Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61105090379715
cohesive_energy=4.158489038127336
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.96982810620398e-19, 2.73103824678372e-19, 3.31278858258912e-19, 3.7876256716077e-19, 4.1875610029867796e-19, 4.531275956278799e-19, 4.8332862517878e-19, 5.09801389702362e-19, 5.331066510205259e-19, 5.536802011777199e-19, 5.71855292913816e-19, 5.87872252723914e-19, 6.01944170100336e-19, 6.14245682296188e-19, 6.250363419261779e-19, 6.343738273491299e-19, 6.423270321603059e-19, 6.4899208695774605e-19, 6.544491005731499e-19, 6.587717731316819e-19, 6.620978918238659e-19, 6.64413037059996e-19, 6.657684784923599e-19, 6.662106792433439e-19, 6.65734832783046e-19, 6.6419033450787e-19, 6.614249776375859e-19, 6.5720324220699595e-19, 6.512159081257379e-19, 6.4312972265394e-19, 6.325393351031999e-19, 6.1899453383936395e-19, 6.0190571786112e-19, 5.80486218441174e-19, 5.538179883682439e-19, 5.209749695478779e-19, 4.80446309414214e-19, 4.3029337424011196e-19, 3.6815615784368996e-19, 2.9096328761756996e-19, 1.9480064604489e-19, 7.435653693094979e-20, -7.779961451741579e-20, -2.71786835485224e-19, -5.21526118309974e-19, -8.47769335408224e-19, -1.28073994680375e-18, -1.86748106282406e-18, -2.6827806865676394e-18, -3.85257791235006e-18, -5.6004564894460195e-18, -8.35557545103876e-18, -1.30373919238482e-17, -2.19099256876134e-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: 0.01818406563548703
Energy: 0.024913012309034487
Energy: 0.1877868328802354
Energy: 0.18662518589701033
Energy: 0.024020734742730053
Energy: 0.02039090099804572
Energy: 0.1872220044808364
Energy: 0.18911424860174356
Energy: 0.18587601342151155
Energy: 0.025226636050297832
Energy: 0.019415270459528036
Energy: 0.19392453937733406
Energy: 0.18752203769599962
Energy: 0.18867935519706563
Energy: 0.1879303798449233
Energy: 0.18458377986153013
Energy: 0.19353327185591912
Energy: 0.1872030934358773
Energy: 0.18992381464311056
Energy: 0.18694148493765655
Energy: 0.1876475047941718
Energy: 0.024298654207382118
Energy: 0.018807959572497708
Energy: 0.1849088450685424
Energy: 0.18664718260463037
Energy: 0.18701495386076805
Energy: 0.022897318160818993
Energy: 0.018759800695033614
Energy: 0.18418338293811137
Energy: 0.18811644971179284
Energy: 0.18695517390814168
Energy: 0.020578148678804586
Energy: 0.020344782066009523
Energy: 0.19107017776852347
Energy: 0.18433375803180338
Energy: 0.18766103891657393
Energy: 0.021462460092683634
Energy: 0.019373009078974747
Energy: 0.1863305263217086
Energy: 0.18388165604806495
Energy: 0.18611936001549617
Energy: 0.18547309825789757
Energy: 0.18899522856873105
Energy: 0.021242424640481303
Energy: 0.0192959315744658
Energy: 0.1851341268801328
Energy: 0.1863647471616068
Energy: 0.18848387885758272
Energy: 0.022959700448019635
Energy: 0.18989450752964324
Energy: 0.18859160748282258
Energy: 0.18480169432058588
Energy: 0.1858787450145591
Energy: 0.019786106242862974
Energy: 0.01913220164051639
Energy: 0.18994223391938211
Energy: 0.1841162944750961
Energy: 0.1867188628649113
Energy: 0.020608075999845342
Energy: 0.01927356299513482
Energy: 0.019267434280981155
Energy: 0.18988811257184218
Energy: 0.18660205164380098
Energy: 0.18927918162492854
Energy: 0.19123368246124112
Energy: 0.019372824024950254
Energy: 0.1912252005607197
Energy: 0.18576847316193226
Energy: 0.19037747546253825
Energy: 0.18972692440425903

minimum gb energy = 0.01818406563548703 eV
minimum distance =  2.51563463216811 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.4871128918164191
Energy: 1.4124751126257076
Energy: 1.4653810935766793
Energy: 1.3473704933081327
Energy: 1.3430156122133452
Energy: 1.346646348902678
Energy: 1.3432469813466472
Energy: 1.3510213055274762
Energy: 1.3490607427859915
Energy: 1.4118296848146537
Energy: 1.3750238712024732
Energy: 1.5086221254065253
Energy: 1.3520946378082765
Energy: 1.3485380869844588
Energy: 1.2885934035280555
Energy: 1.2821785247514574
Energy: 1.3504523903145789
Energy: 1.3477087270812915
Energy: 1.1924051261078472
Energy: 1.2895757127315661
Energy: 1.2915403728292851
Energy: 1.5578132401779987
Energy: 1.2275993746590466
Energy: 1.2837204612582307
Energy: 1.2878718689682027
Energy: 1.2843023586666413
Energy: 1.5578979740275603
Energy: 1.2289143204206716
Energy: 1.2841118643607126
Energy: 1.473052748734322
Energy: 1.4726990028117717
Energy: 1.464287421355052
Energy: 1.5596335858566694
Energy: 1.283275774612265
Energy: 1.3187299578196032
Energy: 1.2845222776364404
Energy: 1.3455140259521798
Energy: 1.2289856234783056
Energy: 1.3596609329232334
Energy: 1.4735460305137715
Energy: 1.4284958408504025
Energy: 1.4208155153123407
Energy: 1.5271068258144618
Energy: 1.6286700214263636
Energy: 1.4233739192340236
Energy: 1.4276730920304526
Energy: 1.417926552517427
Energy: 1.526608761098773
Energy: 1.4476216755246207
Energy: 1.42604414301898
Energy: 1.5674485350335372
Energy: 1.4141711110693864
Energy: 1.5979173607870223
Energy: 1.4344812061439456
Energy: 1.6258812129909102
Energy: 1.568896645700094
Energy: 1.4724856154710304
Energy: 1.6485364804002955
Energy: 1.4357853846271387
Energy: 1.6497854917047459
Energy: 1.521867520910054
Energy: 1.3509670495962518
Energy: 1.5313792797292338
Energy: 1.4240282058388565
Energy: 1.5137234479311235
Energy: 1.5020783618638103
Energy: 1.456544362071563
Energy: 1.3445760732705463
Energy: 1.4261466141000834
Energy: 1.5055371914062396
Energy: 1.5064356775849181
Energy: 1.5139274265689342
Energy: 1.4698506763751686
Energy: 1.5075000690341407
Energy: 1.512164945777645
Energy: 1.5166948840034868
Energy: 1.5089663129558946
Energy: 1.6054546041326252
Energy: 1.502943777398832
Energy: 1.5056511243514519
Energy: 1.514939133897766
Energy: 1.3523899640627672
Energy: 1.4231309664656047
Energy: 1.347669504197903
Energy: 1.5124872418981998
Energy: 1.5144846244130263
Energy: 1.3468508978548124
Energy: 1.4234097452637742
Energy: 1.2601248828226803
Energy: 1.506020360018087
Energy: 1.563128173588067
Energy: 1.4438408488265115
Energy: 1.4325666399974522
Energy: 1.440834241201305
Energy: 1.2306965336181825
Energy: 1.459523349444846
Energy: 1.4459514842231276
Energy: 1.4326545341581738
Energy: 1.452005504505741
Energy: 1.2419655820332276
Energy: 1.2625550073365164
Energy: 1.4353810511069711
Energy: 1.440040028511993
Energy: 1.4824370352897567
Energy: 1.2305009940388845
Energy: 1.4027123562244153
Energy: 1.433279955102415
Energy: 1.444714736641347
Energy: 1.2774133193040806
Energy: 1.2420117390502037
Energy: 1.656744942507663
Energy: 1.4274629820603582
Energy: 1.71298205501032
Energy: 1.5058667833861819
Energy: 1.5000538886426542
Energy: 1.6265690007147875
Energy: 1.4212731534869307
Energy: 1.5277926487849904
Energy: 1.5180057182587652
Energy: 1.5065651097891963
Energy: 1.6102936269135417
Energy: 1.6291038431119336
Energy: 1.6268517243680019
Energy: 1.4153215982308842
Energy: 1.56894100785346
Energy: 1.6097391664815537
Energy: 1.4371806417148718
Energy: 1.6284630956660144
Energy: 1.4218473914686052
Energy: 1.5679621190073203
Energy: 1.4159276385039634
Energy: 1.433771808996111
Energy: 1.5077259193659398
Energy: 1.5071432515915641
Energy: 1.4140927496171336
Energy: 1.4127357394957623
Energy: 1.434524975580778
Energy: 1.5168236587787538
Energy: 1.5089825548591729
Energy: 1.5527020859790246
Energy: 1.5027207217054148
Energy: 1.505304782220937
Energy: 1.5082598854011977
Energy: 1.5083197832991755
Energy: 1.5049647528911116
Energy: 1.5215285792318445
Energy: 1.5053620595015138
Energy: 1.5084590378641463
Energy: 1.5089462037525019
Energy: 1.5056663165557445
Energy: 1.4149458916403013
Energy: 1.5161414297530131
Energy: 1.5080416463755975
Energy: 1.5084230215103231
Energy: 1.4323800685611476
Energy: 1.4332369054813765
Energy: 1.5168102944656887
Energy: 1.5089828864902977
Energy: 1.5091446861172177
Energy: 1.4320985097756294
Energy: 1.4239581542097157
Energy: 1.4079318153573093
Energy: 1.228059985957738
Energy: 1.4601831401675023
Energy: 1.4448713351808178
Energy: 1.447140488743563
Energy: 1.351260954416571
Energy: 1.2294508822160661
Energy: 1.4923892061308621
Energy: 1.445166938179657
Energy: 1.4836227410573715
Energy: 1.2309716717311396
Energy: 1.2279637533651524
Energy: 1.4492538939655564
Energy: 1.3915242519647826
Energy: 1.4956145093370095
Energy: 1.2368422873812892
Energy: 1.2279353468052172
Energy: 1.4477408262449043
Energy: 1.3991875416252832
Energy: 1.407175878238078
Energy: 1.5202665498325494
Energy: 1.6529968602741494
Energy: 1.4453986076264624
Energy: 1.4252741210518327
Energy: 1.5103758703536008
Energy: 1.5093177712484744
Energy: 1.632415269168927
Energy: 1.4445738373749055
Energy: 1.4266425035066692
Energy: 1.5674445403497659
Energy: 1.563914715985937
Energy: 1.6140123758839593
Energy: 1.437704003187635
Energy: 1.625963405732909
Energy: 1.5689193260819168
Energy: 1.563397028144077
Energy: 1.6144435287789438
Energy: 1.551828243225005
Energy: 1.6185088520229727
Energy: 1.511874436552984
Energy: 1.5043960248975967
Energy: 1.6261878870119988
Energy: 1.4250547696667766
Energy: 1.5082696573254648
Energy: 1.5089136969459724
Energy: 1.3458463828506169
Energy: 1.4381384206131356
Energy: 1.426198602666827
Energy: 1.512675813406777
Energy: 1.5245819639710756
Energy: 1.507445626129994
Energy: 1.6452519852973475
Energy: 1.3865057766692197
Energy: 1.5061771118855505
Energy: 1.504394612745366
Energy: 1.514744455296986
Energy: 1.314718085856591
Energy: 1.5080085474724916
Energy: 1.5128595133983755
Energy: 1.516286303729425
Energy: 1.508229614341001
Energy: 1.4234166034244864
Energy: 1.2608709436328631
Energy: 1.5070092358868603
Energy: 1.5136195226626932
Energy: 1.3525560652104183
Energy: 1.4224950848017524
Energy: 1.4779552246696066
Energy: 1.5120651160973217
Energy: 1.2252532487148842
Energy: 1.4498345686032594
Energy: 1.4306162225840597
Energy: 1.347013534923033
Energy: 1.241346897035708
Energy: 1.327128166002683
Energy: 1.4476547304464324
Energy: 1.4305276704835348
Energy: 1.438910418037235
Energy: 1.2416558201006958
Energy: 1.3422727174511702
Energy: 1.435717768727067
Energy: 1.4382130378803937
Energy: 1.3535482148575826
Energy: 1.2414468039417246
Energy: 1.3411298940062375
Energy: 1.4336561571062907
Energy: 1.4398574803903414
Energy: 1.3540020510422341
Energy: 1.2417384668307188
Energy: 1.526319797722094
Energy: 1.4275173109833204
Energy: 1.3113137242816446
Energy: 1.515639322617481
Energy: 1.4561363195315133
Energy: 1.2893790505045137
Energy: 1.2847123575505168
Energy: 1.4467953472451682
Energy: 1.5080054147649509
Energy: 1.455429715489039
Energy: 1.5297849841848987
Energy: 1.560766553164556
Energy: 1.5272596736223842
Energy: 1.563775833493583
Energy: 1.5684879729952856
Energy: 1.4737803157144513
Energy: 1.287358694414161
Energy: 1.4715148630777544
Energy: 1.563902379320499
Energy: 1.5673359715524684
Energy: 1.4911369890573247
Energy: 1.4878232700701735
Energy: 1.4647181187342813
Energy: 1.3491805216794794
Energy: 1.3498479419800762
Energy: 1.2817761067804498
Energy: 1.2882347153922893
Energy: 1.4645959733553942
Energy: 1.3488564820922258
Energy: 1.3820380250567195
Energy: 1.408945306078959
Energy: 1.343653988350598
Energy: 1.4652681279421256
Energy: 1.3478498850524774
Energy: 1.3433901578299823
Energy: 1.347337435548479
Energy: 1.3433237944061829
Energy: 1.351022255608946
Energy: 1.3490350687536008
Energy: 1.407793658636314

minimum gb energy = 1.1924051261078472 eV
minimum distance =  2.25458391290575 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 3.8971726105912166
Energy: 1.8270117449437973
Energy: 1.8412575768605584
Energy: 1.7888534303995542
Energy: 1.782345383894116
Energy: 1.8003087225767518
Energy: 1.7890685460876354
Energy: 1.5967767184859645
Energy: 1.841383819519329
Energy: 1.7872041100393152
Energy: 1.661692980858795
Energy: 1.896323731300559
Energy: 1.6337297746482218
Energy: 1.5604196937113313
Energy: 1.6252757569306246
Energy: 1.628121227138747
Energy: 1.927111644949215
Energy: 1.592991877079616
Energy: 1.622065776295834
Energy: 1.6373032559146727
Energy: 1.6419611182788008
Energy: 1.919692693169291
Energy: 1.8887328285520006
Energy: 1.6169967127457558
Energy: 1.679317434709497
Energy: 1.5978191528812564
Energy: 1.9195375355668627
Energy: 1.888244382663726
Energy: 1.778596157547865
Energy: 1.637439754682314
Energy: 1.5971063302261568
Energy: 1.5881012701852233
Energy: 1.6858035026870288
Energy: 1.5981813843683774
Energy: 1.611792827806331
Energy: 1.5580665817194235
Energy: 1.5969301121304138
Energy: 1.6108637996393704
Energy: 1.6524369493317277
Energy: 1.6209921054449015
Energy: 2.002203848178999
Energy: 1.536048225725855
Energy: 1.9214623318485067
Energy: 1.9927429015042686
Energy: 1.9260987319636913
Energy: 1.817679622016114
Energy: 1.590755551603233
Energy: 1.7855150050125363
Energy: 1.9596613154111064
Energy: 1.974647382758547
Energy: 1.8576561626704537
Energy: 1.8457256452282584
Energy: 1.915980035755304
Energy: 1.810399681924908
Energy: 1.925154025824135
Energy: 1.8508365526563875
Energy: 1.869933771669037
Energy: 1.9245187302050617
Energy: 1.7501859461903033
Energy: 2.0015405776265442
Energy: 1.7716907815039185
Energy: 1.7864624266711937
Energy: 1.9185323210888363
Energy: 1.6523199159111917
Energy: 1.6759336401193867
Energy: 1.6556672473163914
Energy: 1.6945033883771585
Energy: 1.9069633286695908
Energy: 1.6828521768404625
Energy: 1.7690268161649916
Energy: 1.6187186513024536
Energy: 1.6855141779000515
Energy: 1.9185901635627463
Energy: 1.904698905245043
Energy: 1.6443007036241795
Energy: 1.5654436431849155
Energy: 1.652155667623654
Energy: 1.9184647878048553
Energy: 1.9047674709955575
Energy: 1.5868096368392341
Energy: 1.6196723649171478
Energy: 1.7401620651282657
Energy: 1.5322656649753135
Energy: 1.753330554631153
Energy: 1.6691592243611941
Energy: 1.7042393506904316
Energy: 1.7556233671201902
Energy: 1.6323177215773947
Energy: 1.5634777861857876
Energy: 1.6690796542856168
Energy: 1.8943500596699416
Energy: 1.8416677029821638
Energy: 1.5771584436269235
Energy: 1.8587552591697099
Energy: 1.930532042873438
Energy: 1.8677173144312178
Energy: 1.8304539903133128
Energy: 1.5348523014711544
Energy: 1.8392836253158331
Energy: 1.9815221107770642
Energy: 1.922160517299127
Energy: 1.8549510887766916
Energy: 1.8223737334514785
Energy: 1.91780075835684
Energy: 1.8107446795409659
Energy: 1.8924120576352716
Energy: 1.8281624718601817
Energy: 1.8314477908471665
Energy: 1.924353875527567
Energy: 2.023155720132151
Energy: 1.6512292177809973
Energy: 1.5874027552645549
Energy: 1.6361325525173465
Energy: 1.7965585474194683
Energy: 1.6435121389747764
Energy: 1.5369697910692868
Energy: 1.5280517352452476
Energy: 1.661208130500765
Energy: 1.7634094844650667
Energy: 1.646354191839723
Energy: 1.5966138170838315
Energy: 1.6620101377248495
Energy: 1.5365007535317785
Energy: 1.8890039874380442
Energy: 1.6295094793282687
Energy: 1.6358354927833347
Energy: 1.674850506741589
Energy: 1.6846825430843033
Energy: 1.8801218871781291
Energy: 1.5232019990094041
Energy: 1.5326587267023943
Energy: 1.5557499430130024
Energy: 1.6034239769492507
Energy: 1.622037188823227
Energy: 1.8400017649265135
Energy: 1.7024641580731705
Energy: 1.5608376656851697
Energy: 1.6085479954397603
Energy: 1.6658489984296683
Energy: 1.830473313935963
Energy: 1.8737227661261686
Energy: 1.8304566886234772
Energy: 1.8460766880103452
Energy: 1.8350917255172468
Energy: 1.8793838641673954
Energy: 1.9686684892334019
Energy: 1.8516230076948488
Energy: 1.8522862431519114
Energy: 1.8318702462545553
Energy: 1.8823373308691005
Energy: 1.9248833759971535
Energy: 1.9141278067201353
Energy: 1.5961314152804704
Energy: 1.8501446069004157
Energy: 1.58495390133707
Energy: 1.8861898318704158
Energy: 1.8918758126900304
Energy: 1.5703788891526362
Energy: 1.8532926107284329
Energy: 1.5494660842989934
Energy: 1.639564010530712
Energy: 1.6832800862857766
Energy: 1.5160933612549357
Energy: 1.7981117310944832
Energy: 1.6684344969619014
Energy: 1.6241462788024408
Energy: 1.5517456345361407
Energy: 1.6587516725938876
Energy: 1.6007633589265142
Energy: 1.6287047653000528
Energy: 1.6043514708778237
Energy: 1.7241423403882576
Energy: 1.7058742940127047
Energy: 1.6721565454878642
Energy: 1.6107414892991727
Energy: 1.6093832834346151
Energy: 1.7265931693723569
Energy: 1.7058425170074598
Energy: 1.5950089821460098
Energy: 1.6776423744459261
Energy: 1.902042511769329
Energy: 1.4811210006526379
Energy: 1.6370247121906107
Energy: 1.9127626223741845
Energy: 1.5804741763023795
Energy: 1.9039889877182308
Energy: 1.5561104117173266
Energy: 1.624452282632356
Energy: 1.8527192053378336
Energy: 1.5838709252357477
Energy: 1.8366994455402423
Energy: 1.9672156802409002
Energy: 1.8842067555954516
Energy: 1.8320212748916342
Energy: 1.826977750077961
Energy: 1.8618583360337269
Energy: 1.9062784955309788
Energy: 1.8937087085745632
Energy: 1.8443286365823626
Energy: 1.8326675704812765
Energy: 1.6912655673298482
Energy: 1.928300487845266
Energy: 1.6153056303276438
Energy: 1.4885423035977488
Energy: 1.8361636163832142
Energy: 1.6692133420758293
Energy: 2.0114121553144817
Energy: 1.6495040284775222
Energy: 1.5439650164460297
Energy: 1.8950977839329297
Energy: 1.5335445546344235
Energy: 1.538740955392937
Energy: 1.567331218147412
Energy: 1.6451126939122833
Energy: 1.7759368777067088
Energy: 1.5571152727374336
Energy: 1.6530958627124126
Energy: 1.7094471771655646
Energy: 1.5294980147271926
Energy: 1.6784983978108605
Energy: 1.666418108633247
Energy: 1.6332265707419842
Energy: 1.705466674821008
Energy: 1.7268736639020676
Energy: 1.6514993495162962
Energy: 1.7532877175098485
Energy: 1.6373392126055286
Energy: 1.7054767356881964
Energy: 1.7238028157079317
Energy: 1.7991407800897448
Energy: 1.5970083198513632
Energy: 1.991880927741679
Energy: 1.6088856099537046
Energy: 1.567193610568114
Energy: 2.002690052355725
Energy: 1.5679329044810761
Energy: 1.962511170707606
Energy: 1.5108599804893308
Energy: 1.7339677406283427
Energy: 2.021152847198539
Energy: 1.8465224953687824
Energy: 1.9517214701749117
Energy: 1.9294872302311545
Energy: 1.8982667322833966
Energy: 1.8502038684743838
Energy: 1.8579222562093969
Energy: 1.9330298131397137
Energy: 1.9838331459175953
Energy: 1.807932124824986
Energy: 1.8424656420386598
Energy: 1.941259487862197
Energy: 1.6617408409031063
Energy: 1.9162074385996184
Energy: 1.6630313455392358
Energy: 1.5863041148593244
Energy: 1.8087988550796397
Energy: 1.707303360501376
Energy: 1.7529042935692765
Energy: 1.6414115572526475
Energy: 1.702289535973581
Energy: 1.6321396004856497
Energy: 1.554074492371594
Energy: 1.7611385526267391
Energy: 1.6208510930130677
Energy: 1.637776588823118
Energy: 1.6598155123871978
Energy: 1.608369097033863
Energy: 1.6716805870425506
Energy: 1.5743129832044966
Energy: 1.6593750577756694
Energy: 1.7877273765080437
Energy: 1.920366215922597
Energy: 1.6595993509707971
Energy: 1.6753636601357325
Energy: 1.639456794024303
Energy: 1.8828753109521879
Energy: 1.9229116233067578
Energy: 1.7093001174974616
Energy: 1.6751797305581673
Energy: 1.5676806105508732
Energy: 1.8843699526384678
Energy: 1.951724021363168
Energy: 2.0061482179093897
Energy: 1.6248905617084088
Energy: 1.9442391395385512
Energy: 1.5640453696257866
Energy: 1.8490107721020606
Energy: 1.907811831930503
Energy: 1.7101258590372854
Energy: 1.8512897053589452
Energy: 1.8684645182242032
Energy: 1.942345851198957
Energy: 1.9484992802233865
Energy: 1.859335591122049
Energy: 1.8418501013335158
Energy: 1.84864626019279
Energy: 1.8599255510414532
Energy: 1.7294571104668683
Energy: 1.982366214710872
Energy: 1.8293154943093624
Energy: 1.7020595241068794
Energy: 1.931479503120452
Energy: 1.6742473352027853
Energy: 1.6356916038244855
Energy: 1.5876810056856323
Energy: 1.7437364502951316
Energy: 1.87969796130366
Energy: 1.6689776706578094
Energy: 1.7964051698015642
Energy: 1.715547852000006
Energy: 1.8046562951147915
Energy: 1.9195380767793468
Energy: 1.888646041797621
Energy: 1.7150554508859601
Energy: 1.6075550801750083
Energy: 1.685994517075785
Energy: 1.9194537914115055
Energy: 1.8885891959278307
Energy: 1.6724830700160762
Energy: 1.6817574185279962
Energy: 1.663828553940946
Energy: 1.7184359657673343
Energy: 1.618107547904763
Energy: 1.6839072182236423
Energy: 1.6119634920167603
Energy: 1.6083817933714846
Energy: 1.6316353297517343
Energy: 1.7076733245626883
Energy: 1.762442401899121
Energy: 1.6820957988769307
Energy: 1.951100068689535
Energy: 1.5634453508705861
Energy: 1.8487971583138008
Energy: 1.9710855406343246
Energy: 1.9118127624866863
Energy: 1.7374350795751439
Energy: 1.5609422582740378
Energy: 1.8522240024642176
Energy: 1.936442890370128
Energy: 1.9117917123292734
Energy: 1.8383462123724383
Energy: 1.8509897543332252
Energy: 1.8073051118485641
Energy: 1.7392346190595218
Energy: 1.9330840800690385
Energy: 1.858074221451181
Energy: 1.8340579669090615
Energy: 1.8718302806972542
Energy: 1.7142682358011225
Energy: 1.9151675166830844
Energy: 1.5963549771163763
Energy: 1.791455989289689
Energy: 1.9085962244696877
Energy: 1.6860381082517946
Energy: 1.63598970183606
Energy: 1.5790029255135782
Energy: 1.6765834210421313
Energy: 1.8541140429681524
Energy: 1.6012836100984609
Energy: 1.7316090074933035
Energy: 1.658222787913861
Energy: 1.627596295882759
Energy: 1.9185234465758667
Energy: 1.9052778437622933
Energy: 1.6137191803940052
Energy: 1.6122643914728987
Energy: 1.6363394818222197
Energy: 1.9182760951825182
Energy: 1.9053164195378625
Energy: 1.6403605544643824
Energy: 1.6248527800825867
Energy: 1.6492066683808677
Energy: 1.6121386604138621
Energy: 1.962291747202967
Energy: 1.6688067116334597
Energy: 1.6845864120101044
Energy: 1.6197951958489631
Energy: 1.5905755879397483
Energy: 1.5697629412185081
Energy: 1.7659698116019242
Energy: 1.934417393656186
Energy: 1.8430237085126233
Energy: 1.5757089813119736
Energy: 1.9146725928391588
Energy: 2.0000575562778407
Energy: 1.9279188485646688
Energy: 1.8317823195591676
Energy: 1.5215709087409321
Energy: 1.9020646470343654
Energy: 1.967457818854641
Energy: 1.836717203648794
Energy: 1.8262052209764152
Energy: 1.8314517235435523
Energy: 1.8930859441235917
Energy: 1.7477480392298161
Energy: 1.9045665727265664
Energy: 1.8324922230836171
Energy: 1.8241314079983038
Energy: 1.9451389026494699
Energy: 2.0485897551809096
Energy: 1.6700102712885831
Energy: 1.7245326684547166
Energy: 1.597451139116753
Energy: 1.7771051761969359
Energy: 1.5191414270008023
Energy: 1.6452895402207606
Energy: 1.5276228265243343
Energy: 1.7259633283121372
Energy: 1.8026252700524366
Energy: 1.901667983733298
Energy: 1.581233924465783
Energy: 1.6616260726853043
Energy: 1.6181088376172792
Energy: 1.8888366629164994
Energy: 1.6181104920253808
Energy: 1.6767576884136062
Energy: 1.6750849650369857
Energy: 1.6756347140929173
Energy: 1.8752901749114244
Energy: 1.6055231516103248
Energy: 1.6037204221034838
Energy: 1.5866100580763083
Energy: 1.6060802120314217
Energy: 1.5937187283407928
Energy: 1.8839310705355603
Energy: 1.676235768977397
Energy: 1.560156120422638
Energy: 1.6272883137304064
Energy: 1.6517271959825077
Energy: 1.9313705704830255
Energy: 1.927973160657347
Energy: 1.8242134243005683
Energy: 1.853295595109246
Energy: 1.8318962548887927
Energy: 1.8587187172920194
Energy: 1.9724619299573185
Energy: 1.8178747071411183
Energy: 1.8389626654816609
Energy: 1.8367000254625083
Energy: 1.8842513195513826
Energy: 1.8660207577948698
Energy: 1.8554218719179991
Energy: 1.5847371276343996
Energy: 1.838256900318197
Energy: 1.6010923658119267
Energy: 1.8570921969590541
Energy: 1.8652306396786507
Energy: 1.5719474204440187
Energy: 1.8499422343600254
Energy: 1.5965812351221593
Energy: 1.6618706467414037
Energy: 1.598581063997758
Energy: 1.5191953366195958
Energy: 1.6105908722920073
Energy: 1.6790331791459692
Energy: 1.7118780461206802
Energy: 1.6433673770124972
Energy: 1.5864879005153856
Energy: 1.5382059984987617
Energy: 1.6152257039201452
Energy: 1.6130656969335107
Energy: 1.7240151175870833
Energy: 1.7057098347096438
Energy: 1.615690442591643
Energy: 1.5542324765695514
Energy: 1.547312248151081
Energy: 1.7264698694997864
Energy: 1.7057732856535779
Energy: 1.621195058360675
Energy: 1.6784586105766996
Energy: 1.8745113285498742
Energy: 1.604594501995079
Energy: 1.595472670619471
Energy: 1.8297673031925865
Energy: 1.528951506277701
Energy: 1.7235121539976375
Energy: 1.5813536726525967
Energy: 1.6764482224475445
Energy: 2.02008368392307
Energy: 1.644328606190631
Energy: 1.9213076466119545
Energy: 1.861172101048699
Energy: 1.8677336621280165
Energy: 1.8283703849402644
Energy: 1.8261507693356156
Energy: 1.91562849263328
Energy: 1.9081337499513533
Energy: 1.852874287478801
Energy: 1.848403063900978
Energy: 1.844240711424323
Energy: 1.661547474683481
Energy: 1.9511809839665264
Energy: 1.6445554111428284
Energy: 1.5004799176482633
Energy: 1.8446805332801426
Energy: 1.641927994760234
Energy: 1.9356129009505447
Energy: 1.6395924857500395
Energy: 1.5444144540775402
Energy: 1.8969573560229283
Energy: 1.5337911674655558
Energy: 1.7298908933954624
Energy: 1.6527468410758885
Energy: 1.499916072589665
Energy: 1.5724172780676782
Energy: 1.5570584777908363
Energy: 1.7087895475384969
Energy: 1.6287045057437506
Energy: 1.5365347244891707
Energy: 1.7392860087695479
Energy: 1.666194105560061
Energy: 1.631570442950884
Energy: 1.7053855650205907
Energy: 1.7270141402304975
Energy: 1.6862097199527228
Energy: 1.7249104898920653
Energy: 1.6008589969146136
Energy: 1.7055041379323088
Energy: 1.7240207479550316
Energy: 1.7195329173258116
Energy: 1.72128332371162
Energy: 2.0273956356162666
Energy: 1.6061013131311053
Energy: 1.7038122186604836
Energy: 1.9264300903026634
Energy: 1.5415657761054413
Energy: 2.0054798404545733
Energy: 1.5553815574292527
Energy: 1.6682209575214983
Energy: 2.0203339015629083
Energy: 1.8581152973943769
Energy: 1.919549676718097
Energy: 1.9950400455138961
Energy: 1.8927683161775963
Energy: 1.8334204858092669
Energy: 1.8509251814038092
Energy: 1.931773754407318
Energy: 1.952084988127741
Energy: 1.8221494659532418
Energy: 1.8573392740291725
Energy: 1.870885041924434
Energy: 1.7676049328413104
Energy: 1.9667870632480648
Energy: 1.6280041863747448
Energy: 1.5633800416081454
Energy: 1.876819934681187
Energy: 1.6761732566989636
Energy: 1.7777736371455002
Energy: 1.7205725873331512
Energy: 1.7230691725359601
Energy: 1.7107304143658597
Energy: 1.5539743948184375
Energy: 1.580075915104982
Energy: 1.6187057601637056
Energy: 1.5573978080490758
Energy: 1.7296283109139015
Energy: 1.6078699765847388
Energy: 1.6599450724569127
Energy: 1.8235973230450493
Energy: 1.6308983504382428
Energy: 1.6334153872705734
Energy: 1.753484447449518
Energy: 1.6334641340447393
Energy: 1.6751068415131825
Energy: 1.617002001038801
Energy: 1.5980891022947665
Energy: 1.9225879842551634
Energy: 1.6699669815240314
Energy: 1.6624195133198791
Energy: 1.614601971153775
Energy: 1.8672046128141955
Energy: 1.8329062265208507
Energy: 1.9709550766244335
Energy: 1.5402847238990642
Energy: 1.8942801598223526
Energy: 1.5146466910323255
Energy: 1.829500998451654
Energy: 1.8403962842571022
Energy: 1.6287994410233897
Energy: 2.025666894872813

minimum gb energy = 1.4811210006526379 eV
minimum distance =  2.26943077354305 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

Energy: 1.801208654252759
Energy: 1.600122802140048
Energy: 1.5475873313687316
Energy: 1.5485043123604239
Energy: 1.6774095614193298
Energy: 1.6726474752942553
Energy: 1.5465214972213552
Energy: 1.549080357156458
Energy: 1.5473752273963537
Energy: 1.706647581159414
Energy: 1.6889065088400046
Energy: 1.775001973578158
Energy: 1.5490733626962825
Energy: 1.5484512459974167
Energy: 1.6507608353487382
Energy: 1.793646686957358
Energy: 1.7203202942455298
Energy: 1.5486968688407268
Energy: 1.5503542764496996
Energy: 1.702689481027034
Energy: 1.82171048485457
Energy: 1.8218471196176251
Energy: 1.820048944030985
Energy: 1.8679150401425126
Energy: 1.8824381909055639
Energy: 1.871396318633314
Energy: 1.8044331843667003
Energy: 1.8197430331668114
Energy: 1.8486228756392775
Energy: 1.8970647111098868
Energy: 1.8723661354417218
Energy: 1.549850929314972
Energy: 1.7432095744086886
Energy: 1.8748447356428148
Energy: 1.6827025039577992
Energy: 1.8523513425348745
Energy: 1.5582981942909253
Energy: 1.698992529413488
Energy: 1.8453009478822118
Energy: 1.85447791831164
Energy: 1.8703371786361394
Energy: 1.695856317733241
Energy: 1.6987548518844213
Energy: 1.6935750376875198
Energy: 1.603179131023768
Energy: 1.7250087894326593
Energy: 1.7182866655823528
Energy: 1.6192897570697207
Energy: 1.7086755367287287
Energy: 1.69251478658673
Energy: 1.6321830280883853
Energy: 1.7791160277801032
Energy: 1.6027426597002692
Energy: 1.6979303828370893
Energy: 1.6033925487444443
Energy: 1.761025636093306
Energy: 1.7095250213187627
Energy: 1.7135327584692026
Energy: 1.7136433085944471
Energy: 1.712987805247642
Energy: 1.7654992237640887
Energy: 1.7427648165965852
Energy: 1.8993353590384803
Energy: 1.6023792750531687
Energy: 1.692510988754779
Energy: 1.5601446055939645
Energy: 1.782142655921755
Energy: 1.894604169442955
Energy: 1.7072388382463786
Energy: 1.7082921128931454
Energy: 1.8413529874912693
Energy: 1.8725362808341364
Energy: 1.8917931279765894
Energy: 1.8739436728023664
Energy: 1.7964520257029817
Energy: 1.6780424842058144
Energy: 1.8019691901046646
Energy: 1.8823579099165209
Energy: 1.8013712717604489
Energy: 1.8366388794984834
Energy: 1.6962315080216832
Energy: 1.8013359248931158
Energy: 1.6026480352200474
Energy: 1.8990766462405162
Energy: 1.868240553532626
Energy: 1.8810088997090122
Energy: 1.813914814308486
Energy: 1.6673399950390784
Energy: 1.8953739847404765
Energy: 1.8405787266417737
Energy: 1.6514481945701287
Energy: 1.7893073849621115
Energy: 1.6372417561679729
Energy: 1.7199868599164834
Energy: 1.718579141277258
Energy: 1.559745251681112
Energy: 1.6833038361609693
Energy: 1.63743437482644
Energy: 1.731315882453801
Energy: 1.7307578037943672
Energy: 1.71826334650559
Energy: 1.7601443399105152
Energy: 1.8828131472204703
Energy: 1.5600922761683835
Energy: 1.615913141821128
Energy: 1.5602182587055633
Energy: 1.8518798143075397
Energy: 1.8755973965501012
Energy: 1.685305514833974
Energy: 1.6168801643150943
Energy: 1.731332937360885
Energy: 1.6983642154760643
Energy: 1.7627908459851598
Energy: 1.7566991175820263
Energy: 1.6516832721585986
Energy: 1.7185401880541928
Energy: 1.67569937034827
Energy: 1.7310222914256197
Energy: 1.7484668437080533
Energy: 1.6454840636391292
Energy: 1.7246569482293397
Energy: 1.600329085070128
Energy: 1.7490601224303977
Energy: 1.7596020656769933
Energy: 1.7583504307977362
Energy: 1.8507189426890969
Energy: 1.8617235504144491
Energy: 1.7040074096172182
Energy: 1.707571458296542
Energy: 1.7041143308116662
Energy: 1.8003226117257107
Energy: 1.7071816576050456
Energy: 1.7041101946325514
Energy: 1.7045169478556808
Energy: 1.7552738004801682
Energy: 1.8049364730735622
Energy: 1.70706558676559
Energy: 1.7121189156978167
Energy: 1.663478883399382
Energy: 1.7475543982882629
Energy: 1.7945048955343066
Energy: 1.785034629639964
Energy: 1.8841275351676956
Energy: 1.7047956229307721
Energy: 1.7609219403229532
Energy: 1.7317351407625814
Energy: 1.7178498179521742
Energy: 1.8844248715888845
Energy: 1.820150326366415
Energy: 1.7909584185230834
Energy: 1.721836783853862
Energy: 1.7747261470006175
Energy: 1.6405436008222845
Energy: 1.8748374164998063
Energy: 1.7633600133670804
Energy: 1.7296821109073863
Energy: 1.7561192443032647
Energy: 1.639806522749393
Energy: 1.6730585571394347
Energy: 1.772545240202702
Energy: 1.624017518325088
Energy: 1.7991664641921647
Energy: 1.7044976008995847
Energy: 1.6210838421844465
Energy: 1.6701028635085826
Energy: 1.6288771013003362
Energy: 1.8047867012297443
Energy: 1.6555358641704665
Energy: 1.6236862885934453
Energy: 1.6249571753388596
Energy: 1.6237883804372006
Energy: 1.8592343871260741
Energy: 1.842881467285214
Energy: 1.6226075125435577
Energy: 1.6283900443664527
Energy: 1.6233960782306227
Energy: 1.8494165806224865
Energy: 1.8525387532947895
Energy: 1.6219577059779047
Energy: 1.6241583223156637
Energy: 1.6247168267933683
Energy: 1.749880576929181
Energy: 1.6537341012123274
Energy: 1.6182028191257294
Energy: 1.6307866408190936
Energy: 1.6217218391380104
Energy: 1.6694262980280958
Energy: 1.62192117111549
Energy: 1.617269466872159
Energy: 1.6301798785561739
Energy: 1.8248706330838282
Energy: 1.6812523547411287
Energy: 1.8325815036555004
Energy: 1.8680344099424908
Energy: 1.8350496850023246
Energy: 1.8127423060235175
Energy: 1.655779403701366
Energy: 1.8731758718970124
Energy: 1.8693057114002203
Energy: 1.898887160466199
Energy: 1.8486401220401962
Energy: 1.7077875865598147
Energy: 1.8570803470973158
Energy: 1.6227286401012255
Energy: 1.8907544001274228
Energy: 1.8522630310660164
Energy: 1.8845565000198343
Energy: 1.8818026524968314
Energy: 1.6227932425100573
Energy: 1.8530163607366108
Energy: 1.7205179180755392
Energy: 1.6635371660331073
Energy: 1.860318134858591
Energy: 1.6249819125531766
Energy: 1.7186923624325658
Energy: 1.6643067734258172
Energy: 1.686800914028485
Energy: 1.802961575435031
Energy: 1.6244723033521467
Energy: 1.7112019057579948
Energy: 1.721202286099707
Energy: 1.7207459818640833
Energy: 1.7586575550758035
Energy: 1.759656045350838
Energy: 1.7150293378847574
Energy: 1.713195547985135
Energy: 1.6651210462281507
Energy: 1.758151146279188
Energy: 1.759709633262412
Energy: 1.723304480420113
Energy: 1.7193316624189732
Energy: 1.7310402455873952
Energy: 1.627657837531757
Energy: 1.8668977599959098
Energy: 1.6659890606896879
Energy: 1.7111922247256481
Energy: 1.7223554403956232
Energy: 1.6260625356912413
Energy: 1.8719903106479885
Energy: 1.703563528800979
Energy: 1.8766667225786633
Energy: 1.7834120413748293
Energy: 1.595474702380851
Energy: 1.801439687353968
Energy: 1.692284599861792
Energy: 1.7988356295108838
Energy: 1.846185674420564
Energy: 1.6026963964596248
Energy: 1.879630637477956
Energy: 1.6674603620030704
Energy: 1.9014968338771079
Energy: 1.8532096699188505
Energy: 1.8741522785256786
Energy: 1.801501433514297
Energy: 1.6952026392387283
Energy: 1.8953563126579536
Energy: 1.86796569185539
Energy: 1.874290047478953
Energy: 1.800536705912167
Energy: 1.9017420427266667
Energy: 1.7299718663555999
Energy: 1.6265094855245277
Energy: 1.6204294511947657
Energy: 1.6355272084547368
Energy: 1.8344330147338745
Energy: 1.7248671953491386
Energy: 1.6496276924842472
Energy: 1.669060853584829
Energy: 1.6321583785150848
Energy: 1.6132256605355753
Energy: 1.7033042303589412
Energy: 1.6256203166237353
Energy: 1.7016934158343069
Energy: 1.8286887807475987
Energy: 1.7771359594633724
Energy: 1.6958082968668144
Energy: 1.5643476738634854
Energy: 1.621040496968426
Energy: 1.6370542757040787
Energy: 1.7627793312067634
Energy: 1.6678691738191125
Energy: 1.7284397835232437
Energy: 1.7131331429102858
Energy: 1.6601034746861512
Energy: 1.7504553213087795
Energy: 1.6175631917497628
Energy: 1.723028648147015
Energy: 1.6138861594377663
Energy: 1.6767776888943455
Energy: 1.7582190583459552
Energy: 1.7631242651196242
Energy: 1.7582075785542968
Energy: 1.8454945441416524
Energy: 1.8477778244974339
Energy: 1.7053821432486855
Energy: 1.7048892067597912
Energy: 1.7046419271018378
Energy: 1.8442328976891356
Energy: 1.8526731667698093
Energy: 1.7588118216935515
Energy: 1.7578902563754653
Energy: 1.7569288935939527
Energy: 1.5925896325817597
Energy: 1.849639695297854
Energy: 1.703072638712032
Energy: 1.7490113945982866
Energy: 1.7490300619645602
Energy: 1.5912146870350248
Energy: 1.7646165558539881
Energy: 1.750055280839493
Energy: 1.7685343788335002
Energy: 1.758936797641886
Energy: 1.6764654866408664
Energy: 1.7670471279962305
Energy: 1.6738822711206574
Energy: 1.7116438303242747
Energy: 1.8145948116475443
Energy: 1.6765373224188131
Energy: 1.7366510704708586
Energy: 1.6533368062328462
Energy: 1.7720750724066383
Energy: 1.7144859636090388
Energy: 1.7146908701328676
Energy: 1.760373394780425
Energy: 1.657707409451508
Energy: 1.7436717053503448
Energy: 1.714762379487793
Energy: 1.7155303911388302
Energy: 1.7604464109590212
Energy: 1.7353137945775856
Energy: 1.6279770532024744
Energy: 1.6257402761363475
Energy: 1.7587852851693506
Energy: 1.7892990526862886
Energy: 1.7063880476204274
Energy: 1.628163260094579
Energy: 1.629489971915102
Energy: 1.795257753297133
Energy: 1.7714754544035052
Energy: 1.889896376368646
Energy: 1.6250107560553815
Energy: 1.6302053784831698
Energy: 1.6248343529391254
Energy: 1.6725509438106785
Energy: 1.6971057783259103
Energy: 1.6244660877344812
Energy: 1.623939840041259
Energy: 1.626688797343858
Energy: 1.6888209129769698
Energy: 1.6930751669131092
Energy: 1.6215585465540763
Energy: 1.621881892118711
Energy: 1.621980442370053
Energy: 1.6156655530360877
Energy: 1.7157384646771086
Energy: 1.6214751467525492
Energy: 1.6271584116246314
Energy: 1.6268409687446224
Energy: 1.6435258005856161
Energy: 1.791181075513541
Energy: 1.7527607025515293
Energy: 1.8616228305732543
Energy: 1.7985254933934638
Energy: 1.6649036733898752
Energy: 1.8540060413226507
Energy: 1.708974307744371
Energy: 1.8154470280127264
Energy: 1.886877516551301
Energy: 1.7227199405472597
Energy: 1.884804683798379
Energy: 1.7488005621474891
Energy: 1.8904218042221759
Energy: 1.8516852654984162
Energy: 1.8548006301844464
Energy: 1.8289631273702298
Energy: 1.8715416461433645
Energy: 1.8555434042967338
Energy: 1.852113529689815
Energy: 1.856489807022791
Energy: 1.8749551859081512
Energy: 1.748920549522144
Energy: 1.7146312976987161
Energy: 1.660586092860146
Energy: 1.893126005309107
Energy: 1.66237313041579
Energy: 1.762574914808993
Energy: 1.7220562978053036
Energy: 1.7091600109568976
Energy: 1.9116200344317145
Energy: 1.6263109595032037
Energy: 1.6318157518862004
Energy: 1.7089637988196347
Energy: 1.6647229843554476
Energy: 1.6670957029310098
Energy: 1.7797246404426967
Energy: 1.6315962583524977
Energy: 1.7174927319265456
Energy: 1.7221117533866295
Energy: 1.6835040699690609
Energy: 1.6561751080856515
Energy: 1.9129183598321249
Energy: 1.6656906799842002
Energy: 1.7105725938794267
Energy: 1.739448934222468
Energy: 1.7085483098599032
Energy: 1.8941087896762283
Energy: 1.722964296868003
Energy: 1.7189474592996263
Energy: 1.6693521110572647
Energy: 1.7099309651566108
Energy: 1.8983243165262211
Energy: 1.6814501278281688
Energy: 1.8141990961352477
Energy: 1.7122904281930102
Energy: 1.8701673870802555
Energy: 1.894693346444251
Energy: 1.6111139916036963
Energy: 1.8489533586552764
Energy: 1.7137264375298653
Energy: 1.8587870015506116
Energy: 1.6883979931309874
Energy: 1.904805492834109
Energy: 1.9045987979969974
Energy: 1.6727612457918402
Energy: 1.8562543721965452
Energy: 1.609611404377654
Energy: 1.8911685343773672
Energy: 1.8913491992864118
Energy: 1.677234631323584
Energy: 1.8553493105409815
Energy: 1.6824818059007278
Energy: 1.6810848298320664
Energy: 1.7250238707143284
Energy: 1.6532300068168178
Energy: 1.7611659894783478
Energy: 1.6835378926728555
Energy: 1.7611086755701295
Energy: 1.7305601435184719
Energy: 1.6292229843241648
Energy: 1.785931169844013
Energy: 1.8587818864284011
Energy: 1.6955716856679548
Energy: 1.7248571917089577
Energy: 1.623182818346167
Energy: 1.7640083498404642
Energy: 1.7810695864370973
Energy: 1.6996670483847076
Energy: 1.7290973934799594
Energy: 1.7031693937147334
Energy: 1.7641099633977395
Energy: 1.7741571030807273
Energy: 1.7481342104315098
Energy: 1.6247661264183366
Energy: 1.7229850649651168
Energy: 1.6857571778465847
Energy: 1.6946324502159424
Energy: 1.7321087161212187
Energy: 1.5615727449645078
Energy: 1.727912189863119
Energy: 1.8245561838807485
Energy: 1.7323163412366838
Energy: 1.751257446159709
Energy: 1.7500374780882022
Energy: 1.663083489678757
Energy: 1.7550437138853103
Energy: 1.6655628239997393
Energy: 1.6449166389439127
Energy: 1.6442105913139218
Energy: 1.6452957509337431
Energy: 1.590526607947147
Energy: 1.7130303281402148
Energy: 1.731162135022117
Energy: 1.7467679357082857
Energy: 1.7469015372167058
Energy: 1.5916407402969766
Energy: 1.6632007137845808
Energy: 1.6035476783858003
Energy: 1.7313037189739626
Energy: 1.7315067045514816
Energy: 1.668226768660177
Energy: 1.7008782713625468
Energy: 1.6408736638639214
Energy: 1.7092174739208403
Energy: 1.7195069636124134
Energy: 1.6266486589462668
Energy: 1.7638621859587407
Energy: 1.6377765571778564
Energy: 1.6494329049420602
Energy: 1.7743013175165456
Energy: 1.628614968444844
Energy: 1.7795192530790565
Energy: 1.787549959154813
Energy: 1.7197802134316778
Energy: 1.7274469669542285
Energy: 1.773794709113339
Energy: 1.8536459058272108
Energy: 1.8833959996714462
Energy: 1.7190740335727985
Energy: 1.7143480094392773
Energy: 1.777873610953171
Energy: 1.7462861980622781
Energy: 1.7324838833008234
Energy: 1.5499763966844282
Energy: 1.5488263525745691
Energy: 1.7175552085868095
Energy: 1.6024639357871875
Energy: 1.671625329351393
Energy: 1.5503109696417647
Energy: 1.5477050278703166
Energy: 1.740842625423902
Energy: 1.58838172305058
Energy: 1.5478194120234001
Energy: 1.5480818023973686
Energy: 1.5479643814789785
Energy: 1.5292405796978148
Energy: 1.5197139339583927
Energy: 1.5469571981568015
Energy: 1.5484753753205518
Energy: 1.5470386218375447
Energy: 1.7110490721070626

minimum gb energy = 1.5197139339583927 eV
minimum distance =  2.21819210228332 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.7921415118010218
Energy: 1.6852658691772087
Energy: 1.6298695047880576
Energy: 1.633839841419576
Energy: 1.604786162891297
Energy: 1.7307287187767952
Energy: 1.6326833394713143
Energy: 1.707720998236638
Energy: 1.631908164716517
Energy: 1.6811095469951245
Energy: 1.6847652252984326
Energy: 1.745400449762244
Energy: 1.69821452239164
Energy: 1.6310800254162507
Energy: 1.8352497501815122
Energy: 1.611496925083879
Energy: 1.613760056704047
Energy: 1.7165206054160413
Energy: 1.8291536797697452
Energy: 1.752261585060985
Energy: 1.6278215324607068
Energy: 1.8742651047871866
Energy: 1.7775676583638802
Energy: 1.632787629639538
Energy: 1.7671749196920021
Energy: 1.701602128145263
Energy: 1.7006016611832988
Energy: 1.6978289459337292
Energy: 1.7008782825906583
Energy: 1.7692849114079234
Energy: 1.7685063857140417
Energy: 1.723857725189826
Energy: 1.703532249218139
Energy: 1.7027890022493692
Energy: 1.7045187025365047
Energy: 1.7005153581810493
Energy: 1.6351681643261948
Energy: 1.6320105411109471
Energy: 1.6328046715431708
Energy: 1.7687226415718913
Energy: 1.7034114716338224
Energy: 1.7806568850940923
Energy: 1.8172264504209201
Energy: 1.814615527845226
Energy: 1.6075369687787333
Energy: 1.699869367884901
Energy: 1.706647569002242
Energy: 1.6331007396499737
Energy: 1.7129946684915756
Energy: 1.8136758595282259
Energy: 1.6982877671793215
Energy: 1.7194514631968825
Energy: 1.7156902013486124
Energy: 1.6816562270153177
Energy: 1.6067487049263252
Energy: 1.6990398994347349
Energy: 1.719046438261813
Energy: 1.6070579741533653
Energy: 1.681869752176838
Energy: 1.7164814562342636
Energy: 1.790848611367099
Energy: 1.8749989118670383
Energy: 1.7026842009980783
Energy: 1.6095470680561728
Energy: 1.8135928123657816
Energy: 1.6851562137875988
Energy: 1.7028383262008693
Energy: 1.8754973737181182
Energy: 1.8023936499277717
Energy: 1.711581633413476
Energy: 1.7214447891415448
Energy: 1.7669492773012534
Energy: 1.7332446416570295
Energy: 1.7340623416229777
Energy: 1.8180237351486002
Energy: 1.592117494616494
Energy: 1.7714606929606018
Energy: 1.8739786340701567
Energy: 1.8784741619917968
Energy: 1.6039401484402442
Energy: 1.5916047199614598
Energy: 1.7137093398111656
Energy: 1.794790167943669
Energy: 1.874417612598952
Energy: 1.7812685109720627
Energy: 1.5911527993644607
Energy: 1.682196679511695
Energy: 1.6526291681073093
Energy: 1.732444407135437
Energy: 1.6073947556893518
Energy: 1.7918905776103355
Energy: 1.749070888714325
Energy: 1.8736151883478767
Energy: 1.8728282645941055
Energy: 1.8616801512936265
Energy: 1.6802888599166603
Energy: 1.7329332318159802
Energy: 1.6140770683076198
Energy: 1.7005260188101603
Energy: 1.8591748166621909
Energy: 1.7615236478956235
Energy: 1.6223652039310483
Energy: 1.7510045204499558
Energy: 1.6984025833540666
Energy: 1.772536742976659
Energy: 1.6991633694770114
Energy: 1.6361297920742817
Energy: 1.7797532747233418
Energy: 1.7714811060117202
Energy: 1.7275485764642595
Energy: 1.623715714863883
Energy: 1.804408410485227
Energy: 1.7495652036080303
Energy: 1.6075325245685719
Energy: 1.6809193551153445
Energy: 1.7046524652222264
Energy: 1.7518589455767608
Energy: 1.823519747107657
Energy: 1.821010601514787
Energy: 1.7258752350585913
Energy: 1.7804532317236919
Energy: 1.7699800760683517
Energy: 1.6087022942856548
Energy: 1.6090903430709655
Energy: 1.6266019421447606
Energy: 1.781925366603278
Energy: 1.7758255638565346
Energy: 1.7197832629520522
Energy: 1.8556266532579364
Energy: 1.659798961681457
Energy: 1.6986886554737386
Energy: 1.6981261668215946
Energy: 1.6978339832660063
Energy: 1.6817546965607684
Energy: 1.6103330376786573
Energy: 1.772110646581894
Energy: 1.698622662321252
Energy: 1.65239649278189
Energy: 1.6810417812492273
Energy: 1.7484588563649874
Energy: 1.6820411960031971
Energy: 1.8713926747930898
Energy: 1.7811220431788908
Energy: 1.6307148844239077
Energy: 1.6104713904086847
Energy: 1.6771497874219443
Energy: 1.6996568652649329
Energy: 1.6301732175647374
Energy: 1.6328652280788958
Energy: 1.7200763982298672

minimum gb energy = 1.5911527993644607 eV
minimum distance =  2.29539832959247 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.5221001902283433
Energy: 1.3488452537825877
Energy: 1.3615579662255313
Energy: 1.3624229262780896
Energy: 1.3493121696301045
Energy: 1.5226595476166416
Energy: 1.362731658774688
Energy: 1.3616860328397544
Energy: 1.3635888094698776
Energy: 1.569446401818004
Energy: 1.5634884472034258
Energy: 1.3608815891040835
Energy: 1.3610909704000052
Energy: 1.4452583506722751
Energy: 1.5744780477071663
Energy: 1.574005191331836
Energy: 1.3613353995558843
Energy: 1.361205629615367
Energy: 1.4424499659502843
Energy: 1.5720196611370842
Energy: 1.4670013858866517
Energy: 1.4740821713402954
Energy: 1.4743363265497433
Energy: 1.460238460451368
Energy: 1.5714982256748027
Energy: 1.4665715619847113
Energy: 1.473723513154912
Energy: 1.4759828160759365
Energy: 1.4598295294849088
Energy: 1.5621634667345208
Energy: 1.5693487773068453
Energy: 1.4421474157177434
Energy: 1.4780431127356077
Energy: 1.461831360594648
Energy: 1.557951789540767
Energy: 1.571978388166852
Energy: 1.360905073404238
Energy: 1.4771286378721653
Energy: 1.4612526262111574
Energy: 1.5830485590752135
Energy: 1.5731665784275375
Energy: 1.4046694033018154
Energy: 1.5777373241299455
Energy: 1.573674728555006
Energy: 1.5807995587786685
Energy: 1.5764045266886808
Energy: 1.465427924326661
Energy: 1.57575539999166
Energy: 1.5742720623877355
Energy: 1.580739225460282
Energy: 1.5779992157329894
Energy: 1.464876826347865
Energy: 1.5770922400444516
Energy: 1.352338181391418
Energy: 1.5669067883186023
Energy: 1.5800562809467946
Energy: 1.4628151858336778
Energy: 1.5761827986459982
Energy: 1.3502652841215432
Energy: 1.574562078836116
Energy: 1.582424462316292
Energy: 1.5766494717326445
Energy: 1.5749586724886318
Energy: 1.3482565380568146
Energy: 1.5713482287408036
Energy: 1.4761252385712769
Energy: 1.5745430415470476
Energy: 1.577120830723932
Energy: 1.351782446641891
Energy: 1.573004755395101
Energy: 1.4624264019806161
Energy: 1.4685728864156096
Energy: 1.4766979242335643
Energy: 1.3608414953605734
Energy: 1.460367289386814
Energy: 1.4969752600068347
Energy: 1.468408994387622
Energy: 1.4769171893673902
Energy: 1.4414990193631831
Energy: 1.46026162318553
Energy: 1.462082773946828
Energy: 1.4602601384359133
Energy: 1.5042420549738438
Energy: 1.3483203804397208
Energy: 1.4672279783644067
Energy: 1.461838389679749
Energy: 1.4659347790045678
Energy: 1.505425221614261
Energy: 1.4776661387663022
Energy: 1.4603091296215276
Energy: 1.5780946970190732
Energy: 1.4585103646120547
Energy: 1.3637078114846402
Energy: 1.3649614951441267
Energy: 1.577865573373389
Energy: 1.5780980041880457
Energy: 1.4447503952206142
Energy: 1.3641194658579008
Energy: 1.3625067920207221
Energy: 1.5781382184759072
Energy: 1.4627526801012538
Energy: 1.366169334492942
Energy: 1.3611789511562116
Energy: 1.361671464605646
Energy: 1.5747284103387758
Energy: 1.4627526771520292
Energy: 1.3651573884338024
Energy: 1.3611790217091149
Energy: 1.3620273728852945
Energy: 1.56623131987779
Energy: 1.3605676530696917
Energy: 1.36225862750737
Energy: 1.4794400767939917
Energy: 1.4034014653956013
Energy: 1.575370493836454
Energy: 1.3610407972299432
Energy: 1.3623081680291451
Energy: 1.439926815750073
Energy: 1.4647796986170853
Energy: 1.5763462850513466
Energy: 1.4031639037493835
Energy: 1.3608558199989813
Energy: 1.3633613135781495
Energy: 1.5651938232665723
Energy: 1.4645190141840332
Energy: 1.4021249889442318
Energy: 1.3612377742507216
Energy: 1.3616025785368429
Energy: 1.5714149094659804
Energy: 1.4660378143229744
Energy: 1.3664489754776776
Energy: 1.3612734322678026
Energy: 1.3629961765324916
Energy: 1.5671542979829707
Energy: 1.5608866173388527
Energy: 1.3644088766120708
Energy: 1.3615003296563444
Energy: 1.3629856286242026
Energy: 1.352382813743285
Energy: 1.5591685531687247
Energy: 1.3627157796894047
Energy: 1.4429513798639007
Energy: 1.458376667332638
Energy: 1.5739121161024827
Energy: 1.4745910343671176
Energy: 1.366182331534045
Energy: 1.4445378021404047
Energy: 1.5787773661583493
Energy: 1.5766804550463867
Energy: 1.4755040377290856
Energy: 1.363195811515067
Energy: 1.4654653719027189
Energy: 1.5644850242708983
Energy: 1.5672027138231672
Energy: 1.4770120389648613
Energy: 1.4405812685214396
Energy: 1.465506441922501
Energy: 1.5649557831777565
Energy: 1.5658984546149284
Energy: 1.4772958503250733
Energy: 1.4326258370442004
Energy: 1.4769669767072424
Energy: 1.5601369295533178
Energy: 1.5639639932487652
Energy: 1.4660198839817693
Energy: 1.4659467656450664
Energy: 1.4676599693540207
Energy: 1.5670900946511668
Energy: 1.568344490388896
Energy: 1.4702105903211247
Energy: 1.5720426912101038
Energy: 1.5766524702717752
Energy: 1.5872583596440384
Energy: 1.579125912324703
Energy: 1.3664738869826984
Energy: 1.5722900354968121
Energy: 1.5745959710414839
Energy: 1.4768174683258615
Energy: 1.5714965433355395
Energy: 1.3680737228348687
Energy: 1.57381672943395
Energy: 1.5804798483604996
Energy: 1.5897721510733496
Energy: 1.5735465828600488
Energy: 1.46748195880075
Energy: 1.5740938534638238
Energy: 1.56865368810332
Energy: 1.5867251676782048
Energy: 1.5734349071437734
Energy: 1.3648991831141175
Energy: 1.5751570726240962
Energy: 1.5579850603042595
Energy: 1.3550243811019191
Energy: 1.57111274598595
Energy: 1.5772567221621836
Energy: 1.5763548737577353
Energy: 1.5650189938867145
Energy: 1.4614634573625804
Energy: 1.569392857404313
Energy: 1.576519912259643
Energy: 1.475044029096723
Energy: 1.4398517439869207
Energy: 1.4707050852069812
Energy: 1.4481056747125585
Energy: 1.570351269036026
Energy: 1.4756405600393334
Energy: 1.473412261167739
Energy: 1.4955377950728235
Energy: 1.4462958636568426
Energy: 1.4603467489660686
Energy: 1.4783742910827082
Energy: 1.5024062362548791
Energy: 1.4740093909905738
Energy: 1.4630874105161036
Energy: 1.4603391518811268
Energy: 1.4785635488695803
Energy: 1.50471652728797
Energy: 1.4739915738648428
Energy: 1.595887147547036
Energy: 1.4606352779262193
Energy: 1.4407786601184054
Energy: 1.3616512450694334
Energy: 1.4679164043932134
Energy: 1.579492770704137
Energy: 1.4432746728366066
Energy: 1.435406295937333
Energy: 1.3608899493424762
Energy: 1.4696479513654648
Energy: 1.5716251591871457
Energy: 1.443150094317045
Energy: 1.3651925648249843
Energy: 1.361864911521984
Energy: 1.5794088914985875
Energy: 1.578684293304574
Energy: 1.3621246805360119
Energy: 1.4454041632378039
Energy: 1.362055355654743
Energy: 1.579649890199975
Energy: 1.4624022784991464
Energy: 1.3675325776047063
Energy: 1.3607292326285751
Energy: 1.4044701402068853
Energy: 1.631831550663333
Energy: 1.4779418856443522
Energy: 1.362414082920972
Energy: 1.3641493780957816
Energy: 1.3653956944613155
Energy: 1.6222254507747593
Energy: 1.3610356245213002
Energy: 1.3620153641463297
Energy: 1.361089611479379
Energy: 1.4779945915697357
Energy: 1.5862691355770298
Energy: 1.361109250819058
Energy: 1.4842886867984193
Energy: 1.3609960043544176
Energy: 1.5847787828929674
Energy: 1.5861881539279246
Energy: 1.3610504434772275
Energy: 1.3614793827190899
Energy: 1.3611147215725117
Energy: 1.5661197281670693
Energy: 1.3544591016191017
Energy: 1.361380782050495
Energy: 1.440437891205909
Energy: 1.3612781135093268
Energy: 1.5661341045393913
Energy: 1.5657792171023688
Energy: 1.3609222808878318
Energy: 1.432731260060647
Energy: 1.4600816605902074
Energy: 1.5700818030012307
Energy: 1.5774454620297897
Energy: 1.3612188203128075
Energy: 1.4420932562785458
Energy: 1.458876075196374
Energy: 1.5772027286684271
Energy: 1.5725322484838546
Energy: 1.3613022889119997
Energy: 1.4417221860600182
Energy: 1.5643956956419975
Energy: 1.5613522852081068
Energy: 1.4669583253772234
Energy: 1.4606612729498383
Energy: 1.468262857642425
Energy: 1.563370740289713
Energy: 1.3539830925119145
Energy: 1.466736369361425
Energy: 1.3603142758560893
Energy: 1.4656668346673931
Energy: 1.466803591229488
Energy: 1.3525713090658773
Energy: 1.4670957089277934
Energy: 1.468190722029255
Energy: 1.4780403845694192
Energy: 1.5669807786861611
Energy: 1.5654960717040252
Energy: 1.4670850048632456
Energy: 1.566430264820461
Energy: 1.4783171593276545
Energy: 1.5761502988145364
Energy: 1.5919197838349906
Energy: 1.4611301503901613
Energy: 1.5737762106696762
Energy: 1.5765173285151644
Energy: 1.4671637464062173
Energy: 1.5777255122462308
Energy: 1.3626325643755612
Energy: 1.5763742474499405
Energy: 1.5755165728642289
Energy: 1.5650714738389415
Energy: 1.5754769116940281
Energy: 1.571350128186295
Energy: 1.5786671073981686
Energy: 1.5718427596573306
Energy: 1.3482538353337106
Energy: 1.568864039521226
Energy: 1.3640880905728134
Energy: 1.5723434716128952
Energy: 1.5644966935378144
Energy: 1.4674940762280329
Energy: 1.5714320964340065
Energy: 1.5876645574846708
Energy: 1.5744013912765014
Energy: 1.5582458688654666
Energy: 1.4615384735609298
Energy: 1.5706880210174674
Energy: 1.5740818817697957
Energy: 1.5744524321263873
Energy: 1.5598420652156022
Energy: 1.4619577832939274
Energy: 1.5763239951905816
Energy: 1.575549260008039
Energy: 1.4694541507719114
Energy: 1.36214380281207
Energy: 1.4600582399432023
Energy: 1.57626462355576
Energy: 1.5757919977958412
Energy: 1.4670201714630522
Energy: 1.364344709924653
Energy: 1.475931263592869
Energy: 1.475077725346766
Energy: 1.5781332379879704
Energy: 1.465897391417197
Energy: 1.3478200428399119
Energy: 1.4747714990821925
Energy: 1.5543110142634788
Energy: 1.5741203643702764
Energy: 1.4683302106294163
Energy: 1.3470036771910017
Energy: 1.4775898693595966
Energy: 1.5437890217639667
Energy: 1.4072065980120871
Energy: 1.4392835058532132
Energy: 1.3613444882616699
Energy: 1.477978658271074
Energy: 1.5806784057818237
Energy: 1.4084944983582874
Energy: 1.438787466450119
Energy: 1.3617776096031968
Energy: 1.4626880515978233
Energy: 1.3789013152221818
Energy: 1.3617805279771233
Energy: 1.3627724095328102
Energy: 1.367285286953093
Energy: 1.4629359470256038
Energy: 1.5519423667228216
Energy: 1.3619695923313264
Energy: 1.3632016870061845
Energy: 1.3624027320393026
Energy: 1.5776088470226188
Energy: 1.5784438445208
Energy: 1.361330171568552
Energy: 1.3633588441101983
Energy: 1.3636874761296858
Energy: 1.5772297325868154
Energy: 1.57379506040371
Energy: 1.3608694008152178
Energy: 1.3632382727255077
Energy: 1.3645610338916643
Energy: 1.5657999818317203
Energy: 1.4675974749140124
Energy: 1.3610767305535865
Energy: 1.3610262905891348
Energy: 1.3653576406813122
Energy: 1.4786804152866062
Energy: 1.3616866896749305
Energy: 1.3615977837860194
Energy: 1.3604931420235329
Energy: 1.3487686730022235

minimum gb energy = 1.3470036771910017 eV
minimum distance =  2.32903026884568 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.9282488374519007
Energy: 0.9424429083378625
Energy: 1.0136743429781896
Energy: 1.0984149036659527
Energy: 1.0886212021354722
Energy: 1.0886841646634544
Energy: 1.182422563138787
Energy: 0.9783057088431307
Energy: 1.0095358273288257
Energy: 0.92076169221317
Energy: 0.937341944525931
Energy: 1.0102169974314847
Energy: 1.322049405207393
Energy: 0.9805846812919778
Energy: 1.0564307413191374
Energy: 1.1038413625788874
Energy: 1.1779034537171265
Energy: 1.0143246126721666
Energy: 0.9443183066490891
Energy: 1.0073161265088304
Energy: 0.981752544478192
Energy: 0.9987413325540901
Energy: 1.22784172770037
Energy: 0.9438809468838131
Energy: 1.0119039776336294
Energy: 1.0949029350861719
Energy: 1.1998973104780228
Energy: 1.009814047595267
Energy: 0.941466422623061
Energy: 1.0060140921560803
Energy: 1.0924986894387123
Energy: 0.9827194551458385
Energy: 0.9740559041787984
Energy: 1.1139889590782763
Energy: 1.004874858067389
Energy: 0.9650014839508049
Energy: 0.9984952307617496
Energy: 1.0031166089332717
Energy: 1.0972630717091765
Energy: 0.9941978851694213
Energy: 0.9795294713498861
Energy: 1.0062380162865894
Energy: 0.9802947405718709
Energy: 0.9886693758297807
Energy: 0.9413521429323543
Energy: 0.9420791780728067
Energy: 1.00281534464535
Energy: 0.9782793949038714
Energy: 1.0508241888416543
Energy: 1.042172109196335
Energy: 1.0180185173630176
Energy: 0.9821507620794542
Energy: 0.9941793099348619
Energy: 0.9636300423974803
Energy: 0.9643069782482926
Energy: 0.981746450955818
Energy: 0.9892368798678117
Energy: 0.9827852617533103
Energy: 0.9439270127499576
Energy: 1.0318803647387813
Energy: 1.0379169178160834
Energy: 0.9951493431047771
Energy: 0.9423553698175992
Energy: 0.9699135139486463
Energy: 0.9622627961199873
Energy: 1.0444325165059671
Energy: 1.0407453763925234
Energy: 0.9432677343864833
Energy: 1.015534674206092
Energy: 0.9450734396494016
Energy: 1.0015224048641977
Energy: 0.9403197241943316
Energy: 0.9409842387149916
Energy: 0.9869876673135284
Energy: 0.9456147311170582
Energy: 0.9419140912348196
Energy: 1.1894225290555576
Energy: 0.9402733222165632
Energy: 1.0954902724559303
Energy: 0.9874173246530003
Energy: 0.9393720040465106
Energy: 0.993670221690579
Energy: 1.054251409498243
Energy: 0.9809414344154443
Energy: 0.9400642464444268
Energy: 0.9400812384047349
Energy: 0.9426473866166911
Energy: 0.9884593704226332
Energy: 1.1193524397604206
Energy: 1.007126133598324
Energy: 0.9437386107623271
Energy: 0.9768897496473752
Energy: 0.9787310183102463
Energy: 0.9386939619560973
Energy: 0.9442015258650297
Energy: 1.1194076789883787
Energy: 0.9814026601211753
Energy: 1.164088629573955
Energy: 0.9402921688240137
Energy: 1.0507723378887486
Energy: 1.1764295849381567
Energy: 1.2006235309760351
Energy: 1.1894458210795156
Energy: 1.1901022132943528
Energy: 0.9419222563587992
Energy: 1.1736889313231331
Energy: 1.1725123164393707
Energy: 1.1285413463619174
Energy: 1.1282616814022626
Energy: 1.140368275579505
Energy: 1.1638991509757304
Energy: 1.188156669406112
Energy: 1.2267655311477659
Energy: 1.2064503234510293
Energy: 1.1768232520129094
Energy: 1.172489303535089
Energy: 1.1285492386824867
Energy: 1.223025861796009
Energy: 1.1404594971989337
Energy: 1.0502116556631718
Energy: 1.3146751500443048
Energy: 1.1727268024877033
Energy: 1.2072365182020692
Energy: 1.221313607955643
Energy: 1.1971042249730777
Energy: 1.2158986621807624
Energy: 1.221403262635103
Energy: 1.1903647538975786
Energy: 1.163496731775127
Energy: 1.2384949523334778
Energy: 1.1820694475412
Energy: 1.3705910513259827
Energy: 1.1936769869027177
Energy: 1.178893601849127
Energy: 1.224846468648588
Energy: 1.170160562342373
Energy: 1.2054640073668206
Energy: 1.2048879974901294
Energy: 1.1697775614943866
Energy: 1.1965699155815
Energy: 1.1402850073838353
Energy: 1.140313001901486
Energy: 1.205386780224274
Energy: 1.1949673057591474
Energy: 1.2446143285966484
Energy: 1.1360660382433343
Energy: 1.1455832019591314
Energy: 1.2416420860706532
Energy: 1.164958547432016
Energy: 1.1816730470341161
Energy: 1.2499305462997874
Energy: 1.2513303137122096
Energy: 1.1893667326129829
Energy: 1.1914817697447746
Energy: 1.1931486983586939
Energy: 1.191436317958169
Energy: 1.1878357401361677
Energy: 1.1899858686309268
Energy: 1.1758767232745713
Energy: 1.1963172315422392
Energy: 1.1784437567633013
Energy: 1.175220108528861
Energy: 1.1326090880272943
Energy: 1.1908871086451587
Energy: 1.1915295188690218
Energy: 1.2023164722311488
Energy: 1.204966222190244
Energy: 1.1894386586796866
Energy: 1.1947689288265244
Energy: 1.1856795349521518
Energy: 1.1682045567326473
Energy: 1.1897660349254078
Energy: 1.1904716916923908
Energy: 1.195921077760644
Energy: 1.2152474631550172
Energy: 1.191913844808923
Energy: 1.189664764328706
Energy: 1.193418963619685
Energy: 1.1923361449513203
Energy: 1.1803219660723672
Energy: 1.2025976263619231
Energy: 1.2490368184995935
Energy: 1.180221358018899
Energy: 1.1900408534578168
Energy: 1.1423626620830445
Energy: 1.21115658607394
Energy: 1.192628658994114
Energy: 1.2268997527882715
Energy: 1.1855665953806667
Energy: 1.152872816616426
Energy: 1.140908863776293
Energy: 1.1939154417349924
Energy: 1.1768507591053534
Energy: 1.2060871107297557
Energy: 1.205420587022092
Energy: 1.136189608897324
Energy: 1.187947014619519
Energy: 1.260799061497438
Energy: 1.162122108101335
Energy: 1.1629752709043413
Energy: 1.1883807787750378
Energy: 1.1243861148911578
Energy: 1.1642073942799556
Energy: 1.193030294618486
Energy: 1.1896461051573395
Energy: 1.1952493243452058
Energy: 1.2108000579635008
Energy: 1.2109808746519966
Energy: 1.1939807249281829
Energy: 1.2050572944079787
Energy: 1.166383765825197
Energy: 1.1563229332489697
Energy: 1.1663405309765293
Energy: 1.2059002891482618
Energy: 1.1400836183535072
Energy: 1.1269078391528653
Energy: 1.1295631992210287
Energy: 1.1994592918874376
Energy: 1.136927464081395
Energy: 1.2197507232065776
Energy: 1.0145333650455697
Energy: 1.1879445464365403
Energy: 1.1336625100254847
Energy: 1.137592577771092
Energy: 1.1987243148116338
Energy: 1.1096059764120556
Energy: 1.196365621877997
Energy: 1.2061808843653614
Energy: 1.1229554775186015
Energy: 1.1403151790664976
Energy: 1.1433399763526144
Energy: 1.1498655215734204
Energy: 1.025905541721191
Energy: 1.2314158745194497
Energy: 1.1485960620182787
Energy: 1.1926895761244267
Energy: 0.9742662213147187
Energy: 0.9969623406499316
Energy: 1.0703952676550437
Energy: 1.1788156714230202
Energy: 0.939931367228237
Energy: 1.0154369804341572
Energy: 1.0143575249229675
Energy: 1.113348350924485
Energy: 0.9907474373793974
Energy: 0.9398263099798003
Energy: 0.9784221282303435
Energy: 1.0910794552832621
Energy: 0.9776845432577994
Energy: 0.9928482122466997
Energy: 0.974123310021816
Energy: 1.0012649609860749
Energy: 0.9998249469057091
Energy: 1.0061068657552208
Energy: 1.1446370417560865
Energy: 1.0648035253727768
Energy: 0.9960341328440315
Energy: 0.9855199333104133
Energy: 0.9812942103419551
Energy: 1.0046074608035978
Energy: 1.0449604121853076
Energy: 1.027699318250183
Energy: 1.2900589368521793
Energy: 0.9464405032308876
Energy: 0.9801441119567571
Energy: 0.9815147948390087
Energy: 0.946657793765034
Energy: 0.9389367127227138
Energy: 0.9825556813471581
Energy: 0.9863223321185929
Energy: 1.0170527316285958
Energy: 0.9799843221554754
Energy: 0.9568008375623154
Energy: 0.9400295462210286
Energy: 0.9397863581822985
Energy: 1.019013049576636
Energy: 0.9666282007796927
Energy: 0.9631926139182395
Energy: 0.9820853400685279
Energy: 1.0314039029000357
Energy: 0.9976233219863867
Energy: 1.0271393839560563
Energy: 0.9948964580978986
Energy: 1.0098372124159112
Energy: 0.9837089339340497
Energy: 1.1450172818103732
Energy: 0.94224704454564
Energy: 0.9399567072940291
Energy: 0.9795894386857782
Energy: 1.0095768700205536
Energy: 0.9421864930036066
Energy: 0.9690870905328479
Energy: 1.0089668374988667
Energy: 1.004154872506648
Energy: 1.0014234767562424
Energy: 0.9422013613032785
Energy: 0.966294289908405
Energy: 0.9418637718532765
Energy: 0.9821560270038758
Energy: 0.9462139060103221
Energy: 1.0055793955803782
Energy: 1.0513075489348476
Energy: 0.9424475191754236
Energy: 1.1783312745468542
Energy: 1.0321333878064116
Energy: 1.0039762310489804
Energy: 0.9825631970162543
Energy: 1.1579121258298732
Energy: 1.1457360643300256
Energy: 1.0064385112805834
Energy: 1.0731717165952412
Energy: 1.0531535466868678
Energy: 1.0098308739016424
Energy: 1.0133394986615896
Energy: 1.100586566142693
Energy: 1.0962101923018335
Energy: 0.9412747659600924
Energy: 1.0030987262998168
Energy: 1.0994579109259666
Energy: 1.0181357765880437
Energy: 0.9299791308213866
Energy: 1.02472065607266
Energy: 0.9429657109916616
Energy: 1.129279927442585
Energy: 1.1602644204773438
Energy: 0.9403901569028636
Energy: 1.0588819007975168
Energy: 1.2940975922494116
Energy: 0.9405294013317126
Energy: 0.9268348498416096

minimum gb energy = 0.92076169221317 eV
minimum distance =  2.28464267813157 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3906859720881615
Energy: 1.372925794419414
Energy: 1.3840077421127357
Energy: 1.3708404609240414
Energy: 1.3541144342950928
Energy: 1.3539086162972258
Energy: 1.3729471022111694
Energy: 1.36497192459788
Energy: 1.3816791516035136
Energy: 1.3696353019764775
Energy: 1.369427874280152
Energy: 1.368792967796565
Energy: 1.3701395998446464
Energy: 1.3574684134365578
Energy: 1.3495905500514656
Energy: 1.3945806034780954
Energy: 1.3592440630889728
Energy: 1.3592450599842825
Energy: 1.3810746945778327
Energy: 1.378144642481008
Energy: 1.3598101265643594
Energy: 1.3836905734270404
Energy: 1.386337190596844
Energy: 1.3608340573409614
Energy: 1.3750349709850171
Energy: 1.3594666309830512
Energy: 1.381020371208013
Energy: 1.3837727102572934
Energy: 1.3790912082075217
Energy: 1.362356939947547
Energy: 1.372193953857926
Energy: 1.3760647689930698
Energy: 1.3659720279191394
Energy: 1.3856457545608627
Energy: 1.373440165041805
Energy: 1.3636500264392213
Energy: 1.3790948373842562
Energy: 1.369035185722645
Energy: 1.3905802065240829
Energy: 1.3892958928346413
Energy: 1.386391981978396
Energy: 1.3797853784853424
Energy: 1.3739442390074896
Energy: 1.371911371848566
Energy: 1.359365721279045
Energy: 1.3907529951822584
Energy: 1.3830891255621904
Energy: 1.378682824628051
Energy: 1.3711001727423515
Energy: 1.3794074707506168
Energy: 1.3770668820935963
Energy: 1.385149472854891
Energy: 1.407678001947105
Energy: 1.3623137359877373
Energy: 1.3645810657592266
Energy: 1.3764596287203978
Energy: 1.3907092423521903
Energy: 1.3930840954767623
Energy: 1.36290566330934
Energy: 1.3647609277657256
Energy: 1.3620870082458114
Energy: 1.3754674406669878
Energy: 1.3886585677696195
Energy: 1.3632977438913463
Energy: 1.3785960782093158
Energy: 1.3857942744449252
Energy: 1.375027596414377
Energy: 1.3831165080183454
Energy: 1.3942905372650636
Energy: 1.3875091854533912
Energy: 1.3817734144722538
Energy: 1.3760654598411277
Energy: 1.3712909921299812
Energy: 1.3834080254542007
Energy: 1.376517704183468
Energy: 1.3805074581979357
Energy: 1.379329712807041
Energy: 1.3714338388960823
Energy: 1.388554364283113
Energy: 1.3801644919086467
Energy: 1.388670360718796
Energy: 1.376477240029505
Energy: 1.3663884566944224
Energy: 1.3617795488569575
Energy: 1.3715499679051788
Energy: 1.3839154713025077
Energy: 1.377300038693894
Energy: 1.3675444087498345
Energy: 1.3575443141762207
Energy: 1.3715879818729375
Energy: 1.365451255916776
Energy: 1.3542960530490387
Energy: 1.3637102247360455
Energy: 1.3833996914365154
Energy: 1.3798064322474648
Energy: 1.3548932017971054
Energy: 1.384656613933893
Energy: 1.386940821201265
Energy: 1.388249037095621
Energy: 1.3696645157056226
Energy: 1.3750912744960742
Energy: 1.3740984065401496
Energy: 1.3778518488905342
Energy: 1.3671308701508045
Energy: 1.3706646019789808
Energy: 1.3703416095913716
Energy: 1.3758774044236939
Energy: 1.3764985666226635
Energy: 1.3694275220606265
Energy: 1.3712481288165868
Energy: 1.3675278797269093
Energy: 1.3603688244923013
Energy: 1.3553751602029556
Energy: 1.378297995193294
Energy: 1.3563384655809831
Energy: 1.3679859529029916
Energy: 1.3620757398805265
Energy: 1.3782216932116205
Energy: 1.3701737780422014
Energy: 1.3756782843899373
Energy: 1.3692193393187562
Energy: 1.3612908584062076
Energy: 1.3677262812851854
Energy: 1.3707751745395969
Energy: 1.4019838235198439
Energy: 1.3688982453354717
Energy: 1.3747719497553226
Energy: 1.3674811541079428
Energy: 1.372896496459118
Energy: 1.3776136551740832
Energy: 1.3688102927841106
Energy: 1.3670385506390428
Energy: 1.3732080716498818
Energy: 1.3762414073628044
Energy: 1.3734495749838649
Energy: 1.366241062906891
Energy: 1.3683460609474192
Energy: 1.3733102972717441
Energy: 1.3710690344745862
Energy: 1.3774579097470698
Energy: 1.3795006260812417
Energy: 1.368219487496144
Energy: 1.3678776004927857
Energy: 1.3561976221635952
Energy: 1.3608907034022837
Energy: 1.3819675335351724
Energy: 1.3681562329859807
Energy: 1.3670213870007717
Energy: 1.3571248978166235
Energy: 1.3601719011971192
Energy: 1.3702164102537662
Energy: 1.378466931538421
Energy: 1.3697207103461497
Energy: 1.3774600653248148
Energy: 1.3800491404379145
Energy: 1.3736576425324265
Energy: 1.3794881265800565
Energy: 1.371962130721691
Energy: 1.366187408065316
Energy: 1.3762462815761318
Energy: 1.4002750726644977
Energy: 1.3785859143128407
Energy: 1.3660126800882406
Energy: 1.3674392291839135
Energy: 1.366368091980922
Energy: 1.3740542991613085
Energy: 1.3767128618217324
Energy: 1.3658605985614858
Energy: 1.390062770797131
Energy: 1.36586191673343
Energy: 1.3750330918204399
Energy: 1.380922795922519
Energy: 1.3661208982219355
Energy: 1.3622457008597366
Energy: 1.3759479705597715
Energy: 1.3696472725799347
Energy: 1.3826236331714035
Energy: 1.368307354955542
Energy: 1.36068720546841
Energy: 1.3779161848661123
Energy: 1.3773439754410923
Energy: 1.3742459110082508
Energy: 1.3938076821170524
Energy: 1.3821935961852605
Energy: 1.3763507847628802
Energy: 1.3774221097657684
Energy: 1.3734307063085638
Energy: 1.3761131076404827
Energy: 1.3786165072151924
Energy: 1.3790499983416793
Energy: 1.3877121582961895
Energy: 1.3573206621947373
Energy: 1.3655477772844633
Energy: 1.3892520249935507
Energy: 1.3716036351735863
Energy: 1.378291522099639
Energy: 1.3664169440124445
Energy: 1.365977014845687
Energy: 1.3870494358788623
Energy: 1.3677951663401227
Energy: 1.3808521585628017
Energy: 1.3452315473104828
Energy: 1.3535802068023937
Energy: 1.3844154126525197
Energy: 1.3772925766738355
Energy: 1.3771298234688842
Energy: 1.3455854887677527
Energy: 1.3548377184569138
Energy: 1.38305899052318
Energy: 1.3771731995992436
Energy: 1.3931141102685998
Energy: 1.367931054227551
Energy: 1.3785644857982962
Energy: 1.369320700027255
Energy: 1.3775608768201233
Energy: 1.384684164865944
Energy: 1.5231283830017837
Energy: 1.3782538646584905
Energy: 1.370722306567309
Energy: 1.3779071600478445
Energy: 1.3658767766205748
Energy: 1.3674131252355464
Energy: 1.3887747958969348
Energy: 1.3901987682003516
Energy: 1.3935251311901728
Energy: 1.3732445294608184
Energy: 1.3690856271721523
Energy: 1.3878847321123478
Energy: 1.3887946619149532
Energy: 1.3763251434546975
Energy: 1.372508070840123
Energy: 1.3750344287431058
Energy: 1.3738196853297007
Energy: 1.370680310306131
Energy: 1.3849508770056793
Energy: 1.3673640509985023
Energy: 1.3746647193596389
Energy: 1.3714060931239858
Energy: 1.3842646509569076
Energy: 1.3864521356395105
Energy: 1.374372321496771
Energy: 1.3812897782941345
Energy: 1.3906360294357143
Energy: 1.3847702633012882
Energy: 1.3887126381324357
Energy: 1.3718590200184224
Energy: 1.3802090826625197
Energy: 1.3862520866450976
Energy: 1.39324867034411
Energy: 1.3885491689389056
Energy: 1.3695873608634734
Energy: 1.3870031106545038
Energy: 1.3781489321724423
Energy: 1.3870809343882382
Energy: 1.3622136126303896
Energy: 1.431322712813554
Energy: 1.388989957192333
Energy: 1.3786918152267722
Energy: 1.3864800272501614
Energy: 1.3624728129096202
Energy: 1.3643830524455927
Energy: 1.3787999956003452
Energy: 1.3839186801143226
Energy: 1.3726868142188733
Energy: 1.3819311812957291
Energy: 1.3624326035269527
Energy: 1.3772002967930905
Energy: 1.3736798225357871
Energy: 1.3777820560914156
Energy: 1.3843081890212274
Energy: 1.380816852935401
Energy: 1.3760781236489872
Energy: 1.3808505637635275
Energy: 1.3794995978153635
Energy: 1.3571728261932805
Energy: 1.3859982912033257
Energy: 1.3793227451035506
Energy: 1.3788574560081517
Energy: 1.3812859821650896
Energy: 1.3605245415072251
Energy: 1.3621768621504198
Energy: 1.3697171771810566
Energy: 1.36182605485617
Energy: 1.3785470934376927
Energy: 1.379441165320133
Energy: 1.380549113178873
Energy: 1.3700834376170163
Energy: 1.371891720808147
Energy: 1.3796755094565996
Energy: 1.3761822095876592
Energy: 1.373153524004835
Energy: 1.3723104735634226
Energy: 1.3561667379557978
Energy: 1.3826357029258496
Energy: 1.3717899427740694
Energy: 1.3735407260805792
Energy: 1.3626943949629096
Energy: 1.3551460887218973
Energy: 1.3687432044849412
Energy: 1.3728420781978874
Energy: 1.3683960826809078
Energy: 1.3730260063171547
Energy: 1.3721631480965117
Energy: 1.3571197924449276
Energy: 1.3734339811195833
Energy: 1.3704086202165244
Energy: 1.3726363742418382
Energy: 1.3741731935523425
Energy: 1.358199258203268
Energy: 1.3723657353181689
Energy: 1.369069922386348
Energy: 1.3629317983725568
Energy: 1.3716674560391753
Energy: 1.3597536277984958
Energy: 1.3727363140045177
Energy: 1.3558611930451572
Energy: 1.3649959595235046
Energy: 1.3722777596091802
Energy: 1.3597856833063258
Energy: 1.3710863133146438
Energy: 1.373162069068151
Energy: 1.3592425468189784
Energy: 1.3691278753752858
Energy: 1.3957030169165625
Energy: 1.3705139668114559
Energy: 1.372902896359804
Energy: 1.35877529892025
Energy: 1.3697550823143545
Energy: 1.379478652474143
Energy: 1.3681747050799538
Energy: 1.3766015637867353
Energy: 1.385108988165137
Energy: 1.357764501924707
Energy: 1.3686962003591179
Energy: 1.3766058692922694
Energy: 1.373097203303975
Energy: 1.383143827906154
Energy: 1.3577644253285948
Energy: 1.380204767506839
Energy: 1.3766854510591662
Energy: 1.3665596323942237
Energy: 1.37941532081364
Energy: 1.3765770742913803
Energy: 1.373860309561835
Energy: 1.359171511286526
Energy: 1.3688087218527427
Energy: 1.377344693375324
Energy: 1.3734271827546514
Energy: 1.3742713989496296
Energy: 1.357396222507851
Energy: 1.362007859409547
Energy: 1.3732630902488008
Energy: 1.3781428572583045
Energy: 1.3793093980691071
Energy: 1.3742738880906362
Energy: 1.3731859322141258
Energy: 1.3733842594235648
Energy: 1.3798026333796831
Energy: 1.3781681082745518
Energy: 1.3771440410095537
Energy: 1.371799499523148
Energy: 1.379140393344231
Energy: 1.3846947538518053
Energy: 1.3755968198114383
Energy: 1.3588232084373932
Energy: 1.3695845832320268
Energy: 1.3798509742421867
Energy: 1.3831362754960794
Energy: 1.3760394045409925
Energy: 1.3589076820705512
Energy: 1.3582980311785307
Energy: 1.3795093607867102
Energy: 1.3711000018073298
Energy: 1.3764053487186056
Energy: 1.3908971334918658
Energy: 1.3700877565803053
Energy: 1.3619961899147128
Energy: 1.371216421878299
Energy: 1.3762631862467887
Energy: 1.3728188448418301
Energy: 1.3757608247795483
Energy: 1.397612541101173
Energy: 1.3722012895448228
Energy: 1.3689053292220068
Energy: 1.3694090266480416
Energy: 1.3744340146408127
Energy: 1.376330589402736
Energy: 1.3717270822471044
Energy: 1.3662791395683738
Energy: 1.3727099101161897
Energy: 1.3808856973729464
Energy: 1.36907718022804
Energy: 1.3652135390983455
Energy: 1.3524449631155948
Energy: 1.3517955633926115
Energy: 1.3812176986223599
Energy: 1.3676701139223053
Energy: 1.3746095375306853
Energy: 1.3526224041591592
Energy: 1.364152476115144
Energy: 1.3917761598603366
Energy: 1.3827909335354638
Energy: 1.3816019065294036
Energy: 1.3531336581780236
Energy: 1.3666298532648211
Energy: 1.39187571646954
Energy: 1.383670407480005
Energy: 1.3813168141161656
Energy: 1.3526882028724676
Energy: 1.3659583140383214
Energy: 1.375306819636423
Energy: 1.3753994616026992
Energy: 1.3920253863648986
Energy: 1.3805238482449778
Energy: 1.3818198491954183
Energy: 1.3878186708978169
Energy: 1.3749223465334122
Energy: 1.3924373561259418
Energy: 1.383555519041714
Energy: 1.3828709072789278
Energy: 1.3710733396225143
Energy: 1.3876750828228885
Energy: 1.3590319197036942
Energy: 1.363221822961629
Energy: 1.3859004150600882
Energy: 1.3726607069333345
Energy: 1.387247317756269
Energy: 1.3616315370032757
Energy: 1.3658372228117899
Energy: 1.3852831485150667
Energy: 1.372251322341309
Energy: 1.3868155274484815
Energy: 1.3787689808202164
Energy: 1.3790434486874565
Energy: 1.3843190760922162
Energy: 1.3732669020421826
Energy: 1.3781488128438537
Energy: 1.356408885799463
Energy: 1.378508430084944
Energy: 1.3877003260854404
Energy: 1.3722115308339464
Energy: 1.389142311656882
Energy: 1.4096458427535075
Energy: 1.3782306758889105
Energy: 1.3940867633539007
Energy: 1.3784461984190466
Energy: 1.3868954582476194
Energy: 1.3884320772201353
Energy: 1.3768157744987186
Energy: 1.3925274816565472
Energy: 1.3902876038214014
Energy: 1.3595231836242028
Energy: 1.3586246764112615
Energy: 1.387662105381879
Energy: 1.3844352858157796
Energy: 1.3883010115854175
Energy: 1.3589078929456717
Energy: 1.3565866652281404
Energy: 1.3856056309940017
Energy: 1.3862484881898465
Energy: 1.3734232086623044
Energy: 1.3643110839199848
Energy: 1.3812477355667983
Energy: 1.3882530063917031
Energy: 1.3759361840959303
Energy: 1.3727821576655799
Energy: 1.416493460424629
Energy: 1.3810472917519887
Energy: 1.384132281266149
Energy: 1.3788640636134437
Energy: 1.3869252684950069
Energy: 1.3621256632872767
Energy: 1.3731119257282485
Energy: 1.3769275600457231
Energy: 1.3826801752375038
Energy: 1.3836104948556258
Energy: 1.3665390766618197
Energy: 1.372123437858892
Energy: 1.3779422348513621
Energy: 1.3787934812266178
Energy: 1.371697938149575
Energy: 1.3574054404664577
Energy: 1.382790893990889
Energy: 1.3565625691684462
Energy: 1.3692145030365532
Energy: 1.3568785228481746
Energy: 1.356799068910495
Energy: 1.4020061028871535
Energy: 1.3579363955744932
Energy: 1.370900468522882
Energy: 1.3780653268642686
Energy: 1.3693123857132488
Energy: 1.3714808846494106
Energy: 1.3619202624052027
Energy: 1.3666238826843982
Energy: 1.371801383099718
Energy: 1.3692188608857436
Energy: 1.3719808344530389
Energy: 1.3665326714304025
Energy: 1.3665074475806054
Energy: 1.3878661393390228
Energy: 1.3719354668895463
Energy: 1.3665492369856589
Energy: 1.3789504905187562
Energy: 1.402158009438496
Energy: 1.3683999134582563
Energy: 1.3705707509582539
Energy: 1.3663707678270274
Energy: 1.3525756984076616
Energy: 1.3708287410915965
Energy: 1.376850002233341
Energy: 1.380107385898802
Energy: 1.3663223195661278
Energy: 1.364016878214151
Energy: 1.3673130994004161
Energy: 1.3596723516598848
Energy: 1.380493247563559
Energy: 1.3673790273794697
Energy: 1.3610415784134045
Energy: 1.3657500475603073
Energy: 1.3709629791685085
Energy: 1.3691618318465726
Energy: 1.3743181382642204
Energy: 1.3681423491600617
Energy: 1.3684444023991968
Energy: 1.3691014852469818
Energy: 1.3663463167814185
Energy: 1.352570918460335
Energy: 1.3685399134059897
Energy: 1.3833300152289447
Energy: 1.3751520504034427
Energy: 1.3912419501091706
Energy: 1.3698679814492396
Energy: 1.3681186190891352
Energy: 1.3707117185389994
Energy: 1.369059835858845
Energy: 1.3706623188466964
Energy: 1.3684883491975848
Energy: 1.3502395794950588
Energy: 1.4123429341832132
Energy: 1.3674774197896744
Energy: 1.3571726514218574
Energy: 1.3549019900236472
Energy: 1.372262170458112
Energy: 1.3860412745131065
Energy: 1.3686275613998358
Energy: 1.3601422455854502
Energy: 1.3546079814401544
Energy: 1.3772335639670341
Energy: 1.3844021229816854
Energy: 1.375137172283704
Energy: 1.3683849406098179
Energy: 1.3707058067028217
Energy: 1.3782321234463362
Energy: 1.3838763774810883
Energy: 1.3772108938241574
Energy: 1.4221873131575289
Energy: 1.3685084179048803
Energy: 1.3660337149873658
Energy: 1.3757763646562355
Energy: 1.378088120129808
Energy: 1.35780014001456
Energy: 1.377417492255794
Energy: 1.3926455023314732
Energy: 1.3736753952176914
Energy: 1.3747005612106304
Energy: 1.3645055641962156
Energy: 1.359544997651867
Energy: 1.3660618257346022
Energy: 1.3698043398644522
Energy: 1.3678062537908096
Energy: 1.3587640151466558
Energy: 1.371131047556399
Energy: 1.3720477265681819
Energy: 1.3633760599778681
Energy: 1.3677301598075953
Energy: 1.3670401370141108
Energy: 1.3674711623227038
Energy: 1.3748520908272923
Energy: 1.3656741390974685
Energy: 1.3772227994142618
Energy: 1.3670879358595007
Energy: 1.3594355473435193
Energy: 1.3701969422271523
Energy: 1.371793893425756
Energy: 1.365195162273735
Energy: 1.3702341563123799
Energy: 1.3651317423739062
Energy: 1.3723795158109604
Energy: 1.371798102824698
Energy: 1.36101067973404
Energy: 1.371827708403923
Energy: 1.382620907196763
Energy: 1.3602352304075598
Energy: 1.3581334160687841
Energy: 1.377820137044754
Energy: 1.372432934948227
Energy: 1.36945233507314
Energy: 1.374588731574221
Energy: 1.368927248815029

minimum gb energy = 1.3452315473104828 eV
minimum distance =  2.28224873892599 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.8379514657130824
Energy: 1.886822751265578
Energy: 1.8824936525269358
Energy: 1.8658176051033633
Energy: 1.8407804362848381
Energy: 1.836111066542847
Energy: 1.8682958817793864
Energy: 1.8843177682502066
Energy: 1.8668375997411577
Energy: 1.8834132906802943
Energy: 1.8870284183891455
Energy: 1.854202924498974
Energy: 1.8549491279243346
Energy: 1.8503888910421575
Energy: 1.9005449006733057
Energy: 1.874298094978207
Energy: 1.8550992453401725
Energy: 1.8529237593890324
Energy: 1.8522413369348256
Energy: 1.9003080114538677
Energy: 1.9014616959196988
Energy: 1.854370968249072
Energy: 1.84748077313755
Energy: 1.8856601875351644
Energy: 1.878275646661943
Energy: 1.8745763850928525
Energy: 1.8558296485311658
Energy: 1.8475462844491966
Energy: 1.8842382574410528
Energy: 1.8786312561335192
Energy: 1.889497692793769
Energy: 1.901857819766984
Energy: 1.8558103188503714
Energy: 1.8714389500052278
Energy: 1.8766062999904587
Energy: 1.8731661390411305
Energy: 1.902160143728157
Energy: 1.857814480904039
Energy: 1.8703086066341776
Energy: 1.8730287946848354
Energy: 1.8706944024355603
Energy: 1.8662971766733552
Energy: 1.8437223225156132
Energy: 1.8712245736246524
Energy: 1.8721865632725423
Energy: 1.8704640854462637
Energy: 1.8435091440397575
Energy: 1.8433900818848314
Energy: 1.8706927772477242
Energy: 1.8724403336664528
Energy: 1.8892295449701557
Energy: 1.876193407861663
Energy: 1.857596811811483
Energy: 1.891733710714397
Energy: 1.8956963327266387
Energy: 1.8861843033514234
Energy: 1.8749635378620864
Energy: 1.8549645348377333
Energy: 1.8949536136960017
Energy: 1.9019272177808122
Energy: 1.839450462269027
Energy: 1.8489283524006974
Energy: 1.9012423996416714
Energy: 1.9294547442061991
Energy: 1.8615622906967952
Energy: 1.8420079329582364
Energy: 1.852016206341861
Energy: 1.90158140273046
Energy: 1.8787556818988245
Energy: 1.863809007346253
Energy: 1.9014919388440834
Energy: 1.8448191681078725
Energy: 1.8572955634076715
Energy: 1.868808706104794
Energy: 1.8758957177842381
Energy: 1.8930694486750719
Energy: 1.8415747449187545
Energy: 1.8553199112919705
Energy: 1.873049008658628
Energy: 1.877560117513288
Energy: 1.887007538271058
Energy: 1.8821945894848666
Energy: 1.856478368759696
Energy: 1.8558438803371775
Energy: 1.8726665389761448
Energy: 1.8817630820551643
Energy: 1.884990818922746
Energy: 1.8568538349830248
Energy: 1.8601711794420726
Energy: 1.871736201557319

minimum gb energy = 1.836111066542847 eV
minimum distance =  2.31171771132339 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.08384484314979
Energy: 2.0931248951619454
Energy: 2.1801130942048363
Energy: 2.096585621862205
Energy: 2.1376825794454537
Energy: 2.0721656813737104
Energy: 2.106793293118039
Energy: 2.129975374405118
Energy: 2.107108386643339
Energy: 2.1337542767210964
Energy: 2.0997901793174574
Energy: 2.1111558561250083
Energy: 2.1056472702008318
Energy: 2.092074423350393
Energy: 2.112129502850993
Energy: 2.1059645820164357
Energy: 2.1004409528610632
Energy: 2.0948645195017477
Energy: 2.0919960048178377
Energy: 2.1124388188115786
Energy: 2.1225877145790446
Energy: 2.1090229672295955
Energy: 2.109615819734039
Energy: 2.1108834067835778
Energy: 2.1399891692680173
Energy: 2.1662727045375076
Energy: 2.0915040313838817
Energy: 2.106022199173141
Energy: 2.0943357742285715
Energy: 2.140100420174448
Energy: 2.1266788112858537
Energy: 2.181541746978561
Energy: 2.101639566796086
Energy: 2.1570715462034453
Energy: 2.0765576798780914
Energy: 2.1100095718485563
Energy: 2.1695085288383447
Energy: 2.1057273901276665
Energy: 2.140718104930218
Energy: 2.141810151348707
Energy: 2.1597767625510853
Energy: 2.0941178176453703
Energy: 2.101265810130442
Energy: 2.10901559326448
Energy: 2.1016444373108776
Energy: 2.16024903973606
Energy: 2.0927670677016583
Energy: 2.08366758825602
Energy: 2.1099760757780004
Energy: 2.104278179170662
Energy: 2.10870392806617
Energy: 2.104659519233715
Energy: 2.0903191657591185
Energy: 2.127171460956439
Energy: 2.110020365911742
Energy: 2.107096516664274
Energy: 2.10562794961863
Energy: 2.183039947988162
Energy: 2.1280809937095913
Energy: 2.1140165602770202
Energy: 2.253059299153229
Energy: 2.0929982068744883
Energy: 2.105387892335952
Energy: 2.104810087158577
Energy: 2.1085718470362487
Energy: 2.113504387086214
Energy: 2.1006522371812864
Energy: 2.10590774485198
Energy: 2.1115986516712852
Energy: 2.115890078026316
Energy: 2.1333449311993635
Energy: 2.106798798698594
Energy: 2.1031978355851018
Energy: 2.152154321406388
Energy: 2.1244714695863736
Energy: 2.0980245951875314
Energy: 2.1071629836868375
Energy: 2.1021911023039705
Energy: 2.150226345870082
Energy: 2.130661049742186
Energy: 2.09498974283517
Energy: 2.1465603101336446
Energy: 2.1296538972561607
Energy: 2.108059931719667
Energy: 2.2107163444850104
Energy: 2.0912665629487956
Energy: 2.1754943627797703
Energy: 2.1023650366198186
Energy: 2.186385562906727
Energy: 2.2205780964255997
Energy: 2.1210876570021497
Energy: 2.1236585592783
Energy: 2.134158107560386
Energy: 2.0950721100901344
Energy: 2.1297505163707187
Energy: 2.104372703731251
Energy: 2.1277659275231415
Energy: 2.1283155787026966
Energy: 2.12068468165052
Energy: 2.1342475967609933
Energy: 2.079703527580162
Energy: 2.153832940766069
Energy: 2.0808670266591642
Energy: 2.078557661940572
Energy: 2.1257420560746954
Energy: 2.0782518086991018
Energy: 2.159046225451463
Energy: 2.0818971552008354
Energy: 2.0792638718104315
Energy: 2.1525610312657033
Energy: 2.0904637186255917
Energy: 2.0805503453589065
Energy: 2.171930236802846
Energy: 2.138681752413064
Energy: 2.0781596294749014
Energy: 2.091738264667588
Energy: 2.0790709663028486
Energy: 2.1703961189507925
Energy: 2.1209476590307403
Energy: 2.0785556066027002
Energy: 2.0798881046005966
Energy: 2.2126086933035087
Energy: 2.0860158134855067
Energy: 2.1122830045796173
Energy: 2.084821209697654
Energy: 2.083678487910314
Energy: 2.2353817281790422
Energy: 2.1009981866139764
Energy: 2.1148085080661114
Energy: 2.0893315799750902
Energy: 2.1114420359459665
Energy: 2.1238803892193685
Energy: 2.2027070444102197
Energy: 2.1681949262732245
Energy: 2.219165849873854
Energy: 2.104419458810838
Energy: 2.121676870569782
Energy: 2.180647793522614
Energy: 2.095957970917752
Energy: 2.2180965828229104
Energy: 2.0954389046659414
Energy: 2.161752485111612
Energy: 2.0996954501797784
Energy: 2.1180372027868315
Energy: 2.0973748560365153
Energy: 2.171242276489506
Energy: 2.164297126817299
Energy: 2.1456019951424157
Energy: 2.1248349919226377
Energy: 2.210691449640803
Energy: 2.0936945559087383
Energy: 2.1110431496950723
Energy: 2.0969726802345354
Energy: 2.1445843263049325
Energy: 2.1102613607034493
Energy: 2.092911914173733
Energy: 2.111879635775251
Energy: 2.09534867989252
Energy: 2.1213574039393546
Energy: 2.112109634604886
Energy: 2.0960098544056964
Energy: 2.1491490543869354
Energy: 2.115000197872354
Energy: 2.0721158409374523
Energy: 2.129983519110761
Energy: 2.099031893872919
Energy: 2.212700634545925
Energy: 2.1174282974797705
Energy: 2.0927093704062596
Energy: 2.1317611987947895
Energy: 2.091563301689202
Energy: 2.1101949971875587
Energy: 2.092849848910167
Energy: 2.1304922369847623
Energy: 2.119654121221246
Energy: 2.0926839047441206
Energy: 2.110668629921872
Energy: 2.094269775792401
Energy: 2.1207401727288278
Energy: 2.09634143769549
Energy: 2.1177620999328344
Energy: 2.1069247901094657
Energy: 2.1349818186566547
Energy: 2.1039681452061036
Energy: 2.1112077417414876
Energy: 2.12228742936268
Energy: 2.1076000963908403
Energy: 2.121562593353131
Energy: 2.109648704923863
Energy: 2.0971104834792094
Energy: 2.077922202841627
Energy: 2.2035020330704733
Energy: 2.081836297919096
Energy: 2.0889207983259808
Energy: 2.1735213204665826
Energy: 2.079087655826631
Energy: 2.2278713872861333
Energy: 2.0737190771069223
Energy: 2.0735446502702524
Energy: 2.188210023918964
Energy: 2.083742645566954
Energy: 2.12790447263337
Energy: 2.1054517866280813
Energy: 2.111646224795236
Energy: 2.1611509465667087
Energy: 2.0918411155225964
Energy: 2.128221054397301
Energy: 2.105196732837898
Energy: 2.163330514679274
Energy: 2.110772229440442
Energy: 2.0936211227770016
Energy: 2.1253534150356197
Energy: 2.1101010237433857
Energy: 2.1051658091590504
Energy: 2.144852192475439
Energy: 2.093542424551083
Energy: 2.1248588981250385
Energy: 2.1086215291841284
Energy: 2.1065330130904987
Energy: 2.142213436194168
Energy: 2.133573289329272
Energy: 2.105633555167707
Energy: 2.116246795874941
Energy: 2.135974774707476
Energy: 2.1097496084573
Energy: 2.135569652949955
Energy: 2.107431270370259
Energy: 2.1188660266465287
Energy: 2.1365847305154806
Energy: 2.1032340943264574
Energy: 2.1112100443423665
Energy: 2.151152460359117
Energy: 2.140561990102896
Energy: 2.1128707144395644
Energy: 2.102686776196954
Energy: 2.1236260399604134
Energy: 2.126420890061426
Energy: 2.1241069935335397
Energy: 2.112283518667848
Energy: 2.1044486763342727
Energy: 2.1497508223495134
Energy: 2.1207873678016687
Energy: 2.1833662211293308
Energy: 2.1207257305491285
Energy: 2.141524271487348
Energy: 2.1496546028707826
Energy: 2.1259707888123094
Energy: 2.203552897471427
Energy: 2.125003892731979
Energy: 2.1413563918811156
Energy: 2.1561209943109123
Energy: 2.1711601371607965
Energy: 2.145328679797832
Energy: 2.105645409987922
Energy: 2.0901655168299293
Energy: 2.2024201618370793
Energy: 2.1676049906140253
Energy: 2.145422918984599
Energy: 2.1055937489423426
Energy: 2.133874015729662
Energy: 2.2138093006164996
Energy: 2.1010057593386087
Energy: 2.178796356120466
Energy: 2.0970383737154012
Energy: 2.128782288497047
Energy: 2.1479651347553146
Energy: 2.0838750514646383
Energy: 2.1689874202617436
Energy: 2.091352421377394
Energy: 2.1527925180194742
Energy: 2.094537134736275
Energy: 2.1181081979033105
Energy: 2.084407842487974
Energy: 2.0937519930937625
Energy: 2.0868123263699827
Energy: 2.096138932236001
Energy: 2.122247074053634
Energy: 2.0827059782505866
Energy: 2.092087278489028
Energy: 2.082237071194209
Energy: 2.099557220045164
Energy: 2.1270902166308545
Energy: 2.083128196619622
Energy: 2.080386271194517
Energy: 2.108855998343812
Energy: 2.1047276437205884
Energy: 2.1186118155958993
Energy: 2.0812668176514344
Energy: 2.0811941334765307
Energy: 2.1764425270286107
Energy: 2.139762462416091
Energy: 2.251248810183125
Energy: 2.1908674590812938
Energy: 2.125031107027214
Energy: 2.1267006518266407
Energy: 2.1348322885101405
Energy: 2.2468808328437064
Energy: 2.210033707728394
Energy: 2.1213807702786394
Energy: 2.1409689799244633
Energy: 2.0953610694705715
Energy: 2.151956018962863
Energy: 2.095452992485657
Energy: 2.0861377691646465
Energy: 2.1621986695281135
Energy: 2.0971000248607634
Energy: 2.112292473415228
Energy: 2.0808030228261263
Energy: 2.0891091250506544
Energy: 2.1598948300155842
Energy: 2.095654078252957
Energy: 2.1269962745779067
Energy: 2.1110784873341406
Energy: 2.1230765097382225
Energy: 2.2053463222907763
Energy: 2.095090023548242
Energy: 2.1517323004771085
Energy: 2.1095635337866696
Energy: 2.0998823540535523
Energy: 2.1119358388201355
Energy: 2.216732584785117
Energy: 2.1471359386300977
Energy: 2.0682149250976427
Energy: 2.1100236130962213
Energy: 2.16958311203625
Energy: 2.224040350704683
Energy: 2.146584874285365
Energy: 2.0670284842903244
Energy: 2.110654310232347
Energy: 2.1952626467939163
Energy: 2.093128810367304
Energy: 2.1151379554646783
Energy: 2.1269512208636256
Energy: 2.089952058940235
Energy: 2.109488494072874
Energy: 2.0953478660804663
Energy: 2.0913637185291214
Energy: 2.186828497498399
Energy: 2.0904496310699483
Energy: 2.1112546543047426
Energy: 2.1325537824357657
Energy: 2.10127697177756
Energy: 2.1845771068748334
Energy: 2.0932579295037104
Energy: 2.10833560295677
Energy: 2.165706774674156
Energy: 2.108526324199979
Energy: 2.1232015985494987
Energy: 2.113542266725539
Energy: 2.111769306296363
Energy: 2.1353329587418464
Energy: 2.0785948415880227
Energy: 2.1730600438443686
Energy: 2.0974204626689867
Energy: 2.1460549870108827
Energy: 2.1231943550664214
Energy: 2.075489627675464
Energy: 2.1753774188403767
Energy: 2.092750607552203
Energy: 2.1483424077144493
Energy: 2.124514239827542
Energy: 2.1063544661900737
Energy: 2.153448758294937
Energy: 2.0706913769833615
Energy: 2.150278170632089
Energy: 2.13709466789425
Energy: 2.107080015797519
Energy: 2.1531754088429964
Energy: 2.070578144446618
Energy: 2.1531358892835954
Energy: 2.112722004179074
Energy: 2.1069259561735874
Energy: 2.194928726617982
Energy: 2.120093480432939
Energy: 2.148022213729817
Energy: 2.109893629566008
Energy: 2.1065219773965262
Energy: 2.1874943158971454
Energy: 2.095123756481603
Energy: 2.139158032621569
Energy: 2.1103460786773227
Energy: 2.1234173657091655
Energy: 2.1587348839123077
Energy: 2.109023334261978
Energy: 2.109709631313226
Energy: 2.1305078482752378
Energy: 2.1080732011358223
Energy: 2.1486737940921814
Energy: 2.105335233777037
Energy: 2.109017834415012
Energy: 2.1816438455773715
Energy: 2.117306230704937
Energy: 2.0946602325830357
Energy: 2.1142092513381665
Energy: 2.1683867108758834
Energy: 2.1899151763263425
Energy: 2.1229983497743516
Energy: 2.1026671148578573
Energy: 2.1300354470410157
Energy: 2.1752832193855096
Energy: 2.13913561398885
Energy: 2.195215002290293
Energy: 2.1229848927657375
Energy: 2.1752704182956633
Energy: 2.121346926872928
Energy: 2.1343454614937802
Energy: 2.1578539855534116
Energy: 2.1225011043287
Energy: 2.123783381771877
Energy: 2.1188507680269195
Energy: 2.182503859334353
Energy: 2.097835631589074
Energy: 2.113599646067979
Energy: 2.137267808335413
Energy: 2.1085357726679854
Energy: 2.0964765556434615
Energy: 2.1070727126162754
Energy: 2.1126932945994596
Energy: 2.157280845913076
Energy: 2.1248402541104414
Energy: 2.141712465198002
Energy: 2.1379734835011672
Energy: 2.136491967393514
Energy: 2.2026332351338276
Energy: 2.140902024719123
Energy: 2.1573163039551737
Energy: 2.140176777850774
Energy: 2.170794990334528
Energy: 2.1666043735631453
Energy: 2.0807717661223895
Energy: 2.1240215876684725
Energy: 2.0816513537483536
Energy: 2.0856680512199786
Energy: 2.1468989124430804
Energy: 2.0755060016996265
Energy: 2.0835581611018177
Energy: 2.0814191141425846
Energy: 2.0822391810869654
Energy: 2.16829350242435
Energy: 2.074992623975214
Energy: 2.0854990946676146
Energy: 2.0850430573067515
Energy: 2.088468662475426
Energy: 2.1076636609704638
Energy: 2.1232694281655697
Energy: 2.082323390013919
Energy: 2.085207637311788
Energy: 2.087886014474532
Energy: 2.1057140505075607
Energy: 2.1242470421922874
Energy: 2.123742030485164
Energy: 2.1111686466855906
Energy: 2.1454567860821143
Energy: 2.0741734735978308
Energy: 2.135291172894822
Energy: 2.108590989109366
Energy: 2.1190182438807565
Energy: 2.135899861450286
Energy: 2.0756601861672817
Energy: 2.1390369807177465
Energy: 2.1222393736907295
Energy: 2.074276870471276
Energy: 2.1257178441185256
Energy: 2.160336397869562
Energy: 2.187212676894353
Energy: 2.0943666749595184
Energy: 2.0864292343150175
Energy: 2.1561055932773825
Energy: 2.1632837316630793
Energy: 2.186374344336802
Energy: 2.1075694471573176
Energy: 2.159966816506483
Energy: 2.0973799118702887
Energy: 2.1218530273669294
Energy: 2.138048975178479
Energy: 2.086651788135806
Energy: 2.164104165478569
Energy: 2.1147911538643878
Energy: 2.1341451983895188
Energy: 2.15162551566834
Energy: 2.0667820734921025
Energy: 2.106125208330299
Energy: 2.1241348839537997
Energy: 2.096889685545649
Energy: 2.099006834253886
Energy: 2.065008366243584
Energy: 2.10299190020162
Energy: 2.1105099528790063
Energy: 2.119479434243797
Energy: 2.0910473702291434

minimum gb energy = 2.065008366243584 eV
minimum distance =  2.27976293590363 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 2.06277583767855
Energy: 2.129786160224647
Energy: 2.136672421215464
Energy: 2.0698566647936425
Energy: 2.0688621849650883
Energy: 2.0561618135937256
Energy: 2.1270015874091555
Energy: 2.1375059354291244
Energy: 2.117500148004093
Energy: 2.0725553110664787
Energy: 2.06636157015073
Energy: 2.069394319746392
Energy: 2.072725199554196
Energy: 2.0720782846484043
Energy: 2.1315266603928493
Energy: 2.0695340493864816
Energy: 2.0703876771068015
Energy: 2.0730934129820864
Energy: 2.0709121537964665
Energy: 2.067909476599252
Energy: 2.131528297752393
Energy: 2.0735450566377462
Energy: 2.069935438004502
Energy: 2.167845396198197
Energy: 2.137411162969542
Energy: 2.132817974489277
Energy: 2.0723228496349173
Energy: 2.0693920335000278
Energy: 2.1678588202796205
Energy: 2.134263684448434
Energy: 2.124913883833118
Energy: 2.116408918818899
Energy: 2.0584485242035053
Energy: 2.1334026478523227
Energy: 2.06723985560838
Energy: 2.1234645510362267
Energy: 2.1635819950075885
Energy: 2.05895591631743
Energy: 2.131877036568202
Energy: 2.136666996708377
Energy: 2.16120225700406
Energy: 2.0587931744509484
Energy: 2.0604964018095964
Energy: 2.0698864619104835
Energy: 2.0691604326783364
Energy: 2.1618659876764728
Energy: 2.057770871391583
Energy: 2.058216166745384
Energy: 2.1686466315308754
Energy: 2.0692531651365136
Energy: 2.071917954955404
Energy: 2.1170090902644985
Energy: 2.1302432594508405
Energy: 2.1223269190146143
Energy: 2.0675610621252134
Energy: 2.0733515523380466
Energy: 2.1405496146886738
Energy: 2.1218801943472765
Energy: 2.121621168330297
Energy: 2.0678079846279793
Energy: 2.1185224667992673
Energy: 2.067804756419151
Energy: 2.1205167433766685
Energy: 2.0697902777696915
Energy: 2.069257427831118
Energy: 2.0688306073229126
Energy: 2.068384511007661
Energy: 2.0757681953590224
Energy: 2.0710860086971326
Energy: 2.1257504549586392
Energy: 2.119349196238658
Energy: 2.067870650483997
Energy: 2.1769465793471428
Energy: 2.170036625785458
Energy: 2.0695011555545766
Energy: 2.08035340605807
Energy: 2.066138571784009
Energy: 2.0698951257624607
Energy: 2.169421486747734
Energy: 2.070608131238974
Energy: 2.1375842930089552
Energy: 2.0715846786337964
Energy: 2.1752005240791337
Energy: 2.068832278779374
Energy: 2.2339374833266064
Energy: 2.135772567215419
Energy: 2.073810723837015
Energy: 2.0731186441962017
Energy: 2.067557585938139
Energy: 2.236409580448314
Energy: 2.1120440701125043
Energy: 2.0693681471582197
Energy: 2.106876386281895
Energy: 2.0692525894760103
Energy: 2.070704497272315
Energy: 2.1200472335792027
Energy: 2.1777251285558137
Energy: 2.0665159057554794
Energy: 2.068418565507952
Energy: 2.0703989912948133
Energy: 2.1689493004873652
Energy: 2.1178310490538443
Energy: 2.0532166099153417
Energy: 2.0539400551087246
Energy: 2.1185733355470937
Energy: 2.1677642907453403
Energy: 2.1192578183521174
Energy: 2.0544232443073174
Energy: 2.0529760956523564
Energy: 2.1182275134160298
Energy: 2.064096722584754
Energy: 2.0701557958290357
Energy: 2.0693219013373443
Energy: 2.0742780383569497
Energy: 2.068658750796099
Energy: 2.064020638094187
Energy: 2.0710643718890105
Energy: 2.0704729063371476
Energy: 2.0728577030912128
Energy: 2.0685722062586827
Energy: 2.168665201532456
Energy: 2.216803961253298
Energy: 2.065918061286944
Energy: 2.1630562638488526
Energy: 2.0684803356942445
Energy: 2.1690285911661675
Energy: 2.119842135134835
Energy: 2.0645639037695673
Energy: 2.1624308370027534
Energy: 2.0685465013470177
Energy: 2.129904047433412
Energy: 2.0714499551006345
Energy: 2.120554120357549
Energy: 2.1308808335563376
Energy: 2.060811428042114
Energy: 2.131962161084898
Energy: 2.064652805584565
Energy: 2.121737797762363
Energy: 2.1290974271661955
Energy: 2.058993920291777
Energy: 2.0569450021243503
Energy: 2.0726324747655056
Energy: 2.071942070403547
Energy: 2.133154916803783
Energy: 2.059856091558722
Energy: 2.1271358135107516
Energy: 2.0701055384714526
Energy: 2.0728688822995753
Energy: 2.1328317239976244
Energy: 2.060008558760519
Energy: 2.0740722430747605
Energy: 2.1170092648781735
Energy: 2.0699651906468244
Energy: 2.073180305634647
Energy: 2.0683514999318944
Energy: 2.0753778623836667
Energy: 2.074450208023525
Energy: 2.0690423790837906
Energy: 2.072658125682592
Energy: 2.068470476792115
Energy: 2.070895669181027
Energy: 2.1696001629560393
Energy: 2.236590473001254
Energy: 2.1111751811127806
Energy: 2.0666939640271815
Energy: 2.0687332473997904
Energy: 2.167547764541256
Energy: 2.10849844152455
Energy: 2.112649531118584
Energy: 2.0650361320922497
Energy: 2.06913368860944
Energy: 2.1686239774891987
Energy: 2.0718031965361985
Energy: 2.1309147986435653
Energy: 2.1751897518658274
Energy: 2.0680227671252642
Energy: 2.1694064711389833
Energy: 2.070540504789064
Energy: 2.1312163822923007
Energy: 2.175414879470698
Energy: 2.0707028630935747
Energy: 2.1398072303586995
Energy: 2.2001683935941165
Energy: 2.068432396953339
Energy: 2.1768917775052854
Energy: 2.0695731513067708
Energy: 2.202572687336075
Energy: 2.199833814698929
Energy: 2.0690920857715684
Energy: 2.104975899617783
Energy: 2.1873292399499276
Energy: 2.07218816820444
Energy: 2.070300349947337
Energy: 2.1199919245995833
Energy: 2.1754765716177387
Energy: 2.1640567529261
Energy: 2.073314664410972
Energy: 2.07125829399484
Energy: 2.0740023983228664
Energy: 2.175488604736472
Energy: 2.055740389746186
Energy: 2.206077930575997
Energy: 2.1660133690016465
Energy: 2.06873058447437
Energy: 2.1673529906201074
Energy: 2.0616249233174293
Energy: 2.1117761555339114
Energy: 2.16662154469866
Energy: 2.068736871018197
Energy: 2.076756111859371
Energy: 2.0725329541062556
Energy: 2.0695555233149374
Energy: 2.070438999690324
Energy: 2.120287576305211
Energy: 2.069104148158339
Energy: 2.0714787583801852
Energy: 2.0687360874552407
Energy: 2.0724493342376915
Energy: 2.0731522554214465
Energy: 2.068749041367119
Energy: 2.127511951661396
Energy: 2.071041149134219
Energy: 2.071172596878624
Energy: 2.2160846619688304
Energy: 2.1975360799926666
Energy: 2.132494211966005
Energy: 2.074080817608976
Energy: 2.0709685552488852
Energy: 2.075809714204436
Energy: 2.1345183497689626
Energy: 2.1251906542767314
Energy: 2.0574567034265945
Energy: 2.0579465413003675
Energy: 2.132793792953363
Energy: 2.1332535793947276
Energy: 2.12633623280795
Energy: 2.0584230834256796
Energy: 2.0574866260429348
Energy: 2.135871136792436
Energy: 2.1361885059544243
Energy: 2.160789253985495
Energy: 2.0599001192729656
Energy: 2.1668729498415362
Energy: 2.169471332011002
Energy: 2.068610625505844
Energy: 2.1616623926977985
Energy: 2.0586039684127297
Energy: 2.0649697359850294
Energy: 2.168989679212721
Energy: 2.0682163575875907
Energy: 2.070354196102513
Energy: 2.1695552275850125
Energy: 2.0707585641553736
Energy: 2.1189409297649253
Energy: 2.068877569359713
Energy: 2.0714212252986535
Energy: 2.0706069011812716
Energy: 2.07048006039058
Energy: 2.118964956841148
Energy: 2.0684768604607067
Energy: 2.0662018209031014
Energy: 2.0663232874969144
Energy: 2.120579885740565
Energy: 2.0691743418748083
Energy: 2.1173814158498834
Energy: 2.1343804886255615
Energy: 2.06587701028938
Energy: 2.118933819595991
Energy: 2.1662483767035883
Energy: 2.1174160875527424
Energy: 2.0688870513904294
Energy: 2.0710722468436944
Energy: 2.1756166866244255
Energy: 2.1678178684620555
Energy: 2.066584408079668
Energy: 2.0682810549025
Energy: 2.074625323247616
Energy: 2.1770236241171332
Energy: 2.1657963078074807
Energy: 2.0707538282804268
Energy: 2.1394165993819034
Energy: 2.071660503005181
Energy: 2.175056233137679
Energy: 2.1352219573510927
Energy: 2.223387746248399
Energy: 2.1372398751382855
Energy: 2.0723134754308634
Energy: 2.0718488191176565
Energy: 2.1349171668016997
Energy: 2.123231266319662
Energy: 2.0729051171788537
Energy: 2.069314246346507
Energy: 2.2465138609274904
Energy: 2.065086836518931
Energy: 2.071300032223112
Energy: 2.073170036566243
Energy: 2.069250409350765
Energy: 2.065981803690176
Energy: 2.0683013872916773
Energy: 2.0705193905775445
Energy: 2.0726987826884615
Energy: 2.0711147911685757
Energy: 2.052799062844223
Energy: 2.0518875560189134
Energy: 2.1277857626006424
Energy: 2.071495057990708
Energy: 2.0722578951675676
Energy: 2.0528629873745743
Energy: 2.051463695651457
Energy: 2.1271637253447824
Energy: 2.072445087028011
Energy: 2.1293902387890444
Energy: 2.0727684589522424
Energy: 2.1617838278008685
Energy: 2.068656784392776
Energy: 2.1233050594132674
Energy: 2.0745703441800107
Energy: 2.1387013768655705
Energy: 2.07432981252337
Energy: 2.067721126405482
Energy: 2.169391532294555
Energy: 2.11901938189625
Energy: 2.066668222350579
Energy: 2.1644770065504453
Energy: 2.0697940518597693
Energy: 2.1691490004897593
Energy: 2.117813147479728
Energy: 2.0655555901454674
Energy: 2.162895842977288
Energy: 2.0695199237075292
Energy: 2.0597222522211927
Energy: 2.0686035288943465
Energy: 2.1316750003215956
Energy: 2.1247920791855752
Energy: 2.0599091029086254
Energy: 2.127523670700334
Energy: 2.0676801822054203
Energy: 2.2095038782374505
Energy: 2.124085767067294
Energy: 2.0609345393789114
Energy: 2.2112297563328664
Energy: 2.069171029289131
Energy: 2.069947699093217
Energy: 2.1340483262938728
Energy: 2.057566278049974
Energy: 2.166720652651777
Energy: 2.0685180300952233
Energy: 2.071682830551094
Energy: 2.133282819003689
Energy: 2.0584100361315647
Energy: 2.0694688159201133
Energy: 2.118874123951078
Energy: 2.0701087945316328
Energy: 2.0735051550711683
Energy: 2.0681218716656793
Energy: 2.0703240648735557
Energy: 2.1188972433894118
Energy: 2.070603579458129
Energy: 2.071654839520351
Energy: 2.0687018022478663
Energy: 2.1168938412207874
Energy: 2.16624491483112
Energy: 2.121063896436079
Energy: 2.065280854076102
Energy: 2.0697360899796924
Energy: 2.1168313326393067
Energy: 2.1375264610617135
Energy: 2.127146000310492
Energy: 2.066189872558467
Energy: 2.0696569836070737
Energy: 2.069922976489542
Energy: 2.1684144206330416
Energy: 2.178347540578496
Energy: 2.1682254661126414
Energy: 2.1760836410722963
Energy: 2.066888480323661
Energy: 2.167543619132496
Energy: 2.1770829606744866
Energy: 2.1472948686439914
Energy: 2.1753811621084354
Energy: 2.0713173640913136
Energy: 2.1681695976055315
Energy: 2.125621816929673
Energy: 2.068483939887312
Energy: 2.176229979163796
Energy: 2.0695998708711616
Energy: 2.1700231738232816
Energy: 2.200645107856104
Energy: 2.0692051231186905
Energy: 2.1769805379125273
Energy: 2.053299349375919
Energy: 2.1175997264931268
Energy: 2.0689393190998926
Energy: 2.1260114439655498
Energy: 2.1760286999574125
Energy: 2.052852857846994
Energy: 2.0731534288791784
Energy: 2.0697804193914515
Energy: 2.126434134777947
Energy: 2.248307007369715

minimum gb energy = 2.051463695651457 eV
minimum distance =  2.29372704562089 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 2.0718523911113707
Energy: 2.0527733256038756
Energy: 2.201383159293873
Energy: 2.076590611428659
Energy: 2.053054230452023
Energy: 2.071688314944259
Energy: 2.074763003710298
Energy: 2.2020085602699506
Energy: 2.074998415255878
Energy: 2.053707452107954
Energy: 2.063772627468164
Energy: 2.0733147836726364
Energy: 2.0720188881415194
Energy: 2.072932913204623
Energy: 2.072282305036525
Energy: 2.214123870306979
Energy: 2.0742140803530655
Energy: 2.0549780222125644
Energy: 2.0740477227364975
Energy: 2.071515797180681
Energy: 2.0761350267614835
Energy: 2.0746110192120106
Energy: 2.076135469093325
Energy: 2.07673176325715
Energy: 2.2130110685469417
Energy: 2.0743531605897387
Energy: 2.0736475610799685
Energy: 2.074812512614677
Energy: 2.2054112924533293
Energy: 2.211318135349547
Energy: 2.2030644820736853
Energy: 2.066271429037013
Energy: 2.0557406779780645
Energy: 2.0725401794538802
Energy: 2.209969428806463
Energy: 2.202565649962465
Energy: 2.0690525214230346
Energy: 2.0542254520144914
Energy: 2.0742631000179546
Energy: 2.0599897055749183
Energy: 2.074791622367409
Energy: 2.05494124933679
Energy: 2.069128342729318
Energy: 2.076965141977845
Energy: 2.0741548349675263
Energy: 2.0732569258198628
Energy: 2.055312837474423
Energy: 2.06587228592081
Energy: 2.0752778532447227
Energy: 2.073021415129031
Energy: 2.074309105209477
Energy: 2.2029409789129124
Energy: 2.0735477303721943
Energy: 2.076263153636734
Energy: 2.05392511004671
Energy: 2.075128241852945
Energy: 2.2015160010883306
Energy: 2.075158568109716
Energy: 2.0774441124625227
Energy: 2.053245982887791
Energy: 2.201872591403571
Energy: 2.0599930922388388
Energy: 2.072570630012401
Energy: 2.0730089668994833
Energy: 2.0752330152115563
Energy: 2.2023471990038357
Energy: 2.0599009935689385
Energy: 2.071900981989261
Energy: 2.0728603495930265
Energy: 2.074400385646159
Energy: 2.073789192097744
Energy: 2.2164148152373953
Energy: 2.076541375532017
Energy: 2.0709536321815927
Energy: 2.0536530937676587
Energy: 2.074567124810071
Energy: 2.2182288551100684
Energy: 2.0765397913421224
Energy: 2.0721652848778453
Energy: 2.053878930515101
Energy: 2.0733184913036395
Energy: 2.0557267975500153
Energy: 2.0721715382276575
Energy: 2.057813730864938
Energy: 2.210587262519479
Energy: 2.0722416921976867
Energy: 2.072482830075885
Energy: 2.071392897769233
Energy: 2.0604220707681846
Energy: 2.2091092331665063
Energy: 2.077222544878151
Energy: 2.076426516777645
Energy: 2.2179776891107266
Energy: 2.2022417327513764
Energy: 2.079404200934876
Energy: 2.0768834839960446
Energy: 2.076507620308483
Energy: 2.2204519210446376
Energy: 2.212475199879391
Energy: 2.075403690655324
Energy: 2.063822600469195
Energy: 2.0722325944852305
Energy: 2.0799436080929037
Energy: 2.2028197702441816
Energy: 2.210869149252911
Energy: 2.06089667515805
Energy: 2.0723832039007504
Energy: 2.0596830286539753
Energy: 2.2033716175730427
Energy: 2.210364296370863
Energy: 2.072149862929565
Energy: 2.076920124117506
Energy: 2.081598588803837
Energy: 2.076158115958335
Energy: 2.05294889267104
Energy: 2.072768129699924
Energy: 2.0752731536388738
Energy: 2.0772565239562377
Energy: 2.0751992615215284
Energy: 2.0535658552395613
Energy: 2.2100655483056366
Energy: 2.073233009778847
Energy: 2.0719555719447174
Energy: 2.0728581481656874
Energy: 2.0713597871225
Energy: 2.2136247336675305
Energy: 2.074006596030582
Energy: 2.0555632200090037
Energy: 2.0739130993372172
Energy: 2.071254863291841
Energy: 2.076813056756406
Energy: 2.0750263812893865
Energy: 2.0761923386771213
Energy: 2.076753550546259
Energy: 2.2125334759748654
Energy: 2.074793375392895
Energy: 2.0738658316083844
Energy: 2.0751259106898687
Energy: 2.202542726797441
Energy: 2.2114385464751414
Energy: 2.2038379461584263
Energy: 2.0654047163454905
Energy: 2.0560424717501222
Energy: 2.072184677397668
Energy: 2.2095076193632717
Energy: 2.2028732802516178
Energy: 2.0684506993641065
Energy: 2.0544080693647753
Energy: 2.0739070759686506
Energy: 2.213435364956701
Energy: 2.0754945226571264
Energy: 2.0556309397097943
Energy: 2.069651165754461
Energy: 2.077008544593448
Energy: 2.074351499530905
Energy: 2.0736716753107447
Energy: 2.0553634674917993
Energy: 2.066522757817927
Energy: 2.0749597486181366
Energy: 2.0731242217214443
Energy: 2.0737387450341482
Energy: 2.203025882335806
Energy: 2.073266810472602
Energy: 2.075813924533133
Energy: 2.0539244324456063
Energy: 2.074894977773521
Energy: 2.2015424530192598
Energy: 2.0744447958507775
Energy: 2.0775574926076703
Energy: 2.053026388568255
Energy: 2.202307383366508
Energy: 2.0600436678311325
Energy: 2.072756503685496
Energy: 2.072979370992921
Energy: 2.0756095529624394
Energy: 2.202531963170466
Energy: 2.060052389751659
Energy: 2.0720355471028733
Energy: 2.072916047405039
Energy: 2.0745267063878257
Energy: 2.073416673415906
Energy: 2.21787426680846
Energy: 2.0760403128842944
Energy: 2.0706123095414313
Energy: 2.054339871202305
Energy: 2.0741185179969217
Energy: 2.219713025923704
Energy: 2.0763956307897655
Energy: 2.072100726034786
Energy: 2.053158994891048
Energy: 2.0734195069851222
Energy: 2.055376211422985
Energy: 2.0724416876504748
Energy: 2.0571861253262513
Energy: 2.2104888485635366
Energy: 2.0722635712560447
Energy: 2.0722092589313728
Energy: 2.0715420436791567
Energy: 2.0600663820734386
Energy: 2.07394279080677
Energy: 2.076971798612452
Energy: 2.0761224346559795
Energy: 2.2200855087609823
Energy: 2.2023697796402417
Energy: 2.077218693684872
Energy: 2.076929465122248
Energy: 2.076352295404614
Energy: 2.222233150919897
Energy: 2.074355475177027
Energy: 2.0759094137852183
Energy: 2.0642839254860177
Energy: 2.0725336095098625
Energy: 2.0813233320286684
Energy: 2.20344924373353
Energy: 2.2100515555281204
Energy: 2.061034086286796
Energy: 2.0722410982618067
Energy: 2.0599056054066804
Energy: 2.2024233015780124
Energy: 2.2128243203445366

minimum gb energy = 2.0527733256038756 eV
minimum distance =  2.29517559581247 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.038792203111023
Energy: 2.144305446985748
Energy: 2.159048021417373
Energy: 2.1015108488245247
Energy: 2.1475305512054077
Energy: 2.0022898599988443
Energy: 2.0546523577793265
Energy: 2.202616171141764
Energy: 2.220682189734428
Energy: 2.002846472301656
Energy: 1.9673463384840344
Energy: 2.0982878694434155
Energy: 2.041485308819512
Energy: 2.0022264932430365
Energy: 2.097157169572062
Energy: 1.9809083191017123
Energy: 2.0981100424784214
Energy: 2.042123875258523
Energy: 2.1003494232355253
Energy: 2.05033560794817
Energy: 2.2057120117464355
Energy: 2.041542388131049
Energy: 1.9956369796989883
Energy: 2.1037127760989613
Energy: 2.0936376452555803
Energy: 2.1782070153616924
Energy: 2.091144975635149
Energy: 1.996262935460635
Energy: 2.0904541139935024
Energy: 2.0035508201105157
Energy: 2.0097291867144453
Energy: 1.993863875091432
Energy: 2.1460952806111115
Energy: 2.1837138496602764
Energy: 1.9805040301248762
Energy: 1.9813509776431593
Energy: 1.9945320159615814
Energy: 2.092014791286672
Energy: 2.2043879915839137
Energy: 2.117443390799346
Energy: 2.035202426829009
Energy: 2.1371772166343947
Energy: 1.989975532263352
Energy: 1.9951178715597515
Energy: 2.14650205166262
Energy: 1.993495537502572
Energy: 2.137892987291632
Energy: 2.0432227522613933
Energy: 1.9964467041961909
Energy: 2.1446732345724637
Energy: 1.9681748793403644
Energy: 1.9942224730604032
Energy: 1.9958885477776964
Energy: 2.240130691648434
Energy: 1.9713439118918938
Energy: 2.0072369965883086
Energy: 1.9950902156121464
Energy: 1.9919713316138818
Energy: 2.306874134467866
Energy: 1.97214173149125
Energy: 1.994564227084658
Energy: 1.9939599750801178
Energy: 1.9972985857945846
Energy: 2.037425073704358
Energy: 2.1981593631875267
Energy: 1.9928992485816897
Energy: 1.9935735952540086
Energy: 1.9982576253162405
Energy: 2.0358911291180966
Energy: 2.263599682657186
Energy: 2.119764557280578
Energy: 1.994041367471775
Energy: 2.009932301520492
Energy: 1.9915207566319622
Energy: 2.1703878666352225
Energy: 1.9923630732405126
Energy: 1.991690305826231
Energy: 2.0660364452053317
Energy: 1.9910220366851414
Energy: 2.125239312778793
Energy: 2.0042512345415076
Energy: 1.9684009247712588
Energy: 2.174473775890348
Energy: 1.9906543917266684
Energy: 1.9953411802842342
Energy: 2.00413799331491
Energy: 1.9678268653958289
Energy: 2.1556202042204915
Energy: 1.99417766288388
Energy: 1.9939474168989955
Energy: 2.1482321526387067
Energy: 2.0896102587048886
Energy: 2.0160986486756074
Energy: 1.9863093793153304
Energy: 1.9893722489495118
Energy: 2.1086119868333055
Energy: 2.0897163251297695
Energy: 1.9790120425228106
Energy: 1.9735900385028777
Energy: 1.9771700251914643
Energy: 2.185146395074214
Energy: 2.070437673907456
Energy: 1.9914505672356262
Energy: 1.9880026974227307
Energy: 2.0294969297177157
Energy: 2.154002772277828
Energy: 2.039241373271977
Energy: 2.01746741184788
Energy: 1.9751177063690095
Energy: 2.0155877404788574
Energy: 1.9765792127698507
Energy: 2.119096094649749
Energy: 2.0846327341082946
Energy: 1.990959177223317
Energy: 2.1747102755423877
Energy: 1.9770129129208056
Energy: 2.1224856297120867
Energy: 1.9762649332258617
Energy: 2.01189004013102
Energy: 2.1414753545592284
Energy: 2.2008729106881852
Energy: 2.076474378261432
Energy: 2.006650575168192
Energy: 2.1454179118433707
Energy: 1.9805874192991668
Energy: 2.1763682830574513
Energy: 1.9792874023615161
Energy: 2.0066425267141623
Energy: 2.091369272622681
Energy: 2.1438790253033626
Energy: 1.9993730690946048
Energy: 2.1019651520368616
Energy: 2.1946289084484274
Energy: 2.1243271642384562
Energy: 2.037325739249861
Energy: 1.9999335881398557
Energy: 2.094853572796015
Energy: 2.186841950089999
Energy: 2.1085071949838214
Energy: 2.0378542351708786
Energy: 2.0335172713452656
Energy: 1.9920561670984043
Energy: 1.9909767231971565
Energy: 2.1905253108933103
Energy: 1.9970359307843901
Energy: 2.034798800924436
Energy: 1.9769766564475149
Energy: 1.9782979734583925
Energy: 2.040087784972192
Energy: 1.9938135791120501
Energy: 2.2378685593560665
Energy: 2.188681215015916
Energy: 1.991045892577305
Energy: 1.992781816771774
Energy: 2.0216665867840233
Energy: 2.2483165110619203
Energy: 2.178174194446836
Energy: 1.9806282995867166
Energy: 1.9812944982212584
Energy: 2.0536966261157046
Energy: 1.9790800637532278
Energy: 2.04168870697281
Energy: 1.977983311089465
Energy: 2.2254628172284217
Energy: 1.987970870413261
Energy: 1.9793528910140734
Energy: 2.04085191097525
Energy: 2.044914372015789
Energy: 2.2385301601303476
Energy: 1.990449971991005
Energy: 2.2947572300911236
Energy: 2.2621477411390347
Energy: 1.9735606170465199
Energy: 2.1343089438887914
Energy: 1.9973286076423251
Energy: 2.2872005714175385
Energy: 2.2628583039495194
Energy: 1.9849117205165783
Energy: 2.0685190390613877
Energy: 1.99733260755711
Energy: 1.9930372919155883
Energy: 2.005336081783288
Energy: 2.0161390123390035
Energy: 1.994134119287125
Energy: 1.9971516319044473
Energy: 1.9941049716008068
Energy: 1.992024159566754
Energy: 1.9969138230330812
Energy: 1.9923972583347402
Energy: 1.9957541890989754
Energy: 2.0612521860069912
Energy: 1.99180276863082
Energy: 2.133969076573449
Energy: 1.9962694511049144
Energy: 1.9975329123945196
Energy: 1.9891222939213986
Energy: 2.0193937419415366
Energy: 2.0738449132583976
Energy: 1.995340867633755
Energy: 1.9963131474656552
Energy: 2.1293539903783016
Energy: 2.055307938224898
Energy: 1.9980589936450888
Energy: 2.089431437078622
Energy: 2.067035887870662
Energy: 2.0823433084577174
Energy: 1.9915771446841648
Energy: 1.9980137720875994
Energy: 1.970083715849422
Energy: 2.070665584778436
Energy: 2.0703055961605306
Energy: 1.9717157069134403
Energy: 2.1192881266590287
Energy: 2.0399889060979404
Energy: 2.00430007140126
Energy: 1.9735589592561982
Energy: 1.9718254902060202
Energy: 2.138173396172094
Energy: 1.9680171649717277
Energy: 2.0706536313912225
Energy: 2.012928229209681
Energy: 2.0557684846886457
Energy: 1.9776585886296576
Energy: 1.995934397587762
Energy: 2.0085621073773763
Energy: 1.974819102081429
Energy: 1.9712402202109014
Energy: 2.0776931347319154
Energy: 2.0490614491405705
Energy: 2.043877971434857
Energy: 1.9770487111292099
Energy: 1.9951764133290486
Energy: 1.9813270854202165
Energy: 1.9815998247591031
Energy: 2.1884989905610013
Energy: 1.975881790634175
Energy: 2.007020251593477
Energy: 1.9815217908842617
Energy: 2.112052643846149
Energy: 2.148217437842827
Energy: 2.005810105276447
Energy: 2.1227684778997067
Energy: 2.1141814705060478
Energy: 2.114001988101152
Energy: 1.9629267604682166
Energy: 2.0068577462341306
Energy: 2.0721092168997375
Energy: 2.115171010684684
Energy: 2.0796068116710043
Energy: 2.0075178876441955
Energy: 2.03209836110492
Energy: 2.143151170830224
Energy: 2.003021044453991
Energy: 2.055639249646034
Energy: 2.1268086418871546
Energy: 2.030713542325524
Energy: 2.0871307481494967
Energy: 2.040636485657853
Energy: 2.0888276215448354
Energy: 2.1870114554836597
Energy: 1.9767259974931255
Energy: 2.053958980939571
Energy: 1.9963977566358448
Energy: 2.0756129151905016
Energy: 2.0847824077742434
Energy: 1.9755868505603806
Energy: 2.0506347094210997
Energy: 1.997065145172925
Energy: 2.074632045433858
Energy: 1.9707128710866468
Energy: 1.978375883761284
Energy: 2.249698862929935
Energy: 2.1322983360694225
Energy: 2.174188020915745
Energy: 1.969324099352844
Energy: 1.9780423216030143
Energy: 2.2441489403620243
Energy: 2.1385032407759477
Energy: 2.1751779983193607
Energy: 1.970349205084756
Energy: 2.080951641346997
Energy: 2.1369561716675025
Energy: 1.9893666109035946
Energy: 1.9973318335538628
Energy: 2.2631322965173486
Energy: 2.037470052586963
Energy: 2.1125672480994573
Energy: 1.9888387193958994
Energy: 1.996516355768981
Energy: 2.204413359874491
Energy: 2.2648184943085146
Energy: 1.9962201090393414
Energy: 1.9980513240325688
Energy: 2.2496338514763017
Energy: 1.9848397865693157
Energy: 1.9785002467453228
Energy: 1.996128690301298
Energy: 1.996365738067769
Energy: 2.229043964620865
Energy: 1.9724071132952157
Energy: 1.9960467419781338
Energy: 1.9935995267222906
Energy: 1.9972427356527296
Energy: 2.0508366629503727
Energy: 2.235913407625423
Energy: 1.9971173198528676
Energy: 1.9948424579358337
Energy: 1.9967505661947562
Energy: 2.0316198237214063
Energy: 2.278576654983743
Energy: 1.995013213536818
Energy: 1.9949015613011383
Energy: 1.9965299313007543
Energy: 1.9916871419656432
Energy: 2.129479694144586
Energy: 1.9958981167483247
Energy: 1.9973036289625186
Energy: 1.9983545251591335
Energy: 1.9910148241681502
Energy: 2.139857001069287
Energy: 2.096500154795428
Energy: 1.999952421110729
Energy: 2.1198443944195433
Energy: 2.0395754187773703
Energy: 2.0789632323961165
Energy: 2.090178216027236
Energy: 2.129811080289505
Energy: 2.143569316845679
Energy: 1.9907062566724847
Energy: 2.0772261360586546
Energy: 2.115226092773006
Energy: 1.9707148785528337
Energy: 2.0668537618960214
Energy: 1.97404110347828
Energy: 1.9770135784108465
Energy: 2.108458411708681
Energy: 1.9712879288741219
Energy: 2.0560601689817397
Energy: 1.9859877599631546
Energy: 1.9910778635581685
Energy: 2.2041157230567148
Energy: 2.049590487430531
Energy: 2.0169529010893967
Energy: 1.9789607315739701
Energy: 2.0495924238998837
Energy: 2.1591653655461034
Energy: 2.036172781149109
Energy: 2.0296160208885126
Energy: 1.9888280150140303
Energy: 1.9901789374709686
Energy: 1.976163040278925
Energy: 2.1688677083975922
Energy: 1.9753749794216728
Energy: 1.9782733673354818
Energy: 2.037502303405833
Energy: 1.976707557765806
Energy: 2.168839849999865
Energy: 1.9895350408379275
Energy: 1.9890837491164834
Energy: 2.0510161823585666
Energy: 2.146838653168861
Energy: 2.0443873467590294
Energy: 2.0036631558962474
Energy: 2.089072960203223
Energy: 2.094644457371608
Energy: 2.1562431849091657
Energy: 1.9791437374776089
Energy: 2.0003082018214076
Energy: 2.098043981634389
Energy: 2.045612076455011
Energy: 1.9973325211677266
Energy: 2.0502492489192012
Energy: 2.1078559325979973
Energy: 2.0083572011965134
Energy: 1.996844760640095
Energy: 1.9976364399425781
Energy: 2.088497055870216
Energy: 2.0683249134828077
Energy: 2.0034691680204935
Energy: 1.9944223900161409
Energy: 2.031080447262808
Energy: 1.9786655795620616
Energy: 1.9793878125578348
Energy: 2.0414675814671743
Energy: 2.048103937213091
Energy: 2.037260684331313
Energy: 1.989705737443712
Energy: 1.990038744291154
Energy: 2.0159555876819435
Energy: 2.048810700099263
Energy: 2.3575366304791907
Energy: 2.177141586423613
Energy: 2.0181416567450623
Energy: 2.211671312555964
Energy: 2.0465011490926934
Energy: 2.3014837990363914
Energy: 2.1887540042731746
Energy: 2.0312257398160005
Energy: 2.2280846267647645
Energy: 2.0359495335457085
Energy: 1.9798637604183178
Energy: 2.2038141825281232
Energy: 2.2845473059801678
Energy: 2.0464026739954293
Energy: 2.0332213129303156
Energy: 1.9800073321204779
Energy: 2.23786058438495
Energy: 2.298698716344744
Energy: 2.094829987139387
Energy: 1.9915131450486787
Energy: 2.2190361675978476
Energy: 2.304791408716817
Energy: 2.2690851174558264
Energy: 2.042205714748457
Energy: 1.993131928829081
Energy: 2.2459224777591476
Energy: 2.3057437206498865
Energy: 2.267162002561421
Energy: 1.9954772316158171
Energy: 1.9966134370602224
Energy: 1.994340356600191
Energy: 2.072508691669442
Energy: 2.051476489958764
Energy: 1.9911263568750017
Energy: 1.9913132631579322
Energy: 1.9912885925704087
Energy: 1.981920071360984
Energy: 1.9966190499712326
Energy: 1.9931165965866602
Energy: 1.9936138287883898
Energy: 1.9972725484641722
Energy: 1.9906440103608847
Energy: 2.098926526274494
Energy: 1.9937767089101426
Energy: 1.9934953779278348
Energy: 2.0945556988620617
Energy: 1.9963462575615247
Energy: 2.0862516664037507
Energy: 1.994189122639692
Energy: 1.9950733997428163
Energy: 2.133206246754383
Energy: 1.9915557073560932
Energy: 1.9790166258013449
Energy: 2.090649197480495
Energy: 2.0723253643559194
Energy: 2.076071031175703
Energy: 1.9917400915039811
Energy: 2.00500339350202
Energy: 2.096552106671792
Energy: 2.1733679348963126
Energy: 2.0045398535598173
Energy: 2.0049232740092933
Energy: 2.0944269706505008
Energy: 1.968097904281427
Energy: 2.003940352298986
Energy: 1.9801517580487191
Energy: 1.9807343923541092
Energy: 2.1167436076334867
Energy: 1.9696229777972414
Energy: 2.0036809480338267
Energy: 2.0062556957756144
Energy: 2.006665954943305
Energy: 2.0044030720739245
Energy: 1.9906201372646881
Energy: 2.011550870823841
Energy: 2.044560723289502
Energy: 2.0484232323221496
Energy: 2.0800319873083843
Energy: 1.9935155863324734
Energy: 2.0027359933630366
Energy: 2.004567075124077
Energy: 1.979400552079359
Energy: 2.020486961379528
Energy: 2.1793973174300736
Energy: 2.170749740805482
Energy: 1.9781650705799345
Energy: 2.1120484713462515
Energy: 2.020658098327962
Energy: 2.148569743721547
Energy: 2.1657826905911204
Energy: 2.0384564608204276
Energy: 2.153577973072675
Energy: 2.060638988788464
Energy: 2.043287349922173
Energy: 1.9635422461429273
Energy: 1.9977300526622732
Energy: 2.1933070727459993
Energy: 1.9965718934326402
Energy: 2.0602989187240803
Energy: 1.971338523732209

minimum gb energy = 1.9629267604682166 eV
minimum distance =  2.25580505678879 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.007677817218373
Energy: 1.7769525966510853
Energy: 1.8508415456567089
Energy: 2.005889371865373
Energy: 1.7787095733386535
Energy: 1.9767073254784022
Energy: 1.9009755229992746
Energy: 1.8494967132312874
Energy: 2.004219688900598
Energy: 1.9798856471662567
Energy: 1.7693937021810329
Energy: 2.080938584818619
Energy: 1.772680612584651
Energy: 2.18562488894067
Energy: 1.7805767568937085
Energy: 1.7763519719130854
Energy: 2.082439705849148
Energy: 1.7744249152730054
Energy: 2.0808200710975733
Energy: 1.7812480421179906
Energy: 1.985204110666217
Energy: 1.7800051335620237
Energy: 1.8800180463403613
Energy: 1.8483733553939359
Energy: 1.7785925887234586
Energy: 1.985269435077932
Energy: 1.7798907163057023
Energy: 1.8813844241873767
Energy: 1.8477410297186945
Energy: 1.777832056269554
Energy: 1.8496626499729614
Energy: 1.8598206719149593
Energy: 2.0725369413404464
Energy: 1.9824938732254356
Energy: 1.7754506151316252
Energy: 1.8502700479866603
Energy: 1.8463143741813046
Energy: 2.0717573522963373
Energy: 1.9825775858501231
Energy: 1.876360698278681
Energy: 1.9662613064393841
Energy: 1.8993271964106047
Energy: 1.7971657848820595
Energy: 1.8042913303256223
Energy: 1.9814454624880358
Energy: 1.9654599781261224
Energy: 1.8992946634284742
Energy: 1.798435908160651
Energy: 1.8005120401243122
Energy: 1.9796805939340554
Energy: 1.7753727424281385
Energy: 1.859314837899687
Energy: 1.8796887543603278
Energy: 1.8033633255060042
Energy: 1.9752671999632165
Energy: 1.9017315330070534
Energy: 1.7847192692161558
Energy: 1.9791961811287633
Energy: 1.8051229236005286
Energy: 1.9771755679260585
Energy: 1.9880892072539587
Energy: 1.9818538924105435
Energy: 1.9859565398741756
Energy: 1.7794015387504083
Energy: 1.8761894336585079
Energy: 1.9866159638876453
Energy: 1.9828436952487405
Energy: 1.9847206432933955
Energy: 1.8500359823192947
Energy: 1.8764573452850728
Energy: 2.0039194982754647
Energy: 1.7756260298422466
Energy: 1.7844341288038625
Energy: 1.8492410359217732
Energy: 2.0844022528943658
Energy: 2.013417736252083
Energy: 1.7743538580519218
Energy: 1.7855821643134793
Energy: 1.8496590790693044
Energy: 2.084733788906344
Energy: 1.8493181145331576
Energy: 2.0731919463183277
Energy: 1.9020115192962797
Energy: 1.77607554190879
Energy: 1.8482512701000344
Energy: 1.8481555037443014
Energy: 2.0740458372096535
Energy: 1.9008050476939633
Energy: 2.1164648829596193
Energy: 1.8458846641172941
Energy: 1.9062168588414268
Energy: 1.9874571749011252
Energy: 1.7760269391839882
Energy: 2.203292237926925
Energy: 1.9032905554761586
Energy: 1.7997211115427088
Energy: 1.794412539913543
Energy: 1.7770330873532911
Energy: 2.1990488582518766
Energy: 1.9022600434425272
Energy: 1.7760217131608436
Energy: 1.7767522044177668
Energy: 1.9016683537646848
Energy: 1.9764794442781315
Energy: 1.7781853900581899
Energy: 1.7756623771042106
Energy: 1.7769958914005148
Energy: 1.9021794895865958
Energy: 1.9775420611152084
Energy: 1.8570374346390737
Energy: 1.7778693747366006
Energy: 1.7776621109702893
Energy: 1.7746228658956087
Energy: 2.1130651653899304
Energy: 1.7774577230927842
Energy: 1.7779186683979924
Energy: 1.775510225618375
Energy: 1.7741669317911104
Energy: 2.083005416848473
Energy: 1.777467554230524
Energy: 1.7761524396801762
Energy: 1.7815756198860155
Energy: 1.8480809021985123
Energy: 2.0853252320418676
Energy: 1.9029548635939308
Energy: 1.775715457802168
Energy: 1.7847521688282897
Energy: 1.8783170451744433
Energy: 2.081983431821729
Energy: 1.7774382428430158
Energy: 1.777606014477584
Energy: 1.9043638858929963
Energy: 2.2447046884377597
Energy: 1.7756702712068333
Energy: 1.7793602996279527
Energy: 2.1434279976488937
Energy: 1.9037690458282333
Energy: 2.0175899452644073
Energy: 1.7757104210658508
Energy: 1.8949974062401467

minimum gb energy = 1.7693937021810329 eV
minimum distance =  2.30652667305081 Angstroms
sigma value = 33