991632
Energy: 6.480730773340678
Energy: 6.478307884448446
Energy: 2.469776863650677
Energy: 4.482733837101119
Energy: 6.474962338149001
Energy: 6.7876629680517455
Energy: 4.483084939644911
Energy: 0.4862236820239049
Energy: 6.656166624999108
Energy: 4.482926619788941
Energy: 2.5421763746939163
Energy: 4.892824921887569
Energy: 10.709876806013895
Energy: 8.661005481753417
Energy: 4.553898807593855
Energy: 6.664098262633603
Energy: 4.591535016407204
Energy: 4.596770842459666
Energy: 6.609996582782782
Energy: 10.711354076255109
Energy: 4.557072631456715
Energy: 6.629949842314543
Energy: 8.66012964160046
Energy: 4.536135616413695
Energy: 2.5186157284324193
Energy: 2.5217200437774703
Energy: 4.496351707387359
Energy: 2.5181526718766727
Energy: 0.48312709409939425
Energy: 4.5358138333053954
Energy: 6.537931854488069
Energy: 6.538558334589179
Energy: 4.5229509779500345
Energy: 2.50421849157793
Energy: 4.522933814874937
Energy: 4.540454495535373
Energy: 6.593423462184489
Energy: 6.590414205502691
Energy: 4.496304750007559
Energy: 6.603429092648233
Energy: 6.649038462176796
Energy: 4.954032256745217
Energy: 4.588406976300617
Energy: 4.590104991682749
Energy: 6.599015750482103
Energy: 4.589550289599133
Energy: 8.692620659149515
Energy: 0.5180764575734321
Energy: 6.609539409974499
Energy: 6.642609835231467
Energy: 0.5134764990872387
Energy: 6.606628426197956
Energy: 6.648339544143327
Energy: 0.5017807569402744
Energy: 8.602146098751906
Energy: 4.580801631920757
Energy: 0.5020844080463075
Energy: 8.60558429008139
Energy: 4.579609106843711
Energy: 0.4956773854777347
Energy: 4.5234870841598855
Energy: 8.590919751002067
Energy: 4.563459065406539
Energy: 4.521983411357438
Energy: 8.603998009789258
Energy: 4.618056999899832
Energy: 2.5398854647140046
Energy: 6.640068541304554
Energy: 4.539465207006916
Energy: 2.5385171368961497
Energy: 6.633081422951328
Energy: 4.622161483621973
Energy: 6.633963460562429
Energy: 6.637512897534214
Energy: 4.586236460268046
Energy: 2.5519481788269034
Energy: 4.585563418329515
Energy: 6.854955858593643
Energy: 0.5168197008239196
Energy: 0.5179084717146417
Energy: 6.582127121713688
Energy: 0.5132460291980561
Energy: 2.490651117958773
Energy: 4.609049230662073
Energy: 8.70519232386846
Energy: 8.704188197089694
Energy: 4.564781528852781
Energy: 4.603557190235635
Energy: 4.551473351120567
Energy: 4.608815274195835
Energy: 4.5919256580765255
Energy: 8.702911136941013
Energy: 4.5480461067519515
Energy: 4.601991340941625
Energy: 8.667870115240703
Energy: 0.5277282800520345
Energy: 4.452562826439865
Energy: 6.477994537160802
Energy: 2.5183399996644686
Energy: 4.452560819243869
Energy: 2.5180748990919337
Energy: 0.5144536620420235
Energy: 6.4876194153971225
Energy: 2.5255353482779905
Energy: 0.501664248044671
Energy: 6.487354954953939
Energy: 2.523342874349662
Energy: 0.5132926425428382
Energy: 8.695472985388315
Energy: 8.685396921044624
Energy: 0.4967857456319241
Energy: 8.687442295705523
Energy: 8.666563360427322
Energy: 9.517255715077187
Energy: 4.694458338281191
Energy: 4.6918431299457
Energy: 8.677027864656832
Energy: 4.571232640366313
Energy: 8.799138375339346
Energy: 2.4804890228050476
Energy: 8.685776430184454
Energy: 8.685584101463627
Energy: 2.4610212565449916
Energy: 8.695806983888685
Energy: 8.666229568077776
Energy: 2.479525632639297
Energy: 6.478697685185217
Energy: 2.467246801525145
Energy: 2.466312239484972
Energy: 4.482314392551879
Energy: 2.4668143575151835
Energy: 2.4787988820285998
Energy: 4.483293673391704
Energy: 4.482878327801433
Energy: 2.4597379732497133
Energy: 4.483452082777746
Energy: 4.5064959015722605
Energy: 4.596911702035923
Energy: 6.608827027704969
Energy: 10.711648622411452
Energy: 4.5561538381377815
Energy: 6.627003625682974
Energy: 8.660670476581323

minimum gb energy = 0.48312709409939425 eV
minimum distance =  0.000632959170945557 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.4057843339930651
Energy: 7.238349444086048
Energy: 0.23233994939683075
Energy: 0.21233574043475978
Energy: 4.943150271144222
Energy: 0.39790669549421326
Energy: 7.396497270561465
Energy: 7.24762500393561
Energy: 4.943058622579211
Energy: 4.920648187022992
Energy: 4.957893890164393
Energy: 7.231843937101483
Energy: 16.651613152021607
Energy: 7.2020293573164205
Energy: 7.231648057181852
Energy: 16.65136213179711
Energy: 7.267718347977714
Energy: 23.407127422983258
Energy: 16.650922013132554
Energy: 7.296529358955081
Energy: 16.652512244847028
Energy: 16.63947834665487
Energy: 7.257075147830319
Energy: 16.65099286394374
Energy: 0.5385969515241008
Energy: 0.32136619161052493
Energy: 0.3142404261655497
Energy: 4.90564447981998
Energy: 0.21132071561700624
Energy: 4.900845785875084
Energy: 6.13372156624138
Energy: 0.3100029802636037
Energy: 0.310731341513227
Energy: 4.902834214269848
Energy: 0.21105230504986996
Energy: 0.23094352959318545
Energy: 7.286609544989067
Energy: 6.127530069412298
Energy: 6.128284189264034
Energy: 7.284076689177483
Energy: 4.890633944457415
Energy: 4.889242750209813
Energy: 7.369203490559585
Energy: 16.638474913524757
Energy: 23.381434327075223
Energy: 7.3711651696369325
Energy: 16.782204504121864
Energy: 23.382820081199522
Energy: 4.84131922063052
Energy: 16.63548965315755
Energy: 16.63309914856241
Energy: 4.842426507390672
Energy: 16.63407360515762
Energy: 4.848174749481657
Energy: 0.21635048606050494
Energy: 4.8611294448565
Energy: 0.23089904676691198
Energy: 0.21097133346064442
Energy: 4.861389884172073
Energy: 0.2134240298207952
Energy: 0.21074394145940953
Energy: 4.863028254436162
Energy: 4.863238144588187
Energy: 0.2111616166295747
Energy: 4.862777289272533
Energy: 0.2341659281961439
Energy: 16.65983835257669
Energy: 7.232125813133981
Energy: 7.248998184882104
Energy: 16.64402509840967
Energy: 7.233821598459825
Energy: 7.253655629899482
Energy: 16.685108981892267
Energy: 7.23833201917635
Energy: 23.390873974501417
Energy: 16.68211143368376
Energy: 7.239000921628524
Energy: 23.398218297087745
Energy: 0.5240367798926107
Energy: 4.881556961793453
Energy: 4.9018810604971215
Energy: 0.49657267515497755
Energy: 6.12020550959592
Energy: 6.138851124207807
Energy: 6.138326181548179
Energy: 0.2110216767347951
Energy: 0.2111932661193832
Energy: 6.138231113915822
Energy: 0.31212390651059874
Energy: 0.3139662824333022
Energy: 0.512896716773613
Energy: 4.887348181146464
Energy: 4.890641459682711
Energy: 6.144706036715332
Energy: 0.30982852192673743
Energy: 6.13765588351421
Energy: 7.242729300290617
Energy: 16.6396027147159
Energy: 23.440185283900508
Energy: 7.2480556838462675
Energy: 16.630977955616583
Energy: 23.431389882587794
Energy: 7.244866606143201
Energy: 16.67215731847095
Energy: 16.670335473682805
Energy: 7.254543233220285
Energy: 16.66476820962262
Energy: 16.637213319937818
Energy: 0.4062575455699295
Energy: 7.237627364526792
Energy: 4.942210797692307
Energy: 0.2115069591269417
Energy: 4.945795314364324
Energy: 7.276035829627965

minimum gb energy = 0.21074394145940953 eV
minimum distance =  1.54661803399615e-05 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 4.09275198957678
Energy: 9.37050989509895
Energy: 7.339395674923158
Energy: 3.8943741022470175
Energy: 9.36829142614779
Energy: 7.458429449143272
Energy: 9.063219007925385
Energy: 5.593467452458459
Energy: 5.594307274595873
Energy: 9.015373872529688
Energy: 2.133363517413375
Energy: 8.973973581221932
Energy: 3.8495779561474
Energy: 2.1154053176834453
Energy: 2.1084169018964256
Energy: 3.850793437868238
Energy: 2.11170566164694
Energy: 5.51811053079859
Energy: 3.8493591795050337
Energy: 2.1225490844516948
Energy: 2.1156081096607395
Energy: 3.8506334674216203
Energy: 2.109500238566609
Energy: 3.819569501161698
Energy: 0.3981539876048002
Energy: 7.269250470224967
Energy: 7.265095618953343
Energy: 7.335541512816519
Energy: 3.8690544953653494
Energy: 10.698381956489815
Energy: 7.956827077869065
Energy: 3.8510888313339424
Energy: 3.8593113432174264
Energy: 7.335703770676744
Energy: 3.8371488276178707
Energy: 7.306014979910893
Energy: 2.131416617547263
Energy: 7.3182774007585305
Energy: 5.5931164090138905
Energy: 2.1322543828608778
Energy: 7.333058653443283
Energy: 5.549684629013524
Energy: 3.8257136818437143
Energy: 2.112384472298435
Energy: 2.1124306333082075
Energy: 3.8272009774071654
Energy: 2.114512054777615
Energy: 5.506547869314275
Energy: 5.675858801062881
Energy: 0.4198767131268368
Energy: 0.4199446385460638
Energy: 5.549922186912956
Energy: 0.40004410234488014
Energy: 0.4324920969242649
Energy: 3.9760799173529144
Energy: 7.3276484487415985
Energy: 7.309415365345302
Energy: 3.846553403649736
Energy: 7.3267664046773815
Energy: 7.27605758162669
Energy: 7.306695234152839
Energy: 7.312178869892865
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Energy: 7.2676132923833
Energy: 3.861601571196863
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Energy: 0.5085818399123581
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Energy: 5.5800171294666905
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Energy: 5.5559769244164485
Energy: 0.4627147071864296
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Energy: 3.8187234882185996
Energy: 2.152352793517049
Energy: 3.8544414430464062
Energy: 5.556632305628499
Energy: 0.46443603841668474
Energy: 3.8404461016808957
Energy: 3.846366016637602
Energy: 0.41807268069292924
Energy: 7.295812824305869
Energy: 3.849088859322187
Energy: 7.9323234586857945
Energy: 3.95405594629475
Energy: 3.9531861346370207
Energy: 3.873743423624193
Energy: 3.848776744395582
Energy: 7.369679912268448
Energy: 5.6209418839426375
Energy: 7.27166779958876
Energy: 5.556703866142415
Energy: 5.574820607844804
Energy: 7.269014841173802
Energy: 5.55720920739641
Energy: 3.8564746816706563
Energy: 5.748122343443536
Energy: 3.838211748141516
Energy: 3.8578937797128634
Energy: 5.614821176145211
Energy: 7.283124901649634
Energy: 7.2726030036393885
Energy: 5.574146415440099
Energy: 5.585135646188955
Energy: 7.273269216914498
Energy: 2.13516711266071
Energy: 5.550015959135699
Energy: 7.247808852106165
Energy: 3.8419458112376335
Energy: 3.8556496284312085
Energy: 7.246548195566034
Energy: 0.41295732370626514
Energy: 3.84486015311803
Energy: 3.8417692653830726
Energy: 3.8501011326825094
Energy: 3.847885738909297
Energy: 3.8429653755734283
Energy: 3.8546752598007408
Energy: 7.254974740589682
Energy: 3.8791523055538026
Energy: 8.983869514397668
Energy: 8.977117870274308
Energy: 5.582038745391697
Energy: 7.264165516787715
Energy: 5.5811225347841145
Energy: 11.70705279571496
Energy: 3.8709023862979923
Energy: 3.868645124896378
Energy: 5.593185981397149
Energy: 3.8443544191415246
Energy: 7.455356970381518
Energy: 0.4000217008705574
Energy: 5.58631305625096
Energy: 5.5772150070028745
Energy: 0.42190849127871755
Energy: 8.995159877698391
Energy: 5.579434894582057
Energy: 2.1471161204776785
Energy: 3.8492117981808125
Energy: 3.8252032515043144
Energy: 2.147991498127231
Energy: 3.843137539685696
Energy: 5.530588907177477
Energy: 0.46902429197600254
Energy: 3.844203565811432
Energy: 3.8416801650579573
Energy: 0.42122513762429936
Energy: 3.8412482128670575
Energy: 3.8442926749893847
Energy: 7.338159239660873
Energy: 9.059079800415764
Energy: 8.999297429883637
Energy: 7.263909088800357
Energy: 5.607929343064884
Energy: 7.335154997407249

minimum gb energy = 0.3981539876048002 eV
minimum distance =  0.00118308382814803 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 5.8803759388142725
Energy: 8.551803312051485
Energy: 5.944739692866499
Energy: 5.881333778419049
Energy: 8.581954858759762
Energy: 5.871933457242288
Energy: 8.652002235512638
Energy: 3.1814452736677157
Energy: 8.596203571536705
Energy: 8.561825222057507
Energy: 3.1739071318957555
Energy: 8.532334982129548
Energy: 5.866537543727487
Energy: 3.1271244563695717
Energy: 3.1269164000413148
Energy: 5.867809138263965
Energy: 3.1272128777541557
Energy: 3.1268938355645592
Energy: 5.867015224775869
Energy: 3.134117161334777
Energy: 3.1087256455846917
Energy: 5.868016725644845
Energy: 3.125930945783187
Energy: 3.088163833035938
Energy: 0.43652000429237814
Energy: 5.855409451845989
Energy: 5.8624462960826405
Energy: 5.9227383554207025
Energy: 5.866422310594261
Energy: 11.307554992669878
Energy: 12.306083561491276
Energy: 5.846278769812447
Energy: 5.863268812180157
Energy: 5.9108045975649794
Energy: 5.864237110067883
Energy: 5.865505740937286
Energy: 3.1676649558185317
Energy: 8.545500342358597
Energy: 8.544508024622237
Energy: 3.1689753772014364
Energy: 5.907996743507821
Energy: 8.543739244142099
Energy: 5.825758195801831
Energy: 3.130300927271778
Energy: 3.1300269403597345
Energy: 5.827426609206065
Energy: 3.1297138129118585
Energy: 5.842573526776977
Energy: 8.786707113379148
Energy: 0.44110443930566196
Energy: 3.141497629910544
Energy: 8.545397061982602
Energy: 0.4410650029306432
Energy: 3.143847203782935
Energy: 5.854607781638871
Energy: 5.844285816415442
Energy: 5.864733332054203
Energy: 5.8567345290151085
Energy: 5.874482308415303
Energy: 5.865371006209731
Energy: 5.858122327590216
Energy: 5.86310071641134
Energy: 5.864387658751653
Energy: 5.836662317810811
Energy: 5.864685242666275
Energy: 5.862655048975712
Energy: 6.481066186180281
Energy: 5.821006223775911
Energy: 5.819922946983968
Energy: 3.185421961066872
Energy: 5.883347468278942
Energy: 8.535690774848929
Energy: 6.378082250415674
Energy: 5.809395504875205
Energy: 5.819916055166213
Energy: 3.1864603828402527
Energy: 5.883190543861091
Energy: 5.819781661062409
Energy: 0.43895514710248196
Energy: 8.507559591239316
Energy: 0.4360110988835243
Energy: 0.4394774004341272
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Energy: 0.45762361687673964
Energy: 3.202006567942775
Energy: 5.854742386936065
Energy: 5.853998202025171
Energy: 3.2012468086064305
Energy: 5.85346537478512
Energy: 8.449625958767939
Energy: 8.65425065868305
Energy: 5.849019838755776
Energy: 5.8327674002396925
Energy: 8.571942026859618
Energy: 5.85470059661385
Energy: 3.1675543761888676
Energy: 5.880073799430726
Energy: 8.577745645076101
Energy: 5.9002604387132855
Energy: 5.882913399081207
Energy: 8.576534242118832
Energy: 5.822046666036355
Energy: 5.953900597345412
Energy: 8.617384061896232
Energy: 8.563928040887626
Energy: 5.84692113609823
Energy: 8.572062423735554
Energy: 5.864537912312235
Energy: 5.866953557389779
Energy: 3.1258051223802616
Energy: 3.125934445287841
Energy: 0.43927534666221985
Energy: 3.1257979075009934
Energy: 3.086827116152304
Energy: 5.8650077712267965
Energy: 3.0935430624969547
Energy: 3.0940041404554877
Energy: 5.866187516326643
Energy: 3.125990705917661
Energy: 3.095292739715267
Energy: 0.43644064383182624
Energy: 11.280788306541014
Energy: 11.28287595893305
Energy: 0.4545093010421352
Energy: 11.27698062412302
Energy: 5.8999015206799985
Energy: 12.310962305954009
Energy: 5.851079455990599
Energy: 5.865528152579869
Energy: 5.949817933070305
Energy: 5.850511890412603
Energy: 5.876980098512024
Energy: 3.1670147626654637
Energy: 11.272353626673981
Energy: 5.903246814947408
Energy: 3.1683968852284914
Energy: 11.274489581280118
Energy: 8.544159943330792
Energy: 5.825993569055434
Energy: 3.129692891838378
Energy: 3.1536972843078703
Energy: 5.827370152499724
Energy: 3.130007983208062
Energy: 5.823926457928512
Energy: 3.1678265404347123
Energy: 3.123192741641517
Energy: 3.1228363808749457
Energy: 3.169291295609623
Energy: 0.44239949305294113
Energy: 3.123598413267763
Energy: 5.857708086775349
Energy: 5.8633715064781144
Energy: 5.863932983014874
Energy: 5.851310036907066
Energy: 5.874222734501681
Energy: 5.862567035654731
Energy: 5.855311570026515
Energy: 5.864532983963641
Energy: 5.8653746154952
Energy: 5.857001069002819
Energy: 5.88961132991558
Energy: 5.8637644723045605
Energy: 5.913852236872102
Energy: 5.820248893441807
Energy: 8.515161051262819
Energy: 3.1364503430542148
Energy: 5.883840366321788
Energy: 8.535991603163822
Energy: 6.37821167525349
Energy: 5.878031936126363
Energy: 5.8197861767957235
Energy: 3.198304384252919
Energy: 5.880261259504467
Energy: 5.819311661240374
Energy: 0.4390293163566367
Energy: 3.1718637061572994
Energy: 3.167769676283955
Energy: 0.43828051202263413
Energy: 3.168701841549101
Energy: 3.1592524689599295
Energy: 3.1873942991968165
Energy: 5.853002044655043
Energy: 5.832265619547498
Energy: 3.1871606798918797
Energy: 5.8553431850159665
Energy: 8.450292741268898
Energy: 3.2179348391467695
Energy: 5.830852691109397
Energy: 5.830886431836851
Energy: 3.2086005011581347
Energy: 5.854854992926936
Energy: 5.830314877580393
Energy: 5.882477626368125
Energy: 8.566290789219053
Energy: 5.854435789945836
Energy: 5.886085872003987
Energy: 8.597091222842522
Energy: 5.854318370254011

minimum gb energy = 0.4360110988835243 eV
minimum distance =  0.000464644930142146 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.5509326200098502
Energy: 11.882005491561143
Energy: 8.030684972068375
Energy: 0.5487219535829564
Energy: 11.878697197941413
Energy: 8.073285498883193
Energy: 11.923291037252207
Energy: 4.254364324809738
Energy: 4.2496087735255985
Energy: 11.894115451622788
Energy: 4.321488647394664
Energy: 11.79743945253224
Energy: 8.081395089857084
Energy: 4.256990179564865
Energy: 4.249798335618921
Energy: 8.082396605896529
Energy: 4.253630327953931
Energy: 4.181307324127208
Energy: 0.4933695772948223
Energy: 4.234683545847812
Energy: 4.202050944081946
Energy: 0.4929480278927125
Energy: 4.231998810867442
Energy: 4.203618974874598
Energy: 0.487757208692201
Energy: 0.47242443100443593
Energy: 8.071184054288636
Energy: 8.10494707662933
Energy: 0.4884564355113748
Energy: 8.067303539400232
Energy: 17.031715807410098
Energy: 8.046869125823582
Energy: 0.4584618905807428
Energy: 8.117966866745183
Energy: 8.023466998765919
Energy: 0.45858317728047315
Energy: 4.325772073623555
Energy: 11.903179413361945
Energy: 11.673168208039856
Energy: 4.325201502846163
Energy: 11.901486986938972
Energy: 4.242821092322872
Energy: 8.030951640306284
Energy: 4.249624944524345
Energy: 0.4669363209226667
Energy: 8.032573374423405
Energy: 4.251909358191548
Energy: 0.4669211823223189
Energy: 4.32388805492513
Energy: 4.244843127675214
Energy: 4.243430392105935
Energy: 4.306977161129916
Energy: 0.45724419926833093
Energy: 4.234347037065108
Energy: 8.07248232908919
Energy: 11.713689778370208
Energy: 8.024713552393566
Energy: 8.071543732326585
Energy: 11.795741514928379
Energy: 8.024378320266088
Energy: 8.081256808047904
Energy: 8.025389221989535
Energy: 8.00331269898448
Energy: 8.079262624738238
Energy: 0.4605717120738729
Energy: 8.024700376783633
Energy: 8.890832782772701
Energy: 8.021140415315628
Energy: 8.019631368268175
Energy: 4.322875800375876
Energy: 8.00758518639448
Energy: 8.020308958208798
Energy: 8.805480886155443
Energy: 8.022713901146206
Energy: 8.019786393690124
Energy: 4.325027668705878
Energy: 8.007098872103802
Energy: 8.020206238810077
Energy: 4.253493713140567
Energy: 4.290004582849583
Energy: 4.24860021751688
Energy: 4.254386546043782
Energy: 4.29086305577216
Energy: 4.200931779807661
Energy: 0.46996190845289904
Energy: 11.80252964654944
Energy: 4.201096410182193
Energy: 4.252948737935813
Energy: 11.798389187420572
Energy: 4.2021672274235256
Energy: 11.990698463130228
Energy: 0.4865558601642417
Energy: 0.47053077730458215
Energy: 11.817125872766649
Energy: 0.485962400989684
Energy: 8.073880472251611
Energy: 8.072800396934245
Energy: 8.106699421827678
Energy: 0.4726435954294659
Energy: 8.071162378901027
Energy: 8.105965922247252
Energy: 0.469758526390079
Energy: 0.5221941783400375
Energy: 8.026751796599225
Energy: 8.025305566731202
Energy: 0.48785358958023073
Energy: 8.104859638571245
Energy: 8.080941248228454
Energy: 0.49099220077082656
Energy: 0.4559640298859729
Energy: 0.45590639895561186
Energy: 4.252555915327859
Energy: 8.038144886874388
Energy: 4.2432014963081786
Energy: 0.46006213990112604
Energy: 0.45690566968491947
Energy: 0.45685873637552493
Energy: 4.2455280977503485
Energy: 0.4611801663034866
Energy: 4.243105059088597
Energy: 0.4569473265550929
Energy: 8.028316798017073
Energy: 8.02789972767762
Energy: 0.457389280441939
Energy: 7.996149443231792
Energy: 8.026089945371622
Energy: 4.273060696399206
Energy: 8.058345782142018
Energy: 8.045899111814101
Energy: 4.272920216087462
Energy: 8.058995383197376
Energy: 7.971640352425494
Energy: 11.921833611370351
Energy: 8.051354698687478
Energy: 4.2510888119313135
Energy: 11.924602749581117
Energy: 8.022868320494165
Energy: 4.326709050390374
Energy: 0.5508426388132741
Energy: 11.87822494233373
Energy: 8.006790168994032
Energy: 8.109877357338918
Energy: 11.873304748052815
Energy: 8.020312262195413
Energy: 8.12687477708347
Energy: 4.252617356633465
Energy: 11.86549273758015
Energy: 8.010820076428342
Energy: 4.31469209065577
Energy: 11.674644614951022
Energy: 0.49381234618466396
Energy: 4.250272932704182
Energy: 4.182030396787308
Energy: 0.4928347300325566
Energy: 4.252213321515692
Energy: 4.200877525324928
Energy: 8.080985561108655
Energy: 4.234774654933207
Energy: 4.200844624228312
Energy: 8.081940958319926
Energy: 4.253381513806974
Energy: 4.201236133153678
Energy: 0.48772337750560557
Energy: 8.072933796168469
Energy: 8.071691636679128
Energy: 8.105044939965792
Energy: 0.4866842907381731
Energy: 8.067264521226942
Energy: 17.031502508604685
Energy: 8.05678088163822
Energy: 0.45865088253033176
Energy: 8.118191038566282
Energy: 8.057484527443812
Energy: 0.4600148394797834
Energy: 4.324034377872254
Energy: 11.902380154706456
Energy: 11.660481154739905
Energy: 4.323545739915304
Energy: 8.109773838124806
Energy: 11.669841626161181
Energy: 8.030794611518834
Energy: 4.249858923960327
Energy: 0.4673100437949364
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Energy: 0.4674542921882274
Energy: 4.325460490395219
Energy: 4.243737423927672
Energy: 4.243607470513122
Energy: 4.32384955119754
Energy: 0.45809014153275546
Energy: 4.2433648433782825
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Energy: 11.710418506956705
Energy: 8.02493732492537
Energy: 8.073399282552744
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Energy: 8.023595476606225
Energy: 8.076922780515714
Energy: 8.003489090097412
Energy: 8.024115740170231
Energy: 8.075545963699776
Energy: 0.4581809180851636
Energy: 8.002377439763158
Energy: 0.5183353068810306
Energy: 8.020276918429694
Energy: 8.019888981442582
Energy: 4.322080698276928
Energy: 8.02295549478791
Energy: 11.865369017912318
Energy: 8.80515439497991
Energy: 8.00667447391874
Energy: 8.020116588135648
Energy: 4.326248196261868
Energy: 8.023255295855481
Energy: 8.02096449641562
Energy: 4.254871459160818
Energy: 4.29094464665249
Energy: 4.290111249653486
Energy: 4.255667795224006
Energy: 4.292594949944543
Energy: 4.25326095816055
Energy: 0.46995831672529936
Energy: 11.654186631129383
Energy: 4.18826130727987
Energy: 0.4714879933649424
Energy: 11.798630057979029
Energy: 4.21617782864519
Energy: 11.990729918147952
Energy: 0.48682109701866194
Energy: 0.471422752567268
Energy: 11.818153189062464
Energy: 0.4871370541194666
Energy: 4.234145502293122
Energy: 8.074969479062212
Energy: 8.107009129562892
Energy: 8.026846209284006
Energy: 8.073061958434504
Energy: 8.105747705395645
Energy: 0.4584583471185401
Energy: 0.5238858016220482
Energy: 8.101107297034945
Energy: 8.025986026202165
Energy: 0.4900819220486364
Energy: 8.105606850788504
Energy: 8.065426696529435
Energy: 0.4887497074144152
Energy: 0.45739748480449255
Energy: 0.45679048271231487
Energy: 4.241679420462446
Energy: 0.5188483108600702
Energy: 4.242078450599427
Energy: 8.677139418669034
Energy: 0.45866783141426376
Energy: 0.4598504836368865
Energy: 4.248070235772503
Energy: 8.036131936409618
Energy: 0.45841444740045095
Energy: 0.4558593224637412
Energy: 11.801458140663525
Energy: 11.798782675058744
Energy: 0.45674387660132953
Energy: 11.711683195674114
Energy: 0.4560415001504477
Energy: 4.308788973550666
Energy: 8.058301059999854
Energy: 8.005726233477244
Energy: 4.309024160545363
Energy: 8.059959147088858
Energy: 8.003467427734599
Energy: 4.394495190929099
Energy: 8.028600520269412
Energy: 8.028482675795672
Energy: 4.275047044576114
Energy: 8.018209849230304
Energy: 8.043440556185153
Energy: 8.113030791330006
Energy: 11.871509479280823
Energy: 8.021289103692023
Energy: 8.111828759848567
Energy: 11.874008766981685
Energy: 8.020602838445374

minimum gb energy = 0.4558593224637412 eV
minimum distance =  0.00518255827820338 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.6464972780309424
Energy: 6.8390969544446785
Energy: 0.4955767869984897
Energy: 0.4958330610507463
Energy: 6.840251732049168
Energy: 0.4955960526714861
Energy: 6.799190941839148
Energy: 6.798116351381401
Energy: 6.79737727647851
Energy: 6.737501947058896
Energy: 6.805726460983594
Energy: 6.797312912158248
Energy: 0.5250351467294186
Energy: 0.4482557133927308
Energy: 6.772175962660505
Energy: 6.722336066323577
Energy: 0.4492057942919444
Energy: 6.7720981659947626
Energy: 0.5187146405464002
Energy: 6.770383903020314
Energy: 6.769732864049409
Energy: 0.4879854991512787
Energy: 6.769136326694977
Energy: 6.722650151013827
Energy: 0.5185812991413281
Energy: 13.079382299953743
Energy: 13.122542599019129
Energy: 0.49027708997636554
Energy: 13.078073847607676
Energy: 13.122025513356675
Energy: 0.5222066515059453
Energy: 0.4699141544553876
Energy: 13.12089351412078
Energy: 13.120242844781094
Energy: 0.46971875994900997
Energy: 13.119743691492868
Energy: 0.5781497014196189
Energy: 6.797252981208324
Energy: 6.797365010870071
Energy: 0.4487125308575158
Energy: 6.797727837600917
Energy: 6.797348211678131

minimum gb energy = 0.4482557133927308 eV
minimum distance =  0.00362087936580051 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 4.113346261599756
Energy: 8.365888768422439
Energy: 3.96882853653915
Energy: 3.960313093894468
Energy: 8.36304624923887
Energy: 7.359504853702015
Energy: 8.438787915879516
Energy: 4.844704957549187
Energy: 4.8593439569619985
Energy: 8.302296274389269
Energy: 1.386062144148447
Energy: 8.286283742863546
Energy: 0.5314260233618612
Energy: 3.934714978567655
Energy: 3.9342506844432217
Energy: 1.3804689692628174
Energy: 3.9659702818007943
Energy: 4.8376734023230945
Energy: 0.5329227191120584
Energy: 4.788820347107275
Energy: 4.7989080202366665
Energy: 1.3854094131962638
Energy: 3.988127325402856
Energy: 4.798601252052069
Energy: 1.410683272512782
Energy: 3.0927384570270955
Energy: 3.0915557136965575
Energy: 1.4116035500533353
Energy: 3.1228226248645297
Energy: 3.100880978605313
Energy: 1.394750887612378
Energy: 3.1395173797658993
Energy: 3.092173746583164
Energy: 1.3951784002061336
Energy: 3.121815691285974
Energy: 3.9410503844529203
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Energy: 3.1164505381087313
Energy: 6.522922563238573
Energy: 6.5549395941833195
Energy: 3.1113679371682252
Energy: 6.522778764003881
Energy: 4.017711290215451
Energy: 6.514307999502245
Energy: 3.988328560186173
Energy: 3.9669171724364554
Energy: 6.513397849831574
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Energy: 6.632407146594436
Energy: 7.3920853957839565
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Energy: 4.815055884651489
Energy: 6.523928733343353
Energy: 2.463882987128206
Energy: 3.9393665995164544
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Energy: 0.5752879979321718
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Energy: 1.4369343852792484
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Energy: 8.230700604436064
Energy: 4.878201444462033
Energy: 1.3974867258391606
Energy: 1.3819218951421754
Energy: 4.879532012589168
Energy: 0.5305754559586153
Energy: 1.3822015263451444
Energy: 4.022883974476364
Energy: 1.3852063692613503
Energy: 1.3861214763116279
Energy: 4.023848832720092
Energy: 1.385068412432874
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Energy: 3.1136917639205417
Energy: 0.5359711124217337
Energy: 3.089333445481836
Energy: 3.148018172018996
Energy: 0.5332114198645558
Energy: 3.0892624206578905
Energy: 4.055792622961079
Energy: 3.087071069415591
Energy: 3.084509433187491
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Energy: 3.0833519436401695
Energy: 6.556661082976851
Energy: 3.1827561331494865
Energy: 6.56211966646453
Energy: 6.548271704528149
Energy: 3.181613447260314
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Energy: 6.549499724374842
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Energy: 3.9439461159480973
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Energy: 3.944918335802209
Energy: 7.392701954818404
Energy: 0.58117213212271
Energy: 7.365465977707531
Energy: 10.005432536152972
Energy: 3.155601587957766
Energy: 7.379652784667575
Energy: 6.5499327261218445
Energy: 7.490193038372756
Energy: 4.829195308851691
Energy: 4.805831203981354
Energy: 7.466136696235657
Energy: 1.4045415067244673
Energy: 3.938311765739667
Energy: 3.9721804814969905
Energy: 4.809259280585281
Energy: 4.8051662658642345
Energy: 7.431089655374249
Energy: 4.811388377294446
Energy: 7.3448809723587
Energy: 4.024059696730463
Energy: 1.3926036251862774
Energy: 1.4137836378351754
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Energy: 0.5311870426166913
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Energy: 1.4094074580157596
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Energy: 1.4784827992677367
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Energy: 3.0919862611817543
Energy: 0.5704750138786632
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Energy: 3.0918896262807882
Energy: 0.5705705462599027
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Energy: 3.9740440702647453
Energy: 3.102874023347142
Energy: 3.9412274213928318
Energy: 6.4924074755893795
Energy: 4.076101680982899
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Energy: 6.4921069237077145
Energy: 3.9766788508728896
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Energy: 3.0917173145410617
Energy: 4.025960869256845
Energy: 7.401849353112694
Energy: 7.406998931967084
Energy: 7.347522672692965
Energy: 7.453039312605585
Energy: 7.360319205987664
Energy: 7.499970593714718
Energy: 7.401491972610554
Energy: 7.395347646365394
Energy: 7.440094935710465
Energy: 3.9852734723244243
Energy: 3.9453792564066714
Energy: 0.5313353153160342
Energy: 4.818131779601096
Energy: 4.7914585234358
Energy: 0.5375558710915667
Energy: 4.828761729929935
Energy: 1.38072592219873
Energy: 0.5402277605744342
Energy: 3.9351028969294797
Energy: 3.934748028807716
Energy: 1.3810772008660663
Energy: 3.94106735455329
Energy: 4.790149455482453
Energy: 0.5396158834011697
Energy: 3.9373947135017677
Energy: 1.380408718988779
Energy: 0.5412123910301213
Energy: 3.9701152694391415
Energy: 1.3807269612466828
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Energy: 3.0977337198531045
Energy: 1.3871309844975557
Energy: 3.2099344552132356
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Energy: 0.5549092998086621
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Energy: 3.0981463726327743
Energy: 0.556838415665225
Energy: 4.0097878992791065
Energy: 6.53625423179059
Energy: 6.533241694670924
Energy: 3.9418538187004946
Energy: 6.538895182885678
Energy: 7.34167138489019
Energy: 7.48631643496549
Energy: 6.537759188290697
Energy: 6.541829365708917
Energy: 7.46384937200682
Energy: 3.1233790011493836
Energy: 6.532556870717996
Energy: 0.5496647097720705
Energy: 7.350121116403655
Energy: 7.354739521940225
Energy: 1.4212666262157865
Energy: 7.415545049739197
Energy: 8.233486496857665
Energy: 2.4496787120494554
Energy: 3.9368464199163413
Energy: 3.9386558760332835
Energy: 4.838293139804152
Energy: 3.9377482998945226
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Energy: 1.450558494214719
Energy: 4.82799748471329
Energy: 4.808819003214746
Energy: 1.4496987084862563
Energy: 4.823562475079298
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Energy: 4.02863817949
Energy: 1.385658618227614
Energy: 1.3856710478409662
Energy: 4.029288045273993
Energy: 1.3865270868537698
Energy: 4.875373864766304
Energy: 4.009617272568085
Energy: 0.5374415859295663
Energy: 1.3837100439205656
Energy: 1.4324781270356337
Energy: 0.5340214996636415
Energy: 1.384028254710103
Energy: 4.05109352777075
Energy: 3.090218504634333
Energy: 3.082896103194879
Energy: 4.052213922211327
Energy: 3.0904263975222923
Energy: 6.515175006521259
Energy: 6.525247314041051
Energy: 3.0968496967237167
Energy: 3.090056269964447
Energy: 6.526278146372486
Energy: 0.5565239415813746
Energy: 3.08984782451394
Energy: 0.6180106653339447
Energy: 7.3839532482724
Energy: 7.3836153150868915
Energy: 6.597766075249658
Energy: 3.943601823572114
Energy: 10.005085300585801
Energy: 6.247009585399612
Energy: 3.944449272823336
Energy: 3.944480567437768
Energy: 6.615700180925353
Energy: 3.944485026996523
Energy: 7.395208944514838
Energy: 4.900876966844353
Energy: 4.008294496259857
Energy: 4.008273148550709
Energy: 4.886560179657304
Energy: 6.562567028032224
Energy: 4.791053902044976
Energy: 4.101264860231589
Energy: 4.790973609585327
Energy: 3.958605235804905
Energy: 4.066409379436958
Energy: 4.789501237601983
Energy: 7.395159124990761
Energy: 4.862571459546305
Energy: 1.4050884660870004
Energy: 1.4095018987314756
Energy: 4.837253202093792
Energy: 0.5598498179740864
Energy: 4.795269937857333
Energy: 3.165131862773758
Energy: 1.4150763201991854
Energy: 1.4029572727408324
Energy: 3.1658123560312696
Energy: 1.4145608549434787
Energy: 3.9898636224345716
Energy: 3.1472954172728405
Energy: 1.411110681874428
Energy: 1.4087411535973642
Energy: 0.5596323140837436
Energy: 1.4137134208564301
Energy: 1.4085417762874761
Energy: 0.5548345315547208
Energy: 3.933245400193531
Energy: 6.4998716642259815
Energy: 3.095330406018057
Energy: 3.9363714056605184
Energy: 6.499591909512828
Energy: 0.5312972124281096
Energy: 3.9337289445055323
Energy: 3.93368457162433
Energy: 3.1251189599358282
Energy: 3.9352192443271194
Energy: 6.491004397784826
Energy: 7.542528117472351
Energy: 4.846743376384908
Energy: 8.291860707338506
Energy: 7.4263930916270855
Energy: 4.8728712320472205
Energy: 8.286407096857122

minimum gb energy = 0.5305754559586153 eV
minimum distance =  0.0027795124667555 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 9.993011010378698
Energy: 4.092587991307615
Energy: 9.873770116608066
Energy: 9.993250841885317
Energy: 4.185557156288262
Energy: 9.856571874672701
Energy: 4.09992786990135
Energy: 4.072790169411158
Energy: 4.090591193271859
Energy: 4.113147409919395
Energy: 4.0732413703509405
Energy: 4.090700219942981
Energy: 0.5449565994342477
Energy: 0.5353511936531775
Energy: 0.5160183258557605
Energy: 4.076054894464168
Energy: 0.5169346279702628
Energy: 4.0346320718782485
Energy: 0.5427236593294474
Energy: 0.5167537501969351
Energy: 4.05442784837634
Energy: 4.0357109343222675
Energy: 0.5158004992068363
Energy: 4.0353760700154
Energy: 4.085441002471937
Energy: 8.735922762129363
Energy: 8.722700052410975
Energy: 4.086652444554016
Energy: 8.814171274044265
Energy: 8.726280503806384
Energy: 4.093184985287416
Energy: 8.70340335157962
Energy: 12.252521091019972
Energy: 4.093109841855549
Energy: 8.812756213602807
Energy: 12.251727891356687
Energy: 8.925749654405235
Energy: 8.769815511722527
Energy: 8.769178028128161
Energy: 8.777157767988214
Energy: 0.5244282456881432
Energy: 8.76920353995637
Energy: 0.6398856741245159
Energy: 8.78121399417855
Energy: 8.754833273172713
Energy: 0.5167360942821309
Energy: 8.781220059024182
Energy: 0.5455310483194186
Energy: 8.925479672067368
Energy: 2.9110758456903176
Energy: 8.771172431476543
Energy: 8.777422832353842
Energy: 2.905534972077588
Energy: 8.77332132680253
Energy: 5.749790231737921
Energy: 9.832778761841636
Energy: 9.829475900843173
Energy: 2.9862523181473852
Energy: 9.971242733683281
Energy: 9.829575072197033
Energy: 0.5600551178943614
Energy: 9.844886244753
Energy: 9.844736731899939
Energy: 2.878170491323766
Energy: 9.887434160456655
Energy: 2.876799771504541
Energy: 0.5400604488955609
Energy: 4.0187439441670625
Energy: 4.012370029822985
Energy: 0.5160821275049756
Energy: 4.027013500960636
Energy: 4.031915180903837
Energy: 0.5404506472585082
Energy: 4.024296775245322
Energy: 4.024796196034542
Energy: 0.5162651690257177
Energy: 4.024280636302299
Energy: 0.5360305684236685
Energy: 12.273971267713783
Energy: 0.5213080441015884
Energy: 0.5208610798806884
Energy: 12.213410166626689
Energy: 0.5213610301655103
Energy: 0.5213814968749791
Energy: 8.810927203874744
Energy: 4.088048661522987
Energy: 12.223218154831185
Energy: 8.811923074602214
Energy: 4.0901703039129895
Energy: 12.233071074389986
Energy: 0.5523841435906848
Energy: 8.743877708845712
Energy: 8.764842752453399
Energy: 0.5608982567874574
Energy: 8.786525259319014
Energy: 8.76509505742615
Energy: 18.44001000008358
Energy: 0.5180840240173916
Energy: 0.5381754597760671
Energy: 8.766381157835607
Energy: 0.5166431355806674
Energy: 0.5385225376108578
Energy: 2.9453905659990687
Energy: 8.787678315781575
Energy: 8.784797133735209
Energy: 2.915060244036914
Energy: 8.78654504572933
Energy: 8.765259342167226
Energy: 9.965959903177556
Energy: 2.8746594205795817
Energy: 0.5036123372730001
Energy: 9.966322880119085
Energy: 2.8768273911649502
Energy: 9.845114156501557
Energy: 9.965826695374592
Energy: 2.875045377423133
Energy: 9.844854828267934
Energy: 9.965999204823003
Energy: 2.89375812568413
Energy: 9.844837119352478
Energy: 2.9448573993344906
Energy: 4.019903649989696
Energy: 4.029338192585857
Energy: 2.8937251266009905
Energy: 4.0346412636025715
Energy: 4.045741268885709
Energy: 8.163875309006382
Energy: 0.6235783814069529
Energy: 0.578220004173506
Energy: 4.040160764107543
Energy: 0.5348201758852092
Energy: 0.577535626159007
Energy: 0.547481763906204
Energy: 4.0444793672173285
Energy: 4.02412590196431
Energy: 0.5564783879009917
Energy: 4.036288143013228
Energy: 4.024202158471548
Energy: 4.08650975703088
Energy: 8.72253715055619
Energy: 12.184510078808062
Energy: 4.087327653926288
Energy: 8.814002370078095
Energy: 12.17459753228649
Energy: 4.085248819991987
Energy: 0.5398915624746249
Energy: 0.5414727145620898
Energy: 4.073622407968275
Energy: 8.811659176685348
Energy: 4.033505411997047
Energy: 0.6489293368371193
Energy: 8.766860110971056
Energy: 8.766683315138339
Energy: 0.5396962197749076
Energy: 8.766970323061019
Energy: 8.76651430444643
Energy: 0.5478059082169917
Energy: 8.766522765007577
Energy: 8.766329462187047
Energy: 0.5177389460156167
Energy: 8.768142939046854
Energy: 8.765786676266432
Energy: 0.5634813058974133
Energy: 9.829195516605031
Energy: 2.876920622025034
Energy: 2.877772652556886
Energy: 9.891714596626402
Energy: 2.8768586105258014
Energy: 5.685103090280255
Energy: 9.968310299189719
Energy: 9.845058838760526
Energy: 2.9231678679451973
Energy: 9.968870653019371
Energy: 9.830343446242207
Energy: 4.072745610876782
Energy: 2.897281842797366
Energy: 2.877534871900853
Energy: 4.05763537016771
Energy: 2.9054303165613597
Energy: 4.05555504742992
Energy: 0.5407428854937715
Energy: 4.086835807368218
Energy: 4.017720153708316
Energy: 0.5180697050218811
Energy: 4.031570273421539
Energy: 0.5165460803376251
Energy: 4.074427343355243
Energy: 4.032467196874355
Energy: 4.032621481044674
Energy: 4.044238985032286
Energy: 4.032396486016469
Energy: 4.032122241470552
Energy: 8.819734433139773
Energy: 4.047487316793624
Energy: 12.193606497616985
Energy: 8.818755568202251
Energy: 4.081524207834455
Energy: 12.196582303875081
Energy: 8.820810916237631
Energy: 4.048423261815945
Energy: 4.036546111824996
Energy: 8.81906269857466
Energy: 4.079716971721936
Energy: 12.193914614513155
Energy: 0.5487373894491689
Energy: 8.773576538908936
Energy: 8.772643589936376
Energy: 8.774575984447635
Energy: 0.5388471376396058
Energy: 8.772688431117244
Energy: 18.470981455803432
Energy: 0.517394972057867
Energy: 0.5179361612451803
Energy: 8.787701457681669
Energy: 0.5371478093809078
Energy: 8.792120965425479
Energy: 4.089736287481101
Energy: 8.833345656304157
Energy: 8.818417533042958
Energy: 4.1005110452122295
Energy: 8.825959822036792
Energy: 4.091399165509535
Energy: 9.993344797223086
Energy: 4.0832871570207
Energy: 9.87399227090681
Energy: 9.993628642379306
Energy: 4.083572340532951
Energy: 9.858079414391412

minimum gb energy = 0.5036123372730001 eV
minimum distance =  0.000179617381971065 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 6.478968110956868
Energy: 10.68734864971128
Energy: 6.313293333042961
Energy: 6.315716760875814
Energy: 7.829734792222698
Energy: 3.4140560612084894
Energy: 10.656654928555666
Energy: 4.883430265941617
Energy: 7.795062974491611
Energy: 10.64179562914934
Energy: 2.005452964259116
Energy: 7.805645483934641
Energy: 0.5411026243739953
Energy: 6.234979068155371
Energy: 6.2485207736837864
Energy: 1.97938537384067
Energy: 6.302027405757954
Energy: 7.68246161079944
Energy: 0.532416013007978
Energy: 6.248220099209375
Energy: 7.6824297176874605
Energy: 1.9558757796173665
Energy: 6.299620877544308
Energy: 4.815388178892456
Energy: 1.9670006442973533
Energy: 3.4301411512643014
Energy: 3.402683856362444
Energy: 1.9671968005288856
Energy: 3.445122229346614
Energy: 1.9725082480611982
Energy: 4.876584349251238
Energy: 4.885598233084435
Energy: 4.857142896334751
Energy: 4.876302131912106
Energy: 3.4397791870585706
Energy: 1.9611354692161067
Energy: 6.3785781296699495
Energy: 3.3845278565620145
Energy: 3.3845437149910302
Energy: 6.289570277834265
Energy: 0.531932312405878
Energy: 3.384670853447398
Energy: 6.373517797328239
Energy: 6.25087984890772
Energy: 6.2511204103251305
Energy: 6.374315465567276
Energy: 3.3863011801330667
Energy: 6.285225583658995
Energy: 3.492576299194576
Energy: 6.3012452274998685
Energy: 6.301229952530555
Energy: 3.4612002737998537
Energy: 6.299808164833297
Energy: 3.385291410162856
Energy: 13.148319213537407
Energy: 6.271031189439527
Energy: 6.271190232496551
Energy: 6.365429711047391
Energy: 6.262633721933923
Energy: 6.2711829309347396
Energy: 0.5187895013782067
Energy: 9.167758394835984
Energy: 6.317342043468984
Energy: 6.339909795495375
Energy: 6.255978588351639
Energy: 9.225954581920536
Energy: 3.490172864246952
Energy: 4.8408809830666915
Energy: 7.697885363738393
Energy: 6.2978097318018404
Energy: 4.8414482074619105
Energy: 7.69756553498088
Energy: 6.382748628114381
Energy: 7.698621383701599
Energy: 6.252433441757385
Energy: 6.382931833219298
Energy: 4.843677928063991
Energy: 6.2526353065196
Energy: 4.936381223519974
Energy: 2.004120848280155
Energy: 1.9868578094447524
Energy: 4.921864840661906
Energy: 1.9869800699143856
Energy: 2.0096313105220682
Energy: 3.4674144312041695
Energy: 4.84953252266538
Energy: 4.820149894094799
Energy: 4.89017316645786
Energy: 3.4887500086802534
Energy: 4.838473529665199
Energy: 0.5183446172051343
Energy: 4.814205794002635
Energy: 1.950234911058647
Energy: 0.5198228130179858
Energy: 4.880153525804914
Energy: 1.9499750760819727
Energy: 1.9954110792944049
Energy: 6.265502516925843
Energy: 6.285573703502788
Energy: 3.3794705227709017
Energy: 3.416321220822871
Energy: 6.2850992234777765
Energy: 0.5194752050747389
Energy: 3.375630818872044
Energy: 3.379710787826466
Energy: 0.5367254418669039
Energy: 3.4083149419833316
Energy: 3.3796515100627955
Energy: 3.498439858361624
Energy: 6.31205715632341
Energy: 9.169964206163646
Energy: 3.422683719344153
Energy: 6.312277425809341
Energy: 6.2693657092480235
Energy: 3.5354016790352776
Energy: 6.309003110692258
Energy: 9.169242811078002
Energy: 3.420611529131951
Energy: 6.3089174162396615
Energy: 6.269436268390679
Energy: 3.4755292986647808
Energy: 7.7376465790652915
Energy: 7.738184087247777
Energy: 4.885567198881774
Energy: 6.284058492987538
Energy: 7.73844718159597
Energy: 9.960453286174547
Energy: 6.276210338076131
Energy: 6.272433811303482
Energy: 7.748334270591149
Energy: 3.395547807647772
Energy: 6.291618121556812
Energy: 2.037507236275467
Energy: 7.737707640109294
Energy: 7.737785352300606
Energy: 1.9673792444347968
Energy: 7.7379976836491124
Energy: 4.876713315613633
Energy: 6.363671538025667
Energy: 4.804135414341758
Energy: 4.815605109088465
Energy: 6.3647900636479235
Energy: 1.9478511946698285
Energy: 4.829551854896048
Energy: 4.917427296112107
Energy: 1.9475139109270667
Energy: 4.815280435290344
Energy: 4.834865597298753
Energy: 1.94749142785089
Energy: 4.815179962456933
Energy: 6.363991662690064
Energy: 4.868268303454096
Energy: 3.3970072590911795
Energy: 3.432279895628539
Energy: 1.9924796760514327
Energy: 3.4216038878418997
Energy: 3.423343835434301
Energy: 1.986369186350355
Energy: 4.819323778022607
Energy: 3.4233914171432906
Energy: 1.9745338171311075
Energy: 4.819300326498676
Energy: 0.575279508569368
Energy: 6.2687116336765225
Energy: 6.268630288592528
Energy: 0.5321300649398227
Energy: 9.127883158310098
Energy: 6.269018574525898
Energy: 6.816583038482081
Energy: 6.239844442171716
Energy: 6.251224646995784
Energy: 3.415842082483429
Energy: 3.3857932176659573
Energy: 6.288890325251411
Energy: 7.8122333429019815
Energy: 6.258200424329717
Energy: 6.28165374171533
Energy: 7.737136441289932
Energy: 6.285216366007769
Energy: 9.122073802065655
Energy: 6.3718061608682515
Energy: 10.669321845370689
Energy: 6.270519980939485
Energy: 6.257609485857352
Energy: 7.810203705930304
Energy: 6.2661572987042495

minimum gb energy = 0.5183446172051343 eV
minimum distance =  0.000461480144450815 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.639899030852654
Energy: 11.703506777610185
Energy: 7.922803198313794
Energy: 0.5188150366890134
Energy: 11.70491466942123
Energy: 7.921399289001684
Energy: 11.878411445460046
Energy: 4.305113801727186
Energy: 4.324261318385494
Energy: 11.675609239248992
Energy: 4.264969900238548
Energy: 11.676117186283314
Energy: 8.621829310209266
Energy: 7.933535200794189
Energy: 0.49049221434999
Energy: 4.202381744939463
Energy: 8.043523518381495
Energy: 0.49101732553724453
Energy: 0.531316148235918
Energy: 0.4907215149132764
Energy: 0.49020924511777264
Energy: 4.204599249988816
Energy: 0.49315199088444606
Energy: 4.20164703085767
Energy: 4.277962700713711
Energy: 0.5137109363968516
Energy: 4.253882154830409
Energy: 4.278226659997659
Energy: 8.086753123797465
Energy: 4.217211074593653
Energy: 0.493716416046566
Energy: 4.24963399660932
Energy: 4.252847826035608
Energy: 4.287385003871622
Energy: 4.275389259794159
Energy: 4.232240206386203
Energy: 11.852626187060428
Energy: 0.530183920023466
Energy: 7.935815269839251
Energy: 11.63590507899747
Energy: 0.5313863787859024
Energy: 7.937147387905179
Energy: 0.5277245086896323
Energy: 11.688803732747614
Energy: 7.938910742516944
Energy: 0.5098755462567264
Energy: 11.68808013167227
Energy: 7.921108317889827
Energy: 8.084022285437676
Energy: 7.987273571440649
Energy: 7.987931413293618
Energy: 7.973685863549366
Energy: 8.004252115152621
Energy: 7.9875281905705116
Energy: 16.758244231468506
Energy: 7.922628841023252
Energy: 0.5282404634422373
Energy: 7.980374091318581
Energy: 7.960754857336344
Energy: 0.5291064591995795
Energy: 0.5762527079134118
Energy: 0.5098381433847825
Energy: 7.982615555689515
Energy: 7.989364711926854
Energy: 0.5281829013334258
Energy: 7.982362145687125
Energy: 8.112896920151725
Energy: 11.676525219620272
Energy: 11.676391690940706
Energy: 7.907697255769344
Energy: 4.308599697913828
Energy: 7.907062141158315
Energy: 8.105995766954793
Energy: 11.677361260275736
Energy: 7.907866125995975
Energy: 7.908666429151961
Energy: 11.678282586211042
Energy: 7.90772622130236
Energy: 4.291857275459468
Energy: 4.263953837928
Energy: 4.204620154126384
Energy: 4.292011376114629
Energy: 4.263777374548231
Energy: 4.202302349102757
Energy: 8.60552733022915
Energy: 8.040836829228235
Energy: 0.4958798814508708
Energy: 4.202440670467258
Energy: 8.039985644963425
Energy: 0.6269880807941889
Energy: 0.529458880325389
Energy: 4.201535693020859
Energy: 4.201534012596364
Energy: 0.5308053973264691
Energy: 4.201296687899423
Energy: 4.201365824743014
Energy: 4.278863445295473
Energy: 11.70893415391241
Energy: 4.249573380014301
Energy: 4.2792394732838
Energy: 8.082294745038011
Energy: 4.216758383294175
Energy: 4.279220952376623
Energy: 4.251269520952501
Energy: 4.248589254236986
Energy: 4.279533316497855
Energy: 0.5318020873358476
Energy: 4.2322983560553356
Energy: 8.078814262703794
Energy: 7.936479704105601
Energy: 7.936193240465955
Energy: 7.963573049028416
Energy: 0.530925910231748
Energy: 7.958301629281824
Energy: 8.077562231621274
Energy: 11.73141515604022
Energy: 7.936637597076219
Energy: 7.920122135526168
Energy: 4.346692020446795
Energy: 7.959030301695401
Energy: 0.5384661462483928
Energy: 7.985418416373574
Energy: 7.98409093403951
Energy: 0.538394337168333
Energy: 7.980717071199351
Energy: 7.984517340188542
Energy: 16.75067334784517
Energy: 7.923384123026377
Energy: 0.5310700132983652
Energy: 7.98425410727831
Energy: 7.960801415003742
Energy: 0.5986641261204889
Energy: 4.292194388249465
Energy: 7.9868417879908495
Energy: 7.986696300765073
Energy: 4.29225968662912
Energy: 8.018956499464343
Energy: 7.986776040990482
Energy: 8.105643948297505
Energy: 11.67818180121879
Energy: 7.90805918210611
Energy: 7.9092841545751815
Energy: 11.695318761216404
Energy: 7.907844086989152

minimum gb energy = 0.49020924511777264 eV
minimum distance =  0.00604233973738999 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 5.902835751727455
Energy: 8.347201073192009
Energy: 5.768501304702225
Energy: 5.712698090932622
Energy: 8.348195955677385
Energy: 5.713503413251741
Energy: 8.450867488606491
Energy: 3.21864658081238
Energy: 8.378346539259004
Energy: 8.441465142523088
Energy: 3.2183298908673854
Energy: 8.378558275523556
Energy: 6.252206644884483
Energy: 5.690165976844571
Energy: 5.703503681177502
Energy: 3.139455567758091
Energy: 5.689852582287646
Energy: 5.703141541156125
Energy: 6.254048660967961
Energy: 5.7036988374975195
Energy: 5.703057203718306
Energy: 3.138033251914894
Energy: 5.689542215983826
Energy: 8.35391009641377
Energy: 3.222440728718586
Energy: 3.0935141149220966
Energy: 3.0927801894041407
Energy: 3.134007994256083
Energy: 0.4983671893573799
Energy: 3.0844285268462213
Energy: 5.839825320481734
Energy: 3.0929713494748152
Energy: 3.109219179255066
Energy: 5.77679596818113
Energy: 3.0928754055102603
Energy: 5.772223696422284
Energy: 3.1736070309340496
Energy: 0.49710417859340983
Energy: 0.49855974911225903
Energy: 3.130509466157912
Energy: 0.5013331939992586
Energy: 3.0923039723474934
Energy: 5.849849044882997
Energy: 3.131666322507678
Energy: 3.1143142586068637
Energy: 5.818638273340954
Energy: 3.131359629388613
Energy: 8.426498359341645
Energy: 0.49926174888708125
Energy: 3.1522539693943745
Energy: 3.1335498935242616
Energy: 0.500588109454648
Energy: 3.150727733705082
Energy: 3.1332913379556344
Energy: 3.197841372413346
Energy: 5.778727749608233
Energy: 5.6953652777781105
Energy: 3.1983335812310156
Energy: 5.780865944319837
Energy: 5.743685223430515
Energy: 3.2695576199068697
Energy: 5.748290538826655
Energy: 5.745476887492779
Energy: 3.1578582461291997
Energy: 5.748734583475293
Energy: 8.383569389766231
Energy: 5.881072743782404
Energy: 5.729786663237813
Energy: 5.729768377119358
Energy: 5.727633994431258
Energy: 5.731978488558011
Energy: 5.7297120798180305
Energy: 5.873851347992891
Energy: 5.7301065044513075
Energy: 5.730154215917869
Energy: 5.723895285143252
Energy: 5.730658817916359
Energy: 11.00539373388078
Energy: 5.847646960201795
Energy: 11.025062244956635
Energy: 5.833348460598414
Energy: 5.7497036585589285
Energy: 10.936404679367392
Energy: 5.833645259594543
Energy: 12.074829999022572
Energy: 5.744404438458187
Energy: 5.744300136092814
Energy: 5.811794166672832
Energy: 5.72222317638398
Energy: 5.744432311540857
Energy: 3.2615707977349526
Energy: 10.95661865486162
Energy: 10.91362918646893
Energy: 3.221433863035265
Energy: 10.937402722874511
Energy: 5.83271042443494
Energy: 5.908058429819988
Energy: 8.334956177961844
Energy: 5.755684556566568
Energy: 5.69352079832822
Energy: 8.333343060616222
Energy: 5.755629945463744

minimum gb energy = 0.49710417859340983 eV
minimum distance =  0.00948478337774251 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 4.77001085028736
Energy: 10.684124524612606
Energy: 4.526010021650549
Energy: 4.514722209421177
Energy: 6.6554289095519
Energy: 4.526374626031627
Energy: 10.754229558579414
Energy: 6.621165156106907
Energy: 6.6209098735704055
Energy: 10.581865581488836
Energy: 2.6094729742261444
Energy: 6.622963047462379
Energy: 4.923377230851784
Energy: 4.465370556515107
Energy: 8.569879717988929
Energy: 6.565211990828986
Energy: 4.469122892028805
Energy: 4.50893461454582
Energy: 4.964246519611939
Energy: 8.569726256231142
Energy: 8.571172229992136
Energy: 2.5565013522613746
Energy: 8.57040311635768
Energy: 4.508440634094184
Energy: 6.591639886097447
Energy: 2.494292408358569
Energy: 2.490583808759624
Energy: 6.573571586546816
Energy: 2.491490747596498
Energy: 6.524222537968712
Energy: 4.683278704876209
Energy: 6.526561655218597
Energy: 4.48011320183304
Energy: 4.555624855229313
Energy: 2.4906472784970575
Energy: 4.554525238827322
Energy: 6.59161464088347
Energy: 0.5035105855772971
Energy: 2.489147924985775
Energy: 6.524992529857976
Energy: 2.533347289646319
Energy: 2.4898690640956205
Energy: 0.4879179137705829
Energy: 4.540128223868193
Energy: 6.562862973378091
Energy: 2.4985791303910094
Energy: 4.541054280982311
Energy: 6.5632301973896965
Energy: 0.4613661269869831
Energy: 6.560874287319921
Energy: 2.4664163124739447
Energy: 0.4623889775336783
Energy: 6.539822545999776
Energy: 2.4658188512078922
Energy: 2.5546388634558244
Energy: 4.5511965467818785
Energy: 6.586845888048694
Energy: 2.5076283253619946
Energy: 4.551634838652182
Energy: 6.588821483331454
Energy: 2.5599926253205227
Energy: 2.4779948332510946
Energy: 2.5283775596028906
Energy: 2.500490769661051
Energy: 0.46090805125882306
Energy: 2.514243849572376
Energy: 4.601199239208947
Energy: 0.4683173190574682
Energy: 4.4815739917754716
Energy: 4.499957745173486
Energy: 0.46483959229007193
Energy: 4.4826095101536305
Energy: 4.660926667874538
Energy: 6.517866142470014
Energy: 6.518444642895567
Energy: 4.547850692313751
Energy: 2.5194251240260255
Energy: 6.519952359054801
Energy: 0.49697321099879943
Energy: 4.493639636253315
Energy: 4.493531257058699
Energy: 0.4980363927668357
Energy: 4.494678082249601
Energy: 4.4938289427551075
Energy: 0.5160829854151058
Energy: 4.549498571773761
Energy: 4.553221713139086
Energy: 4.494543404898803
Energy: 4.5498783354281604
Energy: 8.568931400690627
Energy: 0.6271293303330912
Energy: 4.494940274539911
Energy: 4.494281434496826
Energy: 0.49871854793034587
Energy: 4.48056067730827
Energy: 4.493826930320307
Energy: 4.623007238428018
Energy: 8.59096727971193
Energy: 8.591425645701738
Energy: 4.4810727628718725
Energy: 4.549471328504464
Energy: 4.494109829418149
Energy: 4.623809095892625
Energy: 8.597202971901593
Energy: 8.592421794958572
Energy: 4.481464292910306
Energy: 4.549967765304052
Energy: 4.495304698857664
Energy: 0.6445209287644383
Energy: 8.64478479044944
Energy: 8.64333618701145
Energy: 0.5773875714327632
Energy: 4.567468865150716
Energy: 8.638187819557745
Energy: 9.48891080102257
Energy: 4.482651760113052
Energy: 4.486655071501521
Energy: 8.56263145398521
Energy: 4.483322753323217
Energy: 8.617332309386777
Energy: 6.698198473594906
Energy: 8.542039311137387
Energy: 8.638896484793023
Energy: 6.649067029016012
Energy: 8.678795717946576
Energy: 8.626611840087767
Energy: 4.557634997104477
Energy: 10.625118582906913
Energy: 8.613921515542966
Energy: 4.498450958003524
Energy: 6.631905859166521
Energy: 4.509744608749936
Energy: 4.561029496424627
Energy: 6.632808731737327
Energy: 10.563560882178813
Energy: 4.497875366777239
Energy: 6.629487234704305
Energy: 8.620558658257375
Energy: 0.6611052895163563
Energy: 4.507956787364579
Energy: 6.560826119210518
Energy: 2.554809267752637
Energy: 8.570150951600084
Energy: 6.560788478791171
Energy: 4.969127189519304
Energy: 4.555454849071018
Energy: 8.572714054517121
Energy: 6.563282608275606
Energy: 4.555665005611694
Energy: 8.570367863045945
Energy: 2.554377130224189
Energy: 6.567969168168175
Energy: 6.567116382496129
Energy: 2.5544446771786116
Energy: 6.561175797226151
Energy: 2.4993154108709597
Energy: 4.683793274180031
Energy: 6.493875787705914
Energy: 6.527381178782008
Energy: 4.5542943476518625
Energy: 2.498697944728597
Energy: 4.466497914622575
Energy: 4.560586845666992
Energy: 2.49501369690613
Energy: 6.524263209259037
Energy: 4.464274621442849
Energy: 2.4920286813441543
Energy: 6.52414446701818
Energy: 0.5253828880700393
Energy: 6.562701977687455
Energy: 2.489164669487453
Energy: 0.46513570388310177
Energy: 6.539852067819386
Energy: 2.4907744549976787
Energy: 0.4703833401981101
Energy: 4.5399646476123925
Energy: 6.5623325130081795
Energy: 2.4658437457048086
Energy: 4.541177888458198
Energy: 6.526518115005948
Energy: 2.5279055769040437
Energy: 4.551980733142258
Energy: 4.549693623344267
Energy: 2.527811956987842
Energy: 4.54976038735886
Energy: 0.4817922108817333
Energy: 2.5611453706848555
Energy: 6.593032413034483
Energy: 6.592759454773583
Energy: 2.503589183167955
Energy: 4.5492559843062335
Energy: 2.5197148753308958
Energy: 6.663117662295333
Energy: 0.4658659019731059
Energy: 0.4598469032342459
Energy: 6.465200884328258
Energy: 0.46196829200261524
Energy: 2.4769469604479664
Energy: 4.659326571774185
Energy: 6.5722966075059475
Energy: 6.5990402563090935
Energy: 4.5525856527290305
Energy: 2.5266828744603917
Energy: 4.551394373995976
Energy: 4.597555241793094
Energy: 2.5138450304977327
Energy: 2.514496423225851
Energy: 4.597753554937596
Energy: 2.515997409971852
Energy: 0.4981729494358523
Energy: 0.5046516751209705
Energy: 4.500166561596523
Energy: 8.568067308826503
Energy: 4.499515673552024
Energy: 4.501786862285868
Energy: 4.494361021594394
Energy: 0.6259339705320691
Energy: 8.567959243192558
Energy: 4.494760140482939
Energy: 0.501197313553803
Energy: 8.552174425025456
Energy: 4.494501465141453
Energy: 4.557621717121973
Energy: 4.550272661497312
Energy: 4.545017058812604
Energy: 8.63169861298671
Energy: 4.546630312989937
Energy: 8.598493069228937
Energy: 4.72454038135291
Energy: 8.531859862673743
Energy: 4.485620819306741
Energy: 4.526737388037232
Energy: 4.5511815478706374
Energy: 4.483096482350279
Energy: 4.570631444013453
Energy: 8.54832033888748
Energy: 4.545242140117782
Energy: 4.582935657305878
Energy: 8.671563079611557
Energy: 4.545115392204987
Energy: 9.455874315023147
Energy: 4.48486744605739
Energy: 8.593525408606174
Energy: 8.644958245877463
Energy: 4.485258160212749
Energy: 8.593915399337682
Energy: 0.6681557391769775
Energy: 4.546250899229535
Energy: 4.5446058983210005
Energy: 4.643794931274863
Energy: 8.560036169673845
Energy: 8.640560736469087
Energy: 4.5551423273292695
Energy: 6.63230573030326
Energy: 10.617010187442247
Energy: 4.497566923241262
Energy: 6.628949015169683
Energy: 8.620097676764598

minimum gb energy = 0.4598469032342459 eV
minimum distance =  0.0017148679999316 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 3.9678731835561503
Energy: 8.803444558994943
Energy: 7.073567172438881
Energy: 3.8167457092480315
Energy: 8.806110080748068
Energy: 7.0750410240372466
Energy: 8.836472377351901
Energy: 5.492672071531447
Energy: 8.76548994855445
Energy: 8.771197759749645
Energy: 2.1754429891300973
Energy: 8.762000396271539
Energy: 4.19395536815861
Energy: 3.705621435771832
Energy: 3.704788020374999
Energy: 5.437945825880396
Energy: 3.7090635799779577
Energy: 7.055397756621019
Energy: 4.138817359764053
Energy: 3.705053289234075
Energy: 7.054596716259386
Energy: 5.436352709321397
Energy: 3.711875626279523
Energy: 7.054597298210963
Energy: 7.083099152401372
Energy: 2.115926491671326
Energy: 5.395164283401505
Energy: 3.739805263150487
Energy: 2.113243353054984
Energy: 5.385458309324967
Energy: 3.906762709471477
Energy: 5.388543516990542
Energy: 7.016566052188087
Energy: 3.7868869515469883
Energy: 5.398447523079063
Energy: 7.017269235299943
Energy: 5.408806079158991
Energy: 2.117635177119339
Energy: 2.1213781579493154
Energy: 5.385759113056806
Energy: 2.1874535745451467
Energy: 5.385302782276615
Energy: 0.5725691688386517
Energy: 3.7746444518391
Energy: 3.6898953620317663
Energy: 2.0842683318611166
Energy: 7.005460994158449
Energy: 5.352248741202184
Energy: 0.45221367947755636
Energy: 5.365518501567026
Energy: 5.363835278456175
Energy: 2.078875795507756
Energy: 3.6946097681800434
Energy: 5.363695228970907
Energy: 5.446961342220901
Energy: 2.0821945184471544
Energy: 2.084522581985226
Energy: 5.4328458185595725
Energy: 3.77304654401137
Energy: 2.084193911876478
Energy: 3.866798653155159
Energy: 2.0621545787064126
Energy: 5.364626412885405
Energy: 3.7754663109011344
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Energy: 5.398413202349477
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Energy: 0.4356589335558394
Energy: 0.42788231185464065
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Energy: 3.7431506839743567
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Energy: 5.4256149923270005
Energy: 0.4295276938527384
Energy: 5.33581664834711
Energy: 2.070265805250287
Energy: 0.4308061337845119
Energy: 5.329605484326146
Energy: 2.067882728687721
Energy: 2.151993016864522
Energy: 3.772917436713559
Energy: 3.769800483869444
Energy: 2.1110267771600117
Energy: 7.129591048575299
Energy: 3.769169898758998
Energy: 2.2064257813787327
Energy: 3.6891541038686255
Energy: 3.6907989074550045
Energy: 2.0985614959255474
Energy: 3.796573571844551
Energy: 2.1115522302248753
Energy: 3.817975234059988
Energy: 3.716539713057103
Energy: 3.70813702584076
Energy: 3.7501679192370063
Energy: 3.7135453760535473
Energy: 7.026302624239522
Energy: 7.084217761820517
Energy: 3.715936255223508
Energy: 3.70962529720642
Energy: 7.050374579871991
Energy: 5.3997467202103095
Energy: 7.026542369386285
Energy: 0.49445557977779675
Energy: 7.04092130068975
Energy: 7.040801455381819
Energy: 0.49530088088534313
Energy: 7.029976686091717
Energy: 3.736228577372044
Energy: 7.662198921980468
Energy: 3.794183786925981
Energy: 3.7898895982112832
Energy: 3.737158111333914
Energy: 7.011216150748932
Energy: 7.0461718320951
Energy: 3.8633057015351406
Energy: 3.725484690578255
Energy: 3.7363655005870307
Energy: 3.7991160336744696
Energy: 7.071119037475353
Energy: 3.736493341377159
Energy: 3.7632358940203257
Energy: 7.092891662614939
Energy: 3.736737224216239
Energy: 3.7407037531728675
Energy: 7.09067454618041
Energy: 7.042434407807221
Energy: 7.080941619975667
Energy: 7.087507602780538
Energy: 7.07907104947622
Energy: 7.081503218209272
Energy: 3.7940491332004913
Energy: 7.086178735426867
Energy: 0.623573187377295
Energy: 7.049324697302055
Energy: 10.395323756535118
Energy: 3.879955045968816
Energy: 7.049417765557807
Energy: 10.393448236030649
Energy: 7.7708125882365975
Energy: 3.732869985593686
Energy: 3.72922593019191
Energy: 7.1319355502037975
Energy: 7.042989148262559
Energy: 7.0277236071029785
Energy: 8.873316532518409
Energy: 7.078317679757332
Energy: 7.12507604489511
Energy: 8.801409961989732
Energy: 7.1414222599323525
Energy: 5.487717246169872
Energy: 3.9593401382812243
Energy: 8.76666698488967
Energy: 7.052470306427602
Energy: 3.7303080411013982
Energy: 8.763700976231114
Energy: 7.0532830858478235

minimum gb energy = 0.42788231185464065 eV
minimum distance =  0.00153308586252501 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 3.04583041822
Energy: 8.889719527421732
Energy: 7.624011209625908
Energy: 2.840460913148756
Energy: 8.886718909148353
Energy: 5.216243279422018
Energy: 8.953056706450212
Energy: 6.463799642085656
Energy: 6.463805057288332
Energy: 8.919475818855483
Energy: 4.065211540168352
Energy: 8.857212836834444
Energy: 8.332261036223938
Energy: 5.1698268435705454
Energy: 5.201968679748721
Energy: 6.430870744639707
Energy: 5.170734505370852
Energy: 5.20186178282031
Energy: 3.1160647813510702
Energy: 5.201930974880283
Energy: 5.201758972463864
Energy: 4.056686410043863
Energy: 5.2062640060811995
Energy: 7.62310633257157
Energy: 7.629350271064367
Energy: 4.0114251453054655
Energy: 6.434617651108003
Energy: 7.629214999794586
Energy: 1.6332072928136951
Energy: 6.412135077471184
Energy: 2.7910311937591827
Energy: 6.416036083587041
Energy: 7.64629116358682
Energy: 2.813023874804411
Energy: 6.41545538984279
Energy: 5.169221440013255
Energy: 6.429714336105076
Energy: 1.6301895240608035
Energy: 4.0114254394203455
Energy: 6.465583556131333
Energy: 1.651755804083703
Energy: 4.011635367637662
Energy: 3.105395718156081
Energy: 5.166934024740197
Energy: 5.16808767243201
Energy: 3.9858462393227296
Energy: 5.156588562646745
Energy: 5.167652656359267
Energy: 0.4162992355065995
Energy: 5.1815253504369885
Energy: 6.413197444999488
Energy: 1.5983960863811568
Energy: 5.205891683447252
Energy: 6.413142652284252
Energy: 5.200571548340476
Energy: 1.5840980936620392
Energy: 3.9685061902863534
Energy: 6.414586051044503
Energy: 1.5745489204854426
Energy: 3.968849940138661
Energy: 2.792095312881277
Energy: 3.9683231847253646
Energy: 6.401213697193359
Energy: 2.791636835134934
Energy: 3.968079696493681
Energy: 5.156875139213615
Energy: 3.9892127827471295
Energy: 1.6299199212871316
Energy: 1.5822614748243984
Energy: 4.047015679113859
Energy: 1.6347058773555294
Energy: 1.5907849579339157
Energy: 0.4441090531351733
Energy: 5.251516156867469
Energy: 6.388472602883585
Energy: 1.6206596368143857
Energy: 5.21832455938393
Energy: 3.983071189704573
Energy: 0.3722515313799527
Energy: 3.9603808391493907
Energy: 3.95980626370587
Energy: 0.37342277923220124
Energy: 4.01522185770415
Energy: 3.959626323059995
Energy: 4.0022918314655564
Energy: 4.010955825095679
Energy: 4.0119435149873155
Energy: 4.013782372895679
Energy: 2.8143757493466213
Energy: 1.5671130594366585
Energy: 4.005313822128792
Energy: 1.5560504044029788
Energy: 3.959667558518659
Energy: 4.010642347954971
Energy: 1.5555989824657495
Energy: 4.027516969189092
Energy: 2.811749178502831
Energy: 0.36465520321741046
Energy: 0.3658407415387478
Energy: 2.7899051923604827
Energy: 0.3647572060884338
Energy: 2.8107123813300405
Energy: 2.806749595676369
Energy: 4.009299707435657
Energy: 4.00930464323328
Energy: 2.790509450315061
Energy: 3.996530340942563
Energy: 4.012694982209494
Energy: 0.3645410593511997
Energy: 3.9403553458551177
Energy: 3.940490850110155
Energy: 0.36567026262285235
Energy: 3.926099644040183
Energy: 0.3648713556278189
Energy: 1.6088567251261143
Energy: 5.2304898358001015
Energy: 5.247991826828591
Energy: 1.60405818671351
Energy: 5.2155954572899486
Energy: 4.0151089657183645
Energy: 1.6101310856350681
Energy: 0.3719938578251152
Energy: 0.37335327934597806
Energy: 1.600633715438391
Energy: 0.3719529558223095
Energy: 1.589996732801361
Energy: 4.00329176840555
Energy: 2.751559210887497
Energy: 5.17030273871675
Energy: 5.235234084628957
Energy: 2.751353162795631
Energy: 5.156164812008647
Energy: 5.203149912263596
Energy: 3.975171819950901
Energy: 3.960215440959441
Energy: 5.203383590523215
Energy: 1.5885702947299976
Energy: 2.741753425567981
Energy: 0.3881148910107367
Energy: 5.176537734010668
Energy: 5.176273671662527
Energy: 0.3892683445983591
Energy: 5.199621614676816
Energy: 5.1761302068968655
Energy: 0.4945577720534836
Energy: 5.2559012170414485
Energy: 7.6207905685575295
Energy: 2.7876187444973466
Energy: 5.250242997128117
Energy: 5.171144106039975
Energy: 5.2096801379189195
Energy: 2.8702145690501393
Energy: 2.7532898693723893
Energy: 5.26174063927966
Energy: 2.8964693958014114
Energy: 2.780743538939813
Energy: 2.7922739374149232
Energy: 5.1913721809413245
Energy: 7.637716620025396
Energy: 2.8019989887169063
Energy: 5.190980077738733
Energy: 5.162140602419097
Energy: 7.631765692468305
Energy: 2.780801279719365
Energy: 5.190961662363638
Energy: 7.631725426434089
Energy: 2.78315220071789
Energy: 5.190986105785094
Energy: 0.45749113847883566
Energy: 5.191594795727266
Energy: 7.634133333136033
Energy: 2.8138521847469975
Energy: 5.179841328239538
Energy: 7.634740132450179
Energy: 5.723121181136591
Energy: 5.166620705841693
Energy: 5.179844553287543
Energy: 5.215689288624572
Energy: 5.172453438454191
Energy: 5.192515879885412
Energy: 7.717041807086981
Energy: 2.85689714682373
Energy: 5.246037566904528
Energy: 7.675024772289767
Energy: 2.8563288307197796
Energy: 5.245502124016581
Energy: 2.7954615000821104
Energy: 7.64443677696437
Energy: 7.622387551812006
Energy: 2.7560893676492992
Energy: 7.627023344145107
Energy: 5.180322358086556
Energy: 7.637842158689485
Energy: 5.24524521947929
Energy: 7.654654278955154
Energy: 7.639330760635993
Energy: 2.8601464540611476
Energy: 7.628292234493338
Energy: 5.774445579941588
Energy: 5.219594089453877
Energy: 5.219655071478
Energy: 5.2918844309296915
Energy: 5.184401124240402
Energy: 7.635931876250616
Energy: 10.96663481087832
Energy: 5.181573107537057
Energy: 5.1769164733854485
Energy: 7.646739503494518
Energy: 5.206795514731673
Energy: 5.219499254271581
Energy: 7.733041403093898
Energy: 6.463740128249609
Energy: 6.46365455537827
Energy: 8.759021559896194
Energy: 5.312338758888759
Energy: 8.857226775882634

minimum gb energy = 0.3645410593511997 eV
minimum distance =  3.48331472718057e-05 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.03839310037336726
Energy: 18.853041897873748
Energy: 0.039854924979439564
Energy: 0.040380582399645454
Energy: 18.85290287016743
Energy: 0.03916136991454976
Energy: 18.822073322243394
Energy: 18.84011136474191
Energy: 18.840150846788116
Energy: 18.823997496947054
Energy: 18.8404700638064
Energy: 18.852587114111092
Energy: 0.06615186473784905
Energy: 0.03893458537481745
Energy: 0.0396577617846528
Energy: 18.870657301962044
Energy: 0.03903801236067948
Energy: 0.039253905765972354
Energy: 0.04159628848822226
Energy: 0.03906478003289653
Energy: 0.040283451489600414
Energy: 18.842048057315765
Energy: 0.03897815650124975
Energy: 0.0682679825595574
Energy: 0.08530798199424515
Energy: 18.871134905191482
Energy: 18.872320352575183
Energy: 0.08528467725663656
Energy: 18.870975293809252
Energy: 18.85230385495213
Energy: 0.03942559643804101
Energy: 18.853231986734208
Energy: 0.04061513758777092
Energy: 0.040955049938163894
Energy: 18.85245119491642
Energy: 0.03919058428253209
Energy: 18.82284917879633
Energy: 18.840484138326328
Energy: 18.841383245142815
Energy: 18.822151638897267
Energy: 18.840626552858442
Energy: 18.852333079363746
Energy: 0.06815190949599663
Energy: 0.03894843014598991
Energy: 0.04131472508934246
Energy: 18.87050723087425
Energy: 0.03886001747060465
Energy: 0.040537552710092566
Energy: 0.04059725188951165
Energy: 0.03891580629856517
Energy: 0.04064975382226189
Energy: 18.84139666619718
Energy: 0.03922480104518256
Energy: 0.06723835055076326
Energy: 0.03973031640849682
Energy: 18.87084962672932
Energy: 18.822177791779374
Energy: 0.04041861745448854
Energy: 18.871229396425413
Energy: 18.82222905219651

minimum gb energy = 0.03839310037336726 eV
minimum distance =  1.25313689682658 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 5.879511753253991
Energy: 9.662295295885349
Energy: 5.761882262730523
Energy: 5.744656461362741
Energy: 9.5678116899189
Energy: 5.749210194666886
Energy: 9.731326848875375
Energy: 4.439945985052402
Energy: 7.050778069160388
Energy: 9.731758172444891
Energy: 5.77211892800754
Energy: 7.051261334205448
Energy: 6.2524793708653625
Energy: 5.718410497278992
Energy: 5.700998848309597
Energy: 5.752555598554781
Energy: 5.652897312551391
Energy: 8.307671376762254
Energy: 6.243426892352714
Energy: 5.724077129654485
Energy: 5.701986740562746
Energy: 5.752888523799239
Energy: 5.7256959120005595
Energy: 8.307933868351713
Energy: 5.701189864919305
Energy: 5.724775995761415
Energy: 5.722270682758793
Energy: 5.7008649536703055
Energy: 3.113182372080585
Energy: 8.278814110227417
Energy: 5.674358145573031
Energy: 8.307984271230639
Energy: 5.702152309719131
Energy: 5.635318671052489
Energy: 5.722508170612728
Energy: 5.676635955973509
Energy: 8.386789719672395
Energy: 3.1020267151204863
Energy: 5.715868528003269
Energy: 8.384523114525896
Energy: 3.074495801451998
Energy: 5.721313436151604
Energy: 6.194525125579372
Energy: 5.634938329761176
Energy: 5.664754867763152
Energy: 5.703430009826391
Energy: 2.9767331266579484
Energy: 5.691109878741074
Energy: 0.3764896386253384
Energy: 5.690105207139058
Energy: 8.372057930490639
Energy: 3.0789043062819617
Energy: 5.6958516331993065
Energy: 5.706166251449874
Energy: 5.679254387059891
Energy: 3.0653130132590944
Energy: 5.691279179148173
Energy: 5.678524365630223
Energy: 3.0685924635464548
Energy: 5.692623395711899
Energy: 5.666971998667625
Energy: 5.691151753141538
Energy: 5.690805279362604
Energy: 5.662305141997662
Energy: 3.0629213275282465
Energy: 5.680225015321093
Energy: 3.043408383811268
Energy: 3.0256038008202606
Energy: 0.4500699122685962
Energy: 3.0442133299247245
Energy: 3.0278029730249507
Energy: 3.060741860315883
Energy: 0.3780729342481413
Energy: 2.9833098046403155
Energy: 5.626695461871897
Energy: 3.044448091063843
Energy: 2.9874540296777536
Energy: 5.673707760345037
Energy: 1.7228444129099334
Energy: 5.688293904288012
Energy: 5.687437161459455
Energy: 1.7117676410649738
Energy: 5.6687542580289785
Energy: 4.385322351407833
Energy: 5.667861232318531
Energy: 0.35638920454427275
Energy: 3.031784985447097
Energy: 5.663082658395238
Energy: 0.35975791324605777
Energy: 3.02741700272364
Energy: 5.665515158483961
Energy: 4.3401014722451015
Energy: 4.3917484864824345
Energy: 5.651915622407591
Energy: 1.6669835698582012
Energy: 4.337860298856745
Energy: 0.34950196763536934
Energy: 1.6834912369197093
Energy: 1.693442148305975
Energy: 0.35029256196676267
Energy: 1.6843204114392425
Energy: 1.691378763012546
Energy: 1.684937822368126
Energy: 2.9927812655296098
Energy: 2.980911577873147
Energy: 1.6850745361781216
Energy: 2.9924449659490677
Energy: 2.9932429073599094
Energy: 4.340761644967732
Energy: 4.385309184400457
Energy: 1.7053495507301986
Energy: 4.330785573889725
Energy: 3.0252275449682253
Energy: 4.413567017032461
Energy: 4.420878528503815
Energy: 0.3455170552745928
Energy: 0.34525438829656335
Energy: 4.378366234938917
Energy: 0.3485888457729324
Energy: 1.6865736546758427
Energy: 3.0915027873316916
Energy: 4.299332301216387
Energy: 4.300020393161121
Energy: 3.0160492598870663
Energy: 4.299675821952522
Energy: 4.299998996205366
Energy: 0.35965735757900796
Energy: 4.315769523065851
Energy: 4.298884671209582
Energy: 0.36053947563407696
Energy: 4.3181538150072365
Energy: 4.3592689089220595
Energy: 4.346376298038907
Energy: 1.7385340827776683
Energy: 1.7383393113180454
Energy: 4.346034088988765
Energy: 0.37934103757473275
Energy: 4.3677535593058545
Energy: 5.813636368755417
Energy: 4.35743680767034
Energy: 4.426660975205694
Energy: 5.648304193541624
Energy: 4.3574935759741535
Energy: 5.752138442707979
Energy: 4.347615526107803
Energy: 1.710332727397127
Energy: 1.7086298704602918
Energy: 4.348045007525909
Energy: 1.7130385808057582
Energy: 1.7093097534066979
Energy: 3.2544696416088876
Energy: 5.628656865999751
Energy: 5.629720511373268
Energy: 1.7206338470310703
Energy: 2.9869029975364065
Energy: 7.028384094501819
Energy: 0.41520874876073494
Energy: 5.704480058850282
Energy: 5.689839111549365
Energy: 1.7400654922554115
Energy: 5.68639207554959
Energy: 7.026518542354103
Energy: 5.687204172869972
Energy: 4.39163851906117
Energy: 4.392441176815323
Energy: 5.687093441740644
Energy: 1.775099503008001
Energy: 7.039203255285216
Energy: 5.6698392198439835
Energy: 6.9910948807208655
Energy: 5.69493731150345
Energy: 5.6280609316319214
Energy: 4.400107896553812
Energy: 5.672779566562941
Energy: 7.029071380409966
Energy: 4.425057531156613
Energy: 4.423429611317257
Energy: 7.029894990466829
Energy: 4.425611027083783
Energy: 4.389968801949485
Energy: 9.080271599479117
Energy: 5.640793587222426
Energy: 5.714553539060409
Energy: 7.022755001335736
Energy: 2.9919446775836898
Energy: 5.69467565404044
Energy: 0.48778250454630717
Energy: 5.693744265803848
Energy: 8.37269711621479
Energy: 4.404169649246268
Energy: 5.697741928138607
Energy: 7.024413969325772
Energy: 5.7141265506595875
Energy: 7.041215105485111
Energy: 9.662971422814763
Energy: 5.713728711890364
Energy: 7.041606640581044
Energy: 8.32695852788879

minimum gb energy = 0.34525438829656335 eV
minimum distance =  0.0003648077728959 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 4.372823045101716
Energy: 10.000400866983227
Energy: 4.328449270663338
Energy: 4.302768619636055
Energy: 10.00036003849712
Energy: 4.330339440228239
Energy: 9.975253478563523
Energy: 6.198030004596242
Energy: 6.192958260409724
Energy: 9.97600494226255
Energy: 4.361169433678395
Energy: 9.938807111172455
Energy: 8.767703154479502
Energy: 4.231768326094542
Energy: 8.034122397813038
Energy: 8.06300782137855
Energy: 4.238186739354035
Energy: 8.031589548069164
Energy: 8.75898279349007
Energy: 8.036592943392085
Energy: 8.03267458480716
Energy: 8.059937925317655
Energy: 4.278667388207771
Energy: 8.030370236009873
Energy: 8.043381465851681
Energy: 4.283631131140976
Energy: 8.030585316452933
Energy: 8.04410878062074
Energy: 4.296820530169443
Energy: 8.032270031578433
Energy: 4.212718721956165
Energy: 8.037866983825928
Energy: 4.217206474870149
Energy: 7.952145453663222
Energy: 7.96651740544944
Energy: 4.233534606937545
Energy: 8.039950196099314
Energy: 4.253824722317773
Energy: 4.287639890831857
Energy: 8.040970270215794
Energy: 4.250213593661282
Energy: 4.285113217284303
Energy: 0.512197063229253
Energy: 4.188413416890887
Energy: 4.191722095350871
Energy: 4.270837062387181
Energy: 4.186171209439835
Energy: 8.020497844165394
Energy: 2.4241728504367357
Energy: 8.015207833086476
Energy: 8.014030180024319
Energy: 2.425235182496922
Energy: 8.017137725779001
Energy: 4.263960551348467
Energy: 4.231830868161609
Energy: 0.4613403675625527
Energy: 4.263167143296922
Energy: 4.2601158312637555
Energy: 0.45830464946668376
Energy: 4.265780495056874
Energy: 7.996194355337273
Energy: 6.156783936729754
Energy: 4.1654312506816495
Energy: 7.969842658372579
Energy: 6.158148486252568
Energy: 4.173700021077991
Energy: 0.43403807496226937
Energy: 2.4013279229948017
Energy: 2.3995388032572964
Energy: 0.4348495650771761
Energy: 2.403700558686683
Energy: 2.367269844967359
Energy: 0.4339142649219102
Energy: 4.236166335933969
Energy: 4.273398498621101
Energy: 0.4345170475137241
Energy: 4.2358423582128815
Energy: 4.276281672290668
Energy: 6.188305167562441
Energy: 6.146444475240457
Energy: 2.3943471644366348
Energy: 6.182382010666221
Energy: 6.146309299367257
Energy: 2.319456225223475
Energy: 2.335616919186947
Energy: 0.4330999612515913
Energy: 2.3337011701794297
Energy: 2.325841385555673
Energy: 0.42944297862969516
Energy: 2.3335822572018836
Energy: 4.2975629317424255
Energy: 6.138986315714733
Energy: 6.10539378376689
Energy: 4.263873409606283
Energy: 6.138201894283846
Energy: 2.3443587014332956
Energy: 0.45858970571034946
Energy: 4.192759570336028
Energy: 4.196116231124021
Energy: 2.352781812224113
Energy: 4.189675627213118
Energy: 6.106814169730019
Energy: 6.125167821349544
Energy: 0.4828787178102791
Energy: 2.3967507246154733
Energy: 6.12634367508067
Energy: 2.378450742880996
Energy: 2.365227270916122
Energy: 4.316086903979969
Energy: 6.088362052822534
Energy: 4.290083946539873
Energy: 7.9481237396892475
Energy: 6.176509840321188
Energy: 4.165146656589698
Energy: 6.128990227204762
Energy: 2.375976013472967
Energy: 2.3793375149933076
Energy: 6.128978493557932
Energy: 2.3890781084225905
Energy: 6.133924373027011
Energy: 4.58944197172405
Energy: 8.025768392924135
Energy: 8.018225052293301
Energy: 6.152174908287919
Energy: 4.265576437818281
Energy: 8.017470422232197
Energy: 4.646452262074681
Energy: 4.186327669160361
Energy: 8.018730207530814
Energy: 6.148154030976157
Energy: 4.2642430892157375
Energy: 8.0180439413519
Energy: 8.065340908764973
Energy: 6.1978131067484945
Energy: 6.1930826870025175
Energy: 8.066449457508847
Energy: 2.407948358234593
Energy: 9.938144414369983

minimum gb energy = 0.42944297862969516 eV
minimum distance =  0.000216140402926964 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 5.423838472937818
Energy: 7.780505605742458
Energy: 10.111807685202352
Energy: 5.347445984341548
Energy: 7.778500311708365
Energy: 5.346954267719672
Energy: 7.786533000824379
Energy: 7.755084632673266
Energy: 7.746856139117771
Energy: 7.78005730546559
Energy: 5.4180849729144205
Energy: 7.7473593745311
Energy: 11.010036674631959
Energy: 5.298695086233368
Energy: 5.326088353760604
Energy: 5.3649826894958625
Energy: 5.299216028945942
Energy: 5.3294523474150814
Energy: 10.99986501392443
Energy: 5.3245716448564
Energy: 5.331510238114621
Energy: 5.372756966291183
Energy: 5.325515909848003
Energy: 5.330193643886219
Energy: 10.096385537323414
Energy: 5.340121855574524
Energy: 5.328563700914231
Energy: 10.086920284183385
Energy: 0.5453604678645338
Energy: 5.330845643778362
Energy: 5.382405820243904
Energy: 5.281910580539278
Energy: 10.025023528635508
Energy: 5.278905480734651
Energy: 5.290565159863895
Energy: 5.255030810964311
Energy: 5.3350049533470045
Energy: 0.48412058793139184
Energy: 5.3324248223618005
Energy: 5.336121125889572
Energy: 0.48353327441301996
Energy: 5.3339010134586795
Energy: 0.537817875376466
Energy: 5.217291296885335
Energy: 5.216900792244964
Energy: 0.5388254337395907
Energy: 5.2458214159538725
Energy: 5.322304669278046
Energy: 2.9010729383826734
Energy: 5.315068601550675
Energy: 7.698252818324407
Energy: 2.902002177490602
Energy: 5.3130991794496625
Energy: 7.696868552135634
Energy: 7.757697322506844
Energy: 0.4874841861875536
Energy: 0.48245221406375133
Energy: 7.762647192138835
Energy: 0.4841890329854599
Energy: 2.9329194436096597
Energy: 5.3394433932737035
Energy: 2.940459078505324
Energy: 7.704087547367043
Energy: 5.291187586898639
Energy: 2.9092479029364235
Energy: 7.702065030632796
Energy: 0.48248096652571987
Energy: 2.88930726797023
Energy: 2.9059381881010786
Energy: 0.4824490864343974
Energy: 0.49557369194579926
Energy: 2.903974480165591
Energy: 2.8890199746736434
Energy: 2.8998635124506467
Energy: 0.48234899597041675
Energy: 2.890174588870329
Energy: 2.9020675303093926
Energy: 2.8983086029808782
Energy: 5.347945460172102
Energy: 2.9219435044872655
Energy: 7.711030207461759
Energy: 5.2537269737903545
Energy: 2.923368909185576
Energy: 5.32111508025885
Energy: 5.295144456211543
Energy: 2.907497864010749
Energy: 2.907601331244777
Energy: 5.31316521846938
Energy: 2.920374645990774
Energy: 2.9089596023273274
Energy: 0.49040175225892546
Energy: 5.310837695875469
Energy: 5.309123985940125
Energy: 2.904725276298445
Energy: 5.30643539546201
Energy: 7.702019924985612
Energy: 5.781039432109
Energy: 5.2112506961160925
Energy: 5.213347670710275
Energy: 2.962022152883168
Energy: 5.237715376618303
Energy: 5.30869562369191
Energy: 7.784988492087969
Energy: 2.9335060541242086
Energy: 7.746715572487793
Energy: 7.785028461442687
Energy: 2.9374974018386655
Energy: 7.7476249651400195
Energy: 5.422626484737942
Energy: 7.746254061482424
Energy: 10.110209106122342
Energy: 5.236039203379359
Energy: 7.758392095875755
Energy: 5.346139690878979
Energy: 10.11288614318281
Energy: 7.753272846772819
Energy: 7.757081475284566
Energy: 10.00279373247662
Energy: 2.927177102858276
Energy: 7.747520100767858
Energy: 11.010828722558017
Energy: 5.32494869377855
Energy: 5.3308019180270865
Energy: 5.363941315114253
Energy: 5.323801860367109
Energy: 5.32914758096822
Energy: 10.999727126356714
Energy: 5.3346135333442275
Energy: 5.324898694051315
Energy: 5.365711548352991
Energy: 5.348148659117008
Energy: 5.3303862793104955
Energy: 5.332452488049991
Energy: 5.3254085037758765
Energy: 5.3292550887326735
Energy: 5.332680197555507
Energy: 5.41765714670783
Energy: 5.33165569238272
Energy: 5.384713087066475
Energy: 5.3713882380110505
Energy: 10.108560657914134
Energy: 5.217101896180482
Energy: 5.355424569806473
Energy: 5.333993456093261
Energy: 5.337174352944478
Energy: 5.329651037983081
Energy: 5.330856547762691
Energy: 5.338187188896048
Energy: 0.48418558958349056
Energy: 5.332560467007479
Energy: 0.536149201944456
Energy: 5.242214084007265
Energy: 5.321648933836081
Energy: 0.5372161836719732
Energy: 5.246200802570047
Energy: 5.317563716026358
Energy: 2.9011451522870066
Energy: 5.285724913204552
Energy: 5.316424964311423
Energy: 2.901204973145617
Energy: 5.28490787868618
Energy: 7.698002072907822
Energy: 7.758188958681864
Energy: 0.4824414421343057
Energy: 0.48232927100924433
Energy: 7.761784965864543
Energy: 0.4851029543713342
Energy: 2.932077836263066
Energy: 5.338263048538656
Energy: 2.9089946741985893
Energy: 7.704628954218734
Energy: 5.327949706685218
Energy: 2.897805851177654
Energy: 7.702363380985395
Energy: 0.4824587754586801
Energy: 2.903493429780991
Energy: 2.902989997294124
Energy: 2.892948048574716
Energy: 0.48132076855954936
Energy: 2.905878977199894
Energy: 2.8871796638379927
Energy: 2.899511024608197
Energy: 2.862268829360634
Energy: 2.8883612087544273
Energy: 2.904514098394888
Energy: 0.48243885797443425
Energy: 5.348864160371469
Energy: 2.910523631592323
Energy: 7.7017054915013885
Energy: 5.2514913229799385
Energy: 2.9220961742935585
Energy: 5.32077748487304
Energy: 5.2950554924962265
Energy: 2.9082603827471427
Energy: 2.9078823853174316
Energy: 5.31819406858529
Energy: 2.9202088477262786
Energy: 7.702371484602659
Energy: 0.48961981181073455
Energy: 5.310138536072998
Energy: 7.701638486752438
Energy: 2.963607233905589
Energy: 5.310761858623364
Energy: 7.701289053204412
Energy: 5.780847594219114
Energy: 5.213133290199262
Energy: 5.210808715066694
Energy: 2.9590489635369925
Energy: 0.4711090089597101
Energy: 5.216570648191138
Energy: 7.7832751959805435
Energy: 2.932479729708344
Energy: 2.9393700217274707
Energy: 7.784527882252887
Energy: 7.709045145220466
Energy: 7.747685807224338
Energy: 5.298891667465782
Energy: 7.751850534702747
Energy: 10.098127394477956
Energy: 5.211305649418083
Energy: 7.750736447422256
Energy: 5.258469277946483

minimum gb energy = 0.4711090089597101 eV
minimum distance =  0.000407447078293217 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.7707932940555253
Energy: 10.42775221468807
Energy: 7.148178345202866
Energy: 0.5995833570917718
Energy: 10.430470397749538
Energy: 7.1478357832549415
Energy: 10.438755729102713
Energy: 7.148097658707088
Energy: 10.37199766636335
Energy: 10.370607871336317
Energy: 7.219045762687807
Energy: 10.372403338814504
Energy: 14.876949035748833
Energy: 7.120502194706767
Energy: 7.11967721424942
Energy: 7.152663879770472
Energy: 7.121089907324873
Energy: 7.120863007829117
Energy: 0.5795983941499285
Energy: 7.1192877375342025
Energy: 7.11859052049682
Energy: 7.164296173718156
Energy: 7.121174649256328
Energy: 7.165894680643808
Energy: 7.130084211162305
Energy: 7.13118058628633
Energy: 7.122736943609216
Energy: 7.119162922190389
Energy: 0.5821568050438786
Energy: 7.119177241470434
Energy: 0.5999349485715819
Energy: 7.120702864457851
Energy: 7.121847039166343
Energy: 0.5458245987920007
Energy: 7.120752789260218
Energy: 7.126057250995537
Energy: 7.123258146538474
Energy: 3.840031692190763
Energy: 3.839249440636791
Energy: 7.124548231434154
Energy: 3.8400420006386073
Energy: 3.8380368134379537
Energy: 0.5672850882820856
Energy: 7.1266005846156135
Energy: 7.129648375878888
Energy: 0.5683855689948989
Energy: 7.124389583764783
Energy: 7.126157177680798
Energy: 0.5946758081566484
Energy: 10.364523057138856
Energy: 3.8755847717775342
Energy: 0.5328870543361984
Energy: 10.364885814484563
Energy: 3.8347810760601497
Energy: 3.8825597766718465
Energy: 3.8386064859638904
Energy: 3.832417152294788
Energy: 3.8342214537459993
Energy: 3.836280595676934
Energy: 3.833756873891936
Energy: 0.5746532069008653
Energy: 3.835732413397291
Energy: 3.8348849729221053
Energy: 0.548358341350461
Energy: 7.113358538230092
Energy: 3.871672365926296
Energy: 7.721291041135193
Energy: 7.112934107597205
Energy: 7.11361381699016
Energy: 3.8633160444521355
Energy: 7.112968684354074
Energy: 7.116333844874209
Energy: 10.436275553373976
Energy: 3.836206303993303
Energy: 3.8321689273406125
Energy: 10.380553832645013
Energy: 3.8343462048041514
Energy: 3.830558222580519
Energy: 0.5317598285240339
Energy: 10.359742076392179
Energy: 7.1131587388781155
Energy: 0.5362414981049867
Energy: 10.338287429262436
Energy: 7.113339968094347

minimum gb energy = 0.5317598285240339 eV
minimum distance =  0.00372846684536178 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 6.4448275742718
Energy: 10.700125367230685
Energy: 6.412484240843892
Energy: 6.403810124956315
Energy: 7.86593809891677
Energy: 3.5858210335679024
Energy: 10.786688312013252
Energy: 6.41119316734418
Energy: 7.809630361764971
Energy: 10.649138414914788
Energy: 5.128340341558339
Energy: 7.819358854366303
Energy: 0.7458171582062594
Energy: 6.3541963112429976
Energy: 6.35609174701392
Energy: 3.521270730391696
Energy: 6.352763544299665
Energy: 9.229511172274243
Energy: 0.6527939367783249
Energy: 6.3539007104347816
Energy: 9.228127920331504
Energy: 3.519240005193423
Energy: 6.352577428059479
Energy: 6.382331858908118
Energy: 4.968019737587817
Energy: 0.6149565659430084
Energy: 0.6143447986425227
Energy: 4.932258173281199
Energy: 0.6326378125700675
Energy: 3.50604860128933
Energy: 6.359221907511139
Energy: 4.918481145158025
Energy: 4.934745998291628
Energy: 6.360541352890226
Energy: 2.0772869764090394
Energy: 3.5237099808293397
Energy: 0.6265427473482377
Energy: 4.945835691670511
Energy: 4.947559431416864
Energy: 2.0491392756359312
Energy: 3.525703142443053
Energy: 4.949739319570223
Energy: 2.0757976943536063
Energy: 2.071118044387661
Energy: 2.0808744403811295
Energy: 2.075872459001822
Energy: 2.0626297081651623
Energy: 2.0473378740211254
Energy: 3.489166695304796
Energy: 4.955241183807676
Energy: 7.805474379201856
Energy: 3.515275870592134
Energy: 4.948080657966328
Energy: 6.367354719135728
Energy: 3.4890744138951666
Energy: 4.965706922886608
Energy: 7.803533799896923
Energy: 3.51246118590185
Energy: 4.9709544403088355
Energy: 6.367080973651927
Energy: 0.6291460956519973
Energy: 6.384143589095914
Energy: 9.262051247869852
Energy: 3.5019658085707737
Energy: 6.421405003019506
Energy: 9.230253500690694
Energy: 13.174551324705533
Energy: 6.3953956839496495
Energy: 6.397667471305351
Energy: 9.275254274551996
Energy: 3.5226564380395886
Energy: 6.407095634799343
Energy: 3.491344381166435
Energy: 9.232374893798552
Energy: 6.390483749790145
Energy: 3.489173233443702
Energy: 9.232460848886433
Energy: 6.3952116763765305
Energy: 6.364595551510018
Energy: 6.381642545233674
Energy: 6.381413272941687
Energy: 6.344714884407489
Energy: 3.5588088839259786
Energy: 6.387591209154776
Energy: 6.3651346698489775
Energy: 4.9069370457264485
Energy: 4.941557518735123
Energy: 6.365735825872437
Energy: 2.0621359451668564
Energy: 6.354711281600044
Energy: 0.6033218456561443
Energy: 4.937363718841103
Energy: 2.072594220903495
Energy: 0.6048566555678377
Energy: 4.930798993502669
Energy: 0.603182568476166
Energy: 4.9387533785474425
Energy: 3.4609441571556294
Energy: 4.944926033728199
Energy: 4.939576490285956
Energy: 3.4823875554055332
Energy: 4.945084479197911
Energy: 6.3645809385092225
Energy: 4.928570245487681
Energy: 4.930013849047832
Energy: 6.3672858381271595
Energy: 2.087423797143425
Energy: 3.506790373566109
Energy: 4.944706905659104
Energy: 4.999805092871675
Energy: 4.99460659226735
Energy: 4.943898846884412
Energy: 5.000595495582754
Energy: 2.08760982772222
Energy: 10.084879766645917
Energy: 6.321667605934933
Energy: 6.400249272955285
Energy: 5.016203151232783
Energy: 6.3635235075418874
Energy: 9.233428668943118
Energy: 0.6787122303932789
Energy: 6.366693195942371
Energy: 6.376354115012964
Energy: 4.990843687380069
Energy: 6.363213204257989
Energy: 7.81805732793438
Energy: 6.38411984767924
Energy: 6.397332592436024
Energy: 6.390887899142629
Energy: 6.3850676190368985
Energy: 3.5399213969298367
Energy: 9.23694138520503
Energy: 6.403817772369818
Energy: 9.239988890249894
Energy: 6.407936571506698
Energy: 6.354612837144974
Energy: 6.428385987282417
Energy: 6.396588132050406
Energy: 6.4484404290726225
Energy: 3.5057568617188233
Energy: 3.5142105689662477
Energy: 6.43351573762302
Energy: 3.511193940954698
Energy: 3.509802818227321
Energy: 0.6803473414330117
Energy: 6.367213341261383
Energy: 6.3672728959183695
Energy: 3.5090130542589266
Energy: 3.4984215311868447
Energy: 6.36928662208894
Energy: 4.942186829669307
Energy: 4.919230312076397
Energy: 4.888473679372816
Energy: 2.069687406171483
Energy: 3.4931069205901957
Energy: 4.937025784373351
Energy: 2.110660136014116
Energy: 0.6030077232345602
Energy: 2.0517023717399665
Energy: 2.0709000386943344
Energy: 0.6057648440612557
Energy: 2.0634750651622977
Energy: 0.6956963415696169
Energy: 4.92829641636272
Energy: 4.934289089040543
Energy: 0.63985176790388
Energy: 7.793048724262819
Energy: 4.935634982251583
Energy: 3.8525497744774406
Energy: 6.367443768343934
Energy: 6.366402660269481
Energy: 2.1528948775767778
Energy: 3.4783882435063087
Energy: 6.363241941066176
Energy: 7.957576538789648
Energy: 4.933371877226846
Energy: 4.955176118088981
Energy: 7.914733995269301
Energy: 4.929475433798467
Energy: 7.800598600157262
Energy: 6.441995526868204
Energy: 10.69665945742562
Energy: 6.4153015893984495
Energy: 6.318694306346152
Energy: 7.866967786779158
Energy: 6.404026573374303

minimum gb energy = 0.6030077232345602 eV
minimum distance =  0.00258703521034025 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 10.749896198272848
Energy: 5.786797685595459
Energy: 0.7136461677624558
Energy: 10.75151760084227
Energy: 5.782436462049074
Energy: 10.749570614401971
Energy: 5.7949150522967905
Energy: 5.745849619955856
Energy: 5.728134705464541
Energy: 5.743150670179687
Energy: 10.871082800573609
Energy: 5.724268288302735
Energy: 0.6469470932940738
Energy: 0.6387045834531475
Energy: 0.5981984533013335
Energy: 10.808719244697995
Energy: 0.5989137328611366
Energy: 10.80849672586913
Energy: 5.7494848129583
Energy: 10.80815010082128
Energy: 10.80960472487607
Energy: 15.836188469792306
Energy: 0.6159389289853454
Energy: 10.809852238441843
Energy: 16.041659328820447
Energy: 0.6099268046102582
Energy: 0.5877311958558896
Energy: 16.041579695823355
Energy: 0.6051271256270705
Energy: 5.740329070787766
Energy: 10.83005273995186
Energy: 5.698468167365713
Energy: 5.697989801865682
Energy: 10.831113370780749
Energy: 5.697672750405142
Energy: 15.724221947399442
Energy: 0.6484893012146096
Energy: 0.6307553633580214
Energy: 0.5749839254040257
Energy: 5.680531376571502
Energy: 0.6264464638249615
Energy: 5.680825688750087
Energy: 5.794905329224319
Energy: 5.69830221465639
Energy: 5.6792872312127995
Energy: 5.795491400601166
Energy: 5.696956629445122
Energy: 5.678642026434961
Energy: 10.749480954442912
Energy: 5.7458051944955235
Energy: 0.630284735398788
Energy: 10.749573466329755
Energy: 5.743368894187417
Energy: 10.749754519341785
Energy: 10.749537510808976
Energy: 5.749855150690162
Energy: 0.6333062048444233
Energy: 10.749570031428512
Energy: 5.803549168264931
Energy: 0.5656280721361615
Energy: 5.795106805873632
Energy: 10.772774913435816
Energy: 10.774064780226551
Energy: 5.795798568361811
Energy: 10.770915468053072
Energy: 10.785658778874751
Energy: 0.6427568444476669
Energy: 0.638543965977416
Energy: 0.598909009033903
Energy: 10.80819499962121
Energy: 0.638661444191707
Energy: 10.807504837120073
Energy: 5.749988457022835
Energy: 10.772287166647205
Energy: 10.808294045561706
Energy: 5.750518575439995
Energy: 10.771330891593951
Energy: 15.833316316442083
Energy: 16.040829911295607
Energy: 0.6482439907736435
Energy: 0.6459224375122539
Energy: 16.041708362189954
Energy: 0.648021900392748
Energy: 10.827305365854007
Energy: 10.827534861973584
Energy: 0.633165677401872
Energy: 5.705852403612168
Energy: 15.801312321799118
Energy: 0.6284827241755913
Energy: 5.679840167872162
Energy: 0.6470162177921032
Energy: 0.6332069296327384
Energy: 0.5662807676640949
Energy: 5.680717386807809
Energy: 0.6287566028924724
Energy: 5.678563545554673
Energy: 0.5650141740330884
Energy: 5.744752005059697
Energy: 5.725955894772852
Energy: 0.5648665907065276
Energy: 5.7444590879741755
Energy: 5.72531282364771

minimum gb energy = 0.5648665907065276 eV
minimum distance =  0.00427082214475444 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 4.921388767048565
Energy: 11.06716950727682
Energy: 4.801749462099664
Energy: 4.806847816974785
Energy: 7.009465802957431
Energy: 4.805519235974851
Energy: 11.181736398214525
Energy: 6.896300915013946
Energy: 6.89688401653367
Energy: 11.072111998617162
Energy: 4.85372514846138
Energy: 6.88293596698719
Energy: 0.64052951104149
Energy: 4.8249640751023115
Energy: 8.972126564728862
Energy: 4.826685475408393
Energy: 4.820770637331991
Energy: 4.824610284972221
Energy: 2.736539483638443
Energy: 4.831939415181125
Energy: 4.826992227292321
Energy: 2.7376209056899246
Energy: 8.967072901393756
Energy: 6.866180188312786
Energy: 2.7415582261762865
Energy: 2.733706138257433
Energy: 2.716870979870551
Energy: 2.7423788366108424
Energy: 0.6509039446358366
Energy: 2.7174236624166315
Energy: 0.6580078970477161
Energy: 6.85556701648795
Energy: 6.857309415429158
Energy: 0.6596564216628714
Energy: 6.937161797398955
Energy: 2.7509059559441766
Energy: 5.194208699844513
Energy: 4.845746962579818
Energy: 8.985817882581417
Energy: 6.881089316717384
Energy: 4.840155681414042
Energy: 8.984736736314826
Energy: 4.893453051673258
Energy: 4.7987378010059665
Energy: 6.885077534830382
Energy: 2.7220567846879624
Energy: 4.820955075692954
Energy: 6.888324472055811
Energy: 4.884102113656497
Energy: 8.97417237931025
Energy: 8.977369442797048
Energy: 4.820835286083131
Energy: 4.807542764891347
Energy: 4.825760596042754
Energy: 4.862667314926189
Energy: 4.802508323174771
Energy: 8.9746296005208
Energy: 4.819172211310208
Energy: 4.796923176795906
Energy: 8.976643761283356
Energy: 0.6498660285240013
Energy: 2.727796737328974
Energy: 2.7277426861813354
Energy: 0.6426936436502929
Energy: 2.728877547648428
Energy: 2.7258484447517324
Energy: 2.771582214979623
Energy: 4.801571576955326
Energy: 4.808438251183064
Energy: 2.772166065662153
Energy: 4.8051893658118825
Energy: 0.658794392781681
Energy: 4.841662540770077
Energy: 6.917171649068193
Energy: 6.916753539274583
Energy: 4.841430541426772
Energy: 2.713043597669833
Energy: 4.8519081347388395
Energy: 4.85303381990782
Energy: 2.7349872406533775
Energy: 6.915274864832118
Energy: 4.85338005919158
Energy: 2.7133946734453667
Energy: 6.917142952958784
Energy: 0.6500780925372164
Energy: 8.97346168257451
Energy: 4.806310305986776
Energy: 4.81784917030244
Energy: 8.970500316879868
Energy: 8.98007432794949
Energy: 9.757743715489486
Energy: 4.824395259063609
Energy: 8.976484448871002
Energy: 8.979109287825947
Energy: 4.822844979632041
Energy: 4.803501574067513
Energy: 4.824911921713312
Energy: 4.856617348840723
Energy: 4.791689456996871
Energy: 4.825898965439644
Energy: 4.826724217062868
Energy: 0.642593695983197
Energy: 4.817527992278666
Energy: 4.829160405070394
Energy: 4.829469625409827
Energy: 4.819566930953053
Energy: 0.6435167967727821
Energy: 4.8314150990203215
Energy: 4.823785274387316
Energy: 6.877256083002825
Energy: 6.877077958866598
Energy: 6.88401785068379
Energy: 4.802915649335916
Energy: 2.7463304435980573
Energy: 0.641721915347075
Energy: 6.876821365738974
Energy: 2.7482273163349187
Energy: 0.6413649650109798
Energy: 6.875797003077578
Energy: 2.7454167827424176
Energy: 4.898179601347821
Energy: 6.894941936085637
Energy: 6.896412253016425
Energy: 4.8191457054924545
Energy: 6.894817862255386
Energy: 11.071140777179243

minimum gb energy = 0.64052951104149 eV
minimum distance =  0.00221221179411904 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.0179281823901598
Energy: 2.601023454590384
Energy: 0.6133131762628126
Energy: 0.6737713578101755
Energy: 2.5984176323441863
Energy: 0.613129741920028
Energy: 2.406332772112422
Energy: 2.399936744308757
Energy: 2.399332257177267
Energy: 2.372439434030021
Energy: 2.405769245552723
Energy: 2.3946065230353173
Energy: 0.6606826820307459
Energy: 9.43046607776427
Energy: 9.429374891579123
Energy: 0.6622188809911498
Energy: 0.6673336783791631
Energy: 9.440232019742352
Energy: 2.4179586627100282
Energy: 9.448244804030676
Energy: 11.168356909380115
Energy: 2.4183813394950833
Energy: 9.449891005513795
Energy: 11.119742019319837
Energy: 0.6707163230647709
Energy: 2.375482292442394
Energy: 2.3728241306403985
Energy: 0.6716298938953521
Energy: 2.374406572847779
Energy: 2.36852181127485
Energy: 2.4218546225611157
Energy: 0.6201037587760219
Energy: 0.6364484539554841
Energy: 2.423202819923843
Energy: 0.6290613786873948
Energy: 0.6337422019859373
Energy: 0.6135452673616895
Energy: 0.6375567004321373
Energy: 0.6367845089364906
Energy: 0.6132278175011316
Energy: 0.6386733113459718
Energy: 0.612438183194127
Energy: 0.6473038168654086
Energy: 0.6172714975130577
Energy: 0.6389057643598073
Energy: 0.6480840177747169
Energy: 0.6128912515549448
Energy: 0.6441282774966514
Energy: 9.444587852691356
Energy: 9.412834404124574
Energy: 9.412992267475374
Energy: 9.444884287075174
Energy: 9.41239748797999
Energy: 9.411548003393891
Energy: 9.451972742803447
Energy: 11.175245396475873
Energy: 11.152196813377888
Energy: 9.439681661222341
Energy: 2.4322631354013913
Energy: 9.413184199209027
Energy: 0.6458724483894145
Energy: 2.3718218374260016
Energy: 2.3766551453119176
Energy: 2.3812903046424747
Energy: 0.6765099576960761
Energy: 2.378071139580586
Energy: 0.6413859777768602
Energy: 2.3986236128240215
Energy: 2.396920776626885
Energy: 0.6421813357466704
Energy: 2.406888590737243
Energy: 2.394748517145145
Energy: 0.7375488833299361
Energy: 0.6190972837482928
Energy: 0.6198137664347747
Energy: 0.6786022697442888
Energy: 0.6170705189013579
Energy: 0.6381248260031849
Energy: 0.7025426815041703
Energy: 0.6431723858757837
Energy: 0.6378245154899824
Energy: 0.686743227845073
Energy: 0.6405789273931621
Energy: 0.6386967874622785
Energy: 0.6776439097872987
Energy: 9.434075344694195
Energy: 9.41556402698063
Energy: 0.6784839067852992
Energy: 9.440668546341213
Energy: 9.415995794107623
Energy: 2.4309176143001316
Energy: 9.4144788027811
Energy: 9.414899856969315
Energy: 2.4243379621539254
Energy: 9.444991905439986
Energy: 9.414978956598567
Energy: 0.6369534865284759
Energy: 2.374650399042141
Energy: 2.3743346499271434
Energy: 0.6372232136819412
Energy: 2.3775245305376824
Energy: 2.3748030183813293
Energy: 2.421690173813986
Energy: 2.3783535927518797
Energy: 2.372534744948401
Energy: 2.4228468330552
Energy: 0.6301649998677499
Energy: 2.3727819480332317
Energy: 0.6337598316865617
Energy: 0.6355923892108697
Energy: 0.6459729671012695
Energy: 0.6309902048513735
Energy: 0.6327996392122212
Energy: 0.6428235731443237
Energy: 0.6509581544802774
Energy: 0.6366219007102194
Energy: 0.6459088678635992
Energy: 0.6516998313896593
Energy: 0.6338485043044694
Energy: 0.6459653835658505
Energy: 9.446023128112179
Energy: 9.4074618080153
Energy: 9.406240901336853
Energy: 9.444666075045259
Energy: 0.6667287821670945
Energy: 9.408079251959716
Energy: 0.6658070387609102
Energy: 9.409026918578396
Energy: 9.410214018547851
Energy: 0.6667020701534883
Energy: 9.408835927378183
Energy: 9.407098903498282
Energy: 9.443934064513677
Energy: 2.3849897143290484
Energy: 2.389542238387518
Energy: 9.44225763158054
Energy: 2.382634955718027
Energy: 2.3882377983043135
Energy: 0.6218100970752949
Energy: 2.3934991639875896
Energy: 2.3926306800088457
Energy: 0.6713978870598692
Energy: 2.4216617114289205
Energy: 2.3932322042291427
Energy: 0.621081000079135
Energy: 2.4061558253839848
Energy: 2.405733309524666
Energy: 0.6157293201013703
Energy: 2.40390949178712
Energy: 0.6163828192998875

minimum gb energy = 0.612438183194127 eV
minimum distance =  2.64201258933433 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 3.861512032903452
Energy: 11.29898609533047
Energy: 6.675333082740186
Energy: 3.631508240018614
Energy: 8.44188270013721
Energy: 6.675214980520689
Energy: 11.26966686714298
Energy: 5.207483196836968
Energy: 8.24089547462328
Energy: 11.270763108995942
Energy: 2.1910573361999814
Energy: 8.229463278509634
Energy: 0.6349837713308777
Energy: 6.6634816878702505
Energy: 6.666058170458749
Energy: 0.632265016702128
Energy: 6.662954602505819
Energy: 3.65059634159076
Energy: 5.194404868650142
Energy: 3.666610387603542
Energy: 5.175682397947144
Energy: 5.173175646880951
Energy: 3.6664838921851692
Energy: 5.153843352202789
Energy: 3.6517027920772476
Energy: 5.1595202788239
Energy: 5.159329456697336
Energy: 3.6528513890020675
Energy: 2.1393874727431053
Energy: 5.160296985662454
Energy: 2.182158644797995
Energy: 6.705330153756526
Energy: 6.7252366737587295
Energy: 2.176196682410959
Energy: 9.71460581520655
Energy: 8.220799990297328
Energy: 13.877237084426367
Energy: 6.6678791507946675
Energy: 6.670906013855355
Energy: 6.711273093677794
Energy: 6.682384864216874
Energy: 3.6597335488191782
Energy: 0.6705116364700503
Energy: 6.705680317865923
Energy: 9.71999821605575
Energy: 3.7042306396533813
Energy: 6.647483251690921
Energy: 9.72029468561361
Energy: 3.6515836414204963
Energy: 0.6310090368232727
Energy: 3.654026424881626
Energy: 3.650864773479568
Energy: 0.6344972279082814
Energy: 3.6518794715398397
Energy: 3.6451034380824203
Energy: 5.200461718851893
Energy: 2.1669670327113657
Energy: 3.6459740446984843
Energy: 5.208053784255476
Energy: 5.1909423040644604
Energy: 4.025470452910648
Energy: 6.666077840120114
Energy: 6.6617833427767446
Energy: 2.2402288967297666
Energy: 6.662139159069218
Energy: 3.63819985258688
Energy: 6.714413983599969
Energy: 5.1393186353642895
Energy: 5.13751929332574
Energy: 6.696760248988937
Energy: 5.136363091225101
Energy: 8.301017843550541
Energy: 3.6683587914694
Energy: 6.695552245769878
Energy: 6.668310130823669
Energy: 3.6598766115856294
Energy: 6.693807433149405
Energy: 6.669471098524661
Energy: 6.688739499974123
Energy: 6.68184216878057
Energy: 6.690452518527717
Energy: 6.677738175166126
Energy: 3.6746773790351055
Energy: 9.707797521139993
Energy: 0.625129750688362
Energy: 5.15679549479898
Energy: 2.125856141159907
Energy: 0.62554890023451
Energy: 5.152015833249689
Energy: 0.6056884244589679
Energy: 5.198291812553758
Energy: 3.649801559261911
Energy: 2.170459968230188
Energy: 5.199238572123617
Energy: 3.6471681603808133
Energy: 2.1628551829361404
Energy: 3.6679942115090074
Energy: 5.1579242584488005
Energy: 6.664873461376672
Energy: 3.670107958963506
Energy: 5.156424436716295
Energy: 6.664032075110202
Energy: 6.684444532819303
Energy: 5.154503381546261
Energy: 5.150790057028448
Energy: 6.684361625808354
Energy: 2.1330068617188918
Energy: 8.183168005105166
Energy: 0.6495250787962661
Energy: 6.669086556245267
Energy: 3.6342782118040367
Energy: 3.646475174176305
Energy: 6.672012428995286
Energy: 6.665913586124477
Energy: 0.6319420578616675
Energy: 6.669425235540664
Energy: 3.6344231291181015
Energy: 3.645208824271842
Energy: 6.674292744762742
Energy: 6.6657502087789
Energy: 2.1399944641304143
Energy: 2.1389391109951186
Energy: 2.1285921547682283
Energy: 2.1405099414541127
Energy: 0.6257810643187728
Energy: 2.1348985634663613
Energy: 2.145084815402356
Energy: 2.180330216188679
Energy: 2.1646449445141553
Energy: 2.145583769201339
Energy: 5.1565354196643645
Energy: 0.6061407166347771
Energy: 3.957236967616394
Energy: 6.66409489919338
Energy: 6.663539681242817
Energy: 5.194994713441122
Energy: 6.684406616333468
Energy: 6.668743443959513
Energy: 3.9755750925387576
Energy: 6.6639312542451
Energy: 6.668441245490566
Energy: 5.168971029896414
Energy: 6.683549347501768
Energy: 6.665653896564069
Energy: 6.67285314401785
Energy: 3.6382673092389757
Energy: 3.638540214702756
Energy: 6.673157721557146
Energy: 3.641962081202755
Energy: 6.6633223054512465
Energy: 3.6616101466823134
Energy: 3.6406916423397373
Energy: 6.6619657563832275
Energy: 3.6633274946241654
Energy: 3.6396333537635615
Energy: 6.662804703435083
Energy: 0.6371325736084372
Energy: 5.151117189232889
Energy: 5.16208083045901
Energy: 0.6334370345284107
Energy: 5.1519999166927715
Energy: 2.1395862617832253
Energy: 2.2050026939992406
Energy: 2.147524421092181
Energy: 2.1375519545619075
Energy: 0.6343269361529613
Energy: 5.152405514835551
Energy: 2.1368738212701968
Energy: 3.6806686282058125
Energy: 8.269344955989196
Energy: 11.258844550461768
Energy: 3.649748846741511
Energy: 8.26812603806299
Energy: 6.666079479630133

minimum gb energy = 0.6056884244589679 eV
minimum distance =  0.000135261624996358 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 5.908223296881526
Energy: 8.718915698146935
Energy: 5.933587313708689
Energy: 5.910042127916767
Energy: 8.719712177459778
Energy: 5.90742984292579
Energy: 8.640698305721825
Energy: 3.3160915065211833
Energy: 8.640962571565064
Energy: 8.640583504889666
Energy: 3.3311724084156906
Energy: 8.631640878326873
Energy: 0.6354721150457584
Energy: 5.908562165667733
Energy: 5.908829597445043
Energy: 0.6273923782613695
Energy: 5.9097830680583545
Energy: 5.910235985487073
Energy: 3.2824677565935887
Energy: 8.576053306124486
Energy: 8.574839283255294
Energy: 3.278093888749422
Energy: 5.906735709043429
Energy: 8.571242535656225
Energy: 5.90094786829052
Energy: 3.2706297713187826
Energy: 3.269994217064582
Energy: 5.9021251437805535
Energy: 3.270679439483554
Energy: 5.901463534249862
Energy: 3.282423784604617
Energy: 5.935726459773083
Energy: 8.706966989021762
Energy: 3.2827042185398367
Energy: 5.933621600851557
Energy: 8.70636154658751
Energy: 12.26413563260952
Energy: 5.9225676279378945
Energy: 5.9195921562944775
Energy: 5.961818538753414
Energy: 5.92514806953208
Energy: 5.920111318627413
Energy: 0.6147584810281582
Energy: 11.282162012856137
Energy: 11.284199118817119
Energy: 5.992038530423382
Energy: 5.90440698362384
Energy: 11.293374320992038
Energy: 8.570528736733928
Energy: 0.6262668998817518
Energy: 0.6207288645544349
Energy: 8.570762531829105
Energy: 0.6256349233392668
Energy: 3.288364218450639
Energy: 5.913295951776777
Energy: 3.298914256495322
Energy: 3.3000151033514817
Energy: 5.913702605113907
Energy: 8.576691952310043
Energy: 3.303123314046141
Energy: 6.426979547084812
Energy: 5.913589190806603
Energy: 5.9096306947195
Energy: 3.2864254367700227
Energy: 5.911103764530482
Energy: 5.906015320798288
Energy: 5.924594618892995
Energy: 8.581403538838101
Energy: 8.57682309485214
Energy: 5.925324212155027
Energy: 8.580629363470429
Energy: 3.276656241509055
Energy: 5.90848805331969
Energy: 5.920978675447094
Energy: 5.921116567122484
Energy: 5.9096989252157925
Energy: 5.922140599194749
Energy: 5.921660072979734
Energy: 5.904701247330025
Energy: 8.574745113890891
Energy: 5.919817476342606
Energy: 5.904573802943267
Energy: 8.581533303720056
Energy: 5.919711467525806
Energy: 0.633134132388396
Energy: 3.2530438503870425
Energy: 3.265407032580253
Energy: 0.6280259996017733
Energy: 3.2504192486676304
Energy: 3.2614990867363587
Energy: 8.642283114402927
Energy: 3.2512865775788278
Energy: 3.2856543531900404
Energy: 8.640818323374097
Energy: 3.251288304343019
Energy: 3.3006696218636216
Energy: 5.910857201295141
Energy: 8.640861852448921
Energy: 5.932245247537232
Energy: 5.912070677017403
Energy: 8.641353564430828
Energy: 5.906957877608201
Energy: 5.9350914011387434
Energy: 8.639103015956366
Energy: 8.64053312553478
Energy: 5.875825321474339
Energy: 8.640000644678837
Energy: 5.875044979247993
Energy: 0.6331688568587988
Energy: 5.908902982665514
Energy: 5.909200474424617
Energy: 0.6258328777983992
Energy: 5.906793565824758
Energy: 5.9099015742717675
Energy: 3.3016492046889607
Energy: 5.909128712226749
Energy: 5.9092415490099075
Energy: 3.3026670409725045
Energy: 5.906895773767382
Energy: 8.572157342327305
Energy: 5.9026799687954
Energy: 3.2691275532561233
Energy: 3.2696975550845337
Energy: 5.903798168165908
Energy: 3.272177414423889
Energy: 5.901810960765618
Energy: 3.2799555010997232
Energy: 8.632783752460275
Energy: 8.631998482568426
Energy: 3.280861725768581
Energy: 5.994285429017027
Energy: 3.272034843650146
Energy: 12.265609984781081
Energy: 5.908005757268661
Energy: 5.922418067517297
Energy: 5.962762201492946
Energy: 5.905487182129571
Energy: 5.920218622037901
Energy: 0.6317579020578806
Energy: 5.907340806159737
Energy: 5.908527133197557
Energy: 5.991329121315988
Energy: 5.904695201585998
Energy: 11.29339127648587
Energy: 8.567775876394006
Energy: 0.6214231424508888
Energy: 0.6175552184230904
Energy: 8.567821718656434
Energy: 0.6256312786084706
Energy: 3.2855987981407706
Energy: 5.9170615335900125
Energy: 3.294264625630865
Energy: 3.2949008260485875
Energy: 5.918369392246359
Energy: 3.293296125860289
Energy: 0.6233537208369311
Energy: 6.430210830194037
Energy: 5.910827249986355
Energy: 5.906838143791142
Energy: 3.281427221864279
Energy: 5.914051020324872
Energy: 5.905358652127057
Energy: 0.6343695235514722
Energy: 5.911429828987079
Energy: 5.90556399072318
Energy: 3.275396115449943
Energy: 5.909109306248704
Energy: 8.57494523293899
Energy: 5.909728720127619
Energy: 5.919614424536064
Energy: 5.919574548722103
Energy: 5.904732133604288
Energy: 5.9204944070735674
Energy: 5.9207209582203975
Energy: 5.911639328915217
Energy: 5.919902047632397
Energy: 5.9226126087315825
Energy: 5.912358656959062
Energy: 5.919323054381373
Energy: 5.923988530718559
Energy: 0.6359055966869871
Energy: 3.2528963622238534
Energy: 3.2517360097326686
Energy: 0.6264041038011822
Energy: 3.2517595219787716
Energy: 3.261575394180612
Energy: 3.3813404058872996
Energy: 3.2507719487364093
Energy: 3.248945106588856
Energy: 3.380100486553906
Energy: 3.2507067849564977
Energy: 3.2611163411084956
Energy: 5.915989288421429
Energy: 8.6409754261623
Energy: 5.933664712534345
Energy: 5.915492016083316
Energy: 8.639818462993874
Energy: 5.93598289339474

minimum gb energy = 0.6147584810281582 eV
minimum distance =  0.00205812582017911 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014812815398022944
Energy: 10.999140676061613
Energy: 0.01545575117677968
Energy: 0.016589376128342617
Energy: 10.9995361534338
Energy: 0.015298418246744114
Energy: 10.998707179456964
Energy: 10.999581142748724
Energy: 11.004684729588615
Energy: 10.99902720765406
Energy: 10.999089202465122
Energy: 11.003116432660745
Energy: 0.8540693151116611
Energy: 32.56837354989491
Energy: 32.56197005636518
Energy: 0.6275582759312379
Energy: 32.56339130226205
Energy: 0.6284171207108673
Energy: 0.016078045909216732
Energy: 10.99959053232249
Energy: 11.000069856307922
Energy: 10.999025478894955
Energy: 10.999071225117692
Energy: 11.003117050525049

minimum gb energy = 0.014812815398022944 eV
minimum distance =  0.00357928071444315 Angstroms
sigma value = 1