Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700485944747925
cohesive_energy=1.5099470904077228
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 0.0, 1.2728428181747639e-21, 1.63434834081072e-20, 4.32538023704346e-20, 7.298891895616739e-20, 1.004782645540224e-19, 1.240611830828586e-19, 1.44007641305505e-19, 1.6121421726634797e-19, 1.7607921207659998e-19, 1.8886938814582198e-19, 1.9981545890930998e-19, 2.0912090079958196e-19, 2.16961953246378e-19, 2.23494027383196e-19, 2.2884689951739e-19, 2.33142335073144e-19, 2.36478066825132e-19, 2.38947021018126e-19, 2.4062930648382596e-19, 2.4159221464085997e-19, 2.4190143473122197e-19, 2.41577795051154e-19, 2.4055240200539395e-19, 2.3872912499590197e-19, 2.36003822541468e-19, 2.3225152486463997e-19, 2.27331240421626e-19, 2.21081149372392e-19, 2.1331379705075997e-19, 2.0381128743450597e-19, 1.9262008364601598e-19, 1.79914822938396e-19, 1.64610831730428e-19, 1.4486945211693358e-19, 1.182217299049188e-19, 8.148093576935759e-20, 3.0679119058485596e-20, -3.89493946255302e-20, -1.3286001672145977e-19, -2.56862560139514e-19, -4.1709464312921995e-19, -6.20744110723692e-19, -8.75403677991456e-19, -1.172642691484404e-18, -1.5108173179760517e-18, -1.9959115418054996e-18, -2.7860409706289398e-18, -4.12257671871174e-18, -6.5199136161659396e-18, -1.120921225385616e-17, -2.13579758372004e-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: 0.005557274862995971
Energy: 0.6404208955850281
Energy: 0.006133421515295082
Energy: 0.005649263822371661
Energy: 0.6403612997687023
Energy: 0.005572533862336295
Energy: 0.6404208955850281
Energy: 0.09940932795786454
Energy: 0.09988981712985347
Energy: 0.099339483753685
Energy: 0.09947856678363845
Energy: 0.09936315848992647
Energy: 0.006133421515295082
Energy: 0.09988981712985347
Energy: 0.09927197021038772
Energy: 0.005849627117676196
Energy: 0.09933958816141533
Energy: 0.09962840441938706
Energy: 0.005649263822371661
Energy: 0.099339483753685
Energy: 0.005849627117676196
Energy: 0.005701093232629922
Energy: 0.09930791603553521
Energy: 0.005582524083821
Energy: 0.6403612997690016
Energy: 0.09947856678363845
Energy: 0.09933958816141533
Energy: 0.09930791603553521
Energy: 0.09963228698695341
Energy: 0.0993852183697235
Energy: 0.005572533862336295
Energy: 0.09936315848992647
Energy: 0.09962840441938706
Energy: 0.005582524083821
Energy: 0.09938521836943252
Energy: 0.005609777099589983

minimum gb energy = 0.005557274862995971 eV
minimum distance =  2.61554398749128 Angstroms
sigma value = 1


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

Energy: 1.5224409796058522
Energy: 1.8533661355581548
Energy: 1.031432947625012
Energy: 1.153088512832314
Energy: 0.9467372990777684
Energy: 1.029033395981418
Energy: 1.5545563075342723
Energy: 0.9462909940613263
Energy: 0.891406107866214
Energy: 0.9702353154619765
Energy: 0.968713152998183
Energy: 0.9112861355882087
Energy: 1.5800312638124605
Energy: 0.8865421308071677
Energy: 0.9457099762170008
Energy: 0.9455910084701334
Energy: 0.9942208002090801
Energy: 0.9644972603765215
Energy: 1.5500431006349182
Energy: 0.9276378485383634
Energy: 0.9585557780653732
Energy: 0.9706892496576922
Energy: 0.9276543565939068
Energy: 0.9753153842929809
Energy: 1.5348632534535105
Energy: 0.9429321701082704
Energy: 0.9328130644366027
Energy: 0.9120996801657816
Energy: 0.9364964103382278
Energy: 0.974388417095469
Energy: 1.3787681825262519
Energy: 0.8877907839992856
Energy: 0.9029372470331402
Energy: 0.9390305238742144
Energy: 0.8872289764242617
Energy: 0.9008533461057608
Energy: 1.3790577789660439
Energy: 0.9278416839820125
Energy: 0.9251332062254913
Energy: 0.9430679719704415
Energy: 0.9386394436276666
Energy: 0.9246829729126053
Energy: 1.375938790872825
Energy: 0.9347827408636572
Energy: 0.9367721550209361
Energy: 0.8889799836517928
Energy: 0.9367166155262925
Energy: 0.9368757813979549
Energy: 1.0619460095555961
Energy: 0.9390253812233451
Energy: 0.9396671249555689
Energy: 0.8861441626908518
Energy: 0.9388254985213054
Energy: 0.9201943375193424
Energy: 1.1377095062233407
Energy: 0.9713055304208749
Energy: 0.9494474921568476
Energy: 0.9361876859169237
Energy: 0.966906524198483
Energy: 0.9520063863154407
Energy: 1.1233084124587047
Energy: 0.9307712151332971
Energy: 1.0596734232349658
Energy: 1.0230313804869566
Energy: 0.9308335821584919
Energy: 1.006367026936472
Energy: 0.9253368017906861
Energy: 0.9930848978557434
Energy: 0.9422032549578006
Energy: 0.9253327195696214
Energy: 0.9531824803278184
Energy: 0.9645752253739063
Energy: 0.9468409554882528
Energy: 0.9980653119925578
Energy: 0.9246944829627007
Energy: 0.9472547216027906
Energy: 0.9734746184648322
Energy: 0.9806156067996099
Energy: 1.0740414609746443
Energy: 0.9708926681779989
Energy: 0.9711731208886887
Energy: 0.9495769608943274
Energy: 0.9712249458876931
Energy: 0.9195767795724088
Energy: 1.0149873798260922
Energy: 0.9671127847346793
Energy: 0.9782730088950397
Energy: 0.9600544520619279
Energy: 0.9778014750185087
Energy: 0.9664217703291523
Energy: 0.9590527491171241
Energy: 0.9687081968484601
Energy: 0.9724989298987575
Energy: 0.9005743267645574
Energy: 0.9504662933555744
Energy: 0.9615358565780477
Energy: 1.2999485168991987
Energy: 0.9365659859598914
Energy: 0.9366533063463464
Energy: 0.9373646843005085
Energy: 0.9321959586358296
Energy: 0.9530289490941467
Energy: 1.2255644049961025
Energy: 0.9400259025572881
Energy: 0.9268772508953699
Energy: 0.9939848182408123
Energy: 0.9299048884989224
Energy: 0.9127358639263524
Energy: 1.220961276169954
Energy: 0.92493121237436
Energy: 0.91799830822782
Energy: 0.9243725449488415
Energy: 0.9244711471516464
Energy: 0.917101931657071
Energy: 1.5453614272049703
Energy: 0.929867823482118
Energy: 0.9403527376591352
Energy: 0.9390902046905605
Energy: 0.931237311819722
Energy: 0.9479907713100081
Energy: 1.4536272939250239
Energy: 0.9174201140872047
Energy: 0.9176924625217534
Energy: 0.9315778090046698
Energy: 0.9193522766504657
Energy: 0.930407539895663
Energy: 1.4795794816564645
Energy: 0.8628060536840926
Energy: 0.9146606747886652
Energy: 0.9379207911422652
Energy: 0.9006568457100853
Energy: 0.972490774627077
Energy: 1.5291411531694765
Energy: 0.9556206033731861
Energy: 0.9542670982179114
Energy: 0.9787146009796136
Energy: 0.9561491708490807
Energy: 0.9798449168613681

minimum gb energy = 0.8628060536840926 eV
minimum distance =  2.34908676611283 Angstroms
sigma value = 33


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

Energy: 1.8093975479125828
Energy: 1.6493693917310124
Energy: 1.4539124339751617
Energy: 1.246696672698307
Energy: 0.9577047342785862
Energy: 1.5013685661515648
Energy: 1.6632201581301522
Energy: 0.9078891193284254
Energy: 0.9505424858724381
Energy: 1.0384793399426944
Energy: 0.898980928865753
Energy: 0.9709849688117809
Energy: 1.4826828877765785
Energy: 0.986016790825837
Energy: 1.027020644961347
Energy: 1.0561147317832755
Energy: 0.9846860775493639
Energy: 1.1155385741194592
Energy: 1.4933818761786597
Energy: 1.1030615603093457
Energy: 0.9653003967254243
Energy: 1.0664888313616774
Energy: 1.1075506484334314
Energy: 1.050293884175907
Energy: 1.629711158982364
Energy: 1.075702485114221
Energy: 1.000002713164091
Energy: 1.0334108163146827
Energy: 1.0871495103443103
Energy: 1.062459775301106
Energy: 1.4850679694115754
Energy: 1.0057429458428622
Energy: 1.086987310462663
Energy: 1.0888326526807202
Energy: 1.017831461102724
Energy: 1.0897015476198648
Energy: 1.4694490256650505
Energy: 1.0405660727225883
Energy: 1.0459646572931005
Energy: 1.1307529035444468
Energy: 1.057551777011953
Energy: 1.051229696612677
Energy: 1.4188715744354026
Energy: 1.0201556517206627
Energy: 1.0155131484773916
Energy: 1.1567044516396308
Energy: 1.0979567781467603
Energy: 1.0068330393503304
Energy: 1.13661606732241
Energy: 1.043532703446916
Energy: 1.0404353227841534
Energy: 1.0904585718489248
Energy: 1.010146365188922
Energy: 1.0265345788520672
Energy: 1.1328220875459343
Energy: 1.0540385716629108
Energy: 1.0535558566142305
Energy: 1.0048295720396603
Energy: 1.0568291435935362
Energy: 1.0187373994972395
Energy: 1.3008023216343154
Energy: 1.22250036468873
Energy: 1.1798524036459301
Energy: 1.2791162717428468
Energy: 1.0335686063855407
Energy: 1.1817746629944945
Energy: 0.9999374927898892
Energy: 1.0345890116356538
Energy: 1.05204824544862
Energy: 0.9482676367750349
Energy: 1.0711159597242517
Energy: 1.0078517975005252
Energy: 1.0544514882358438
Energy: 1.0608336147659478
Energy: 1.095226494172171
Energy: 1.0297357357315118
Energy: 1.0951861898715305
Energy: 1.0281225489828014
Energy: 1.2043718414275064
Energy: 1.2552148126802007
Energy: 1.0639147794119914
Energy: 1.0813380470837954
Energy: 1.2564708162349003
Energy: 1.064844978826608
Energy: 1.1822466286906033
Energy: 1.0160751468663805
Energy: 1.0714874708409456
Energy: 1.0748215441471425
Energy: 1.0786270155682154
Energy: 1.0411969467083295
Energy: 1.2462931166849465
Energy: 1.0992013130622078
Energy: 1.1016546612369371
Energy: 1.0154541869744458
Energy: 1.0910602489161931
Energy: 1.0978037717641376
Energy: 1.519003395768785
Energy: 1.0693200318157337
Energy: 1.0571707467297085
Energy: 1.0312100415880683
Energy: 1.0753580724913148
Energy: 1.0452004667518875
Energy: 1.2858359951919118
Energy: 1.0420273710511385
Energy: 1.0407218713842128
Energy: 1.013077722110101
Energy: 1.1362899406781914
Energy: 1.007325574635831
Energy: 1.284649072258802
Energy: 1.013949078956298
Energy: 1.0134928347153802
Energy: 1.0148549085684464
Energy: 1.012990606642541
Energy: 1.0249327956841836
Energy: 1.581955121203189
Energy: 1.0029176485636855
Energy: 1.0076590541572137
Energy: 1.1171025175414169
Energy: 1.0009181372759768
Energy: 1.0046620663299692
Energy: 1.5639273631843722
Energy: 1.0494146022171116
Energy: 0.9750783132236239
Energy: 1.0301100924698419
Energy: 1.021229396426578
Energy: 0.9839040503181139
Energy: 1.566448507960521
Energy: 0.9580030642831654
Energy: 1.0088359481947584
Energy: 1.0380788811515709
Energy: 0.9570644694613598
Energy: 1.0609753279937963
Energy: 1.574798849018093
Energy: 1.0297551843129271
Energy: 1.0401495349427439
Energy: 1.096606694675631
Energy: 1.0296371218693963
Energy: 1.0696076919533581
Energy: 1.528824869594011
Energy: 1.146448960957624
Energy: 1.043649129615942
Energy: 1.2812387619751133
Energy: 1.146009604437459
Energy: 1.2594279954900425
Energy: 1.5752885726800139
Energy: 1.0722493084479243
Energy: 1.076047650236407
Energy: 1.067130003769628
Energy: 1.0646354856344653
Energy: 1.101475065957887
Energy: 1.459368074891818
Energy: 1.0032299017534367
Energy: 1.0726045899998535
Energy: 1.1080741579875355
Energy: 1.005608996163364
Energy: 1.0996638007546493
Energy: 1.4847083012976616
Energy: 1.0383122138576597
Energy: 1.0450106025484638
Energy: 1.120410168096175
Energy: 1.045646594209597
Energy: 1.0550800253878994
Energy: 1.4859327221837688
Energy: 1.0146542998962733
Energy: 1.0147749200773388
Energy: 1.110929704940122
Energy: 1.0149542312516455
Energy: 1.0512541002886868
Energy: 1.1531457123221704
Energy: 1.012344506280678
Energy: 0.997432371660664
Energy: 1.0013374602702902
Energy: 1.0149166998122658
Energy: 1.0003152789582
Energy: 1.1459043028262397
Energy: 1.0701103527512574
Energy: 1.0158244424635963
Energy: 0.9976585111697076
Energy: 1.0714282474805987
Energy: 0.9956285475756987
Energy: 1.3855766141176717
Energy: 0.9883481116426325
Energy: 0.9863877510068801
Energy: 1.0569182404174098
Energy: 1.003796516955441
Energy: 1.0091887287580676
Energy: 1.125289796727647
Energy: 1.0322356608087369
Energy: 1.0321445097961475
Energy: 0.9733288493481005
Energy: 1.050201244146398
Energy: 1.0146730134334006
Energy: 1.0392138246845963
Energy: 1.0441609305139437
Energy: 1.0651855758109314
Energy: 1.032465597932999
Energy: 1.0709431899671926
Energy: 1.034834774817974
Energy: 1.0425563812843772
Energy: 1.2551753472747664
Energy: 1.2220579587804807
Energy: 1.0371271165054734
Energy: 1.2562405668013152
Energy: 1.2292571959769958
Energy: 1.2050216204564093
Energy: 1.1013012394895672
Energy: 1.0821019554162588
Energy: 1.076687794815792
Energy: 1.110199494724011
Energy: 1.0561908744535724
Energy: 1.1988805656702917
Energy: 1.0759051263684634
Energy: 1.083709216548702
Energy: 1.0290456249103357
Energy: 1.0843465018631333
Energy: 1.0409264917736032
Energy: 1.4084983233849249
Energy: 1.0731104735671642
Energy: 1.0143469106862637
Energy: 0.9983190614098749
Energy: 1.0633505569217863
Energy: 1.09164152383943
Energy: 1.2847280364245723
Energy: 1.069749572016809
Energy: 1.0750498354653029
Energy: 1.0149592282341457
Energy: 1.104630652491669
Energy: 1.04868919706546
Energy: 1.2854609957719747
Energy: 0.9864957321328182
Energy: 0.9849802722644075
Energy: 1.015479437508543
Energy: 0.9856527755700338
Energy: 1.005413781768078
Energy: 1.606492202496566
Energy: 0.9496130450714488
Energy: 0.9407307085376361
Energy: 1.0519666074771017
Energy: 0.9497507975149238
Energy: 0.9779525936839719
Energy: 1.6916552751876512
Energy: 1.0227212720603283
Energy: 0.955137810738826
Energy: 1.0285415993601246
Energy: 1.0145552873172494
Energy: 0.9866402967943504

minimum gb energy = 0.898980928865753 eV
minimum distance =  2.33127397071472 Angstroms
sigma value = 51


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

Energy: 1.5666183052086857
Energy: 1.8752270094872276
Energy: 1.6696276382213358
Energy: 1.1154766994892227
Energy: 1.0500351758730557
Energy: 1.288985430846243
Energy: 1.6883401383283358
Energy: 0.9694771328217112
Energy: 0.9698354969281233
Energy: 0.9739978448296387
Energy: 0.9694791040639706
Energy: 0.9195081940936491
Energy: 1.4343706314226323
Energy: 0.941081654853698
Energy: 0.9466703804906029
Energy: 0.9722054523219623
Energy: 0.9417395371160812
Energy: 0.9711436871248338
Energy: 1.4032297463125585
Energy: 0.9466077129232179
Energy: 0.9466162253976207
Energy: 0.9823292592380376
Energy: 0.9868630176989261
Energy: 1.012249161864003
Energy: 1.5185061329786622
Energy: 1.0096398108474907
Energy: 1.014795505143344
Energy: 1.014131649608477
Energy: 1.0095775418486166
Energy: 0.9796846238304346
Energy: 1.1815458173822295
Energy: 1.0052541242345194
Energy: 1.001252596301807
Energy: 0.9885261153855301
Energy: 1.0147419443019567
Energy: 0.9964674241591128
Energy: 1.1811991592549809
Energy: 0.9674672967387566
Energy: 0.9824310712803314
Energy: 0.9886515857779421
Energy: 0.9676890771781073
Energy: 0.9808064408048406
Energy: 1.3621253344830988
Energy: 1.018333789583605
Energy: 1.0183512203888647
Energy: 1.1526645592983713
Energy: 1.0185991131235137
Energy: 1.0451117768749363
Energy: 0.9678827112639979
Energy: 1.018539002347826
Energy: 1.0450365883546693
Energy: 0.9679395473060853
Energy: 1.018421595846258
Energy: 0.9768349108568594
Energy: 0.9378507722742091
Energy: 0.9757625133166926
Energy: 0.944690845777009
Energy: 0.9372140010448984
Energy: 0.9772271523277327
Energy: 0.9370689697474672
Energy: 1.0338108539718007
Energy: 1.024898770966418
Energy: 1.0530674979640635
Energy: 1.033550709347383
Energy: 1.0257101157705657
Energy: 1.001436363112536
Energy: 1.166079194206255
Energy: 0.9792454201571419
Energy: 0.9447808693517782
Energy: 1.0510176463497196
Energy: 0.9783377762475075
Energy: 0.9604732922518803
Energy: 1.0174645861955618
Energy: 1.030548048200417
Energy: 1.030792618156839
Energy: 0.9675891112342353
Energy: 1.0357948637053112
Energy: 0.9405859461483197
Energy: 1.0497538929913397
Energy: 1.0734551876965224
Energy: 1.00106578797629
Energy: 1.2444756687003824
Energy: 1.073848139237918
Energy: 0.9999384963206169
Energy: 1.2812137790614735
Energy: 1.0179032307681282
Energy: 1.01782876417933
Energy: 0.9364142663449311
Energy: 0.9864639009408019
Energy: 1.0189983448353928
Energy: 1.2832201261232035
Energy: 0.9405334835378477
Energy: 0.945484250884291
Energy: 1.01437746621776
Energy: 0.9343284877668815
Energy: 0.9614589939097328
Energy: 1.4906546424463707
Energy: 0.9380102942391418
Energy: 0.9401569092469926
Energy: 1.0385216043573415
Energy: 0.9340515837607068
Energy: 0.9622823202151793
Energy: 1.5237719067863935
Energy: 1.0201190121650712
Energy: 0.9593227332826418
Energy: 1.0193622216794793
Energy: 1.0201890538813931
Energy: 0.9888153102618412

minimum gb energy = 0.9195081940936491 eV
minimum distance =  2.34716455539178 Angstroms
sigma value = 19


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

Energy: 1.4312433159922122
Energy: 0.9848273730295589
Energy: 1.0964764821602344
Energy: 1.075654473614642
Energy: 1.3968005383048312
Energy: 1.1006621269379704
Energy: 1.5133972372230255
Energy: 0.9267105907822732
Energy: 0.9247461881584517
Energy: 1.0248232272832007
Energy: 0.9271959019405631
Energy: 0.9240348858670655
Energy: 1.51299911932809
Energy: 0.9244618826638463
Energy: 0.9243671620729635
Energy: 1.0409951247334548
Energy: 0.9242852636426601
Energy: 0.9280591528724396
Energy: 1.182380646594416
Energy: 1.1101856898084406
Energy: 1.1240612970083368
Energy: 1.03904200548362
Energy: 1.124042681646046
Energy: 1.110428416832005
Energy: 1.4985026174352054
Energy: 1.0389874525046443
Energy: 1.048694795545901
Energy: 1.1185776983175066
Energy: 1.0453302417628951
Energy: 1.073091371287717
Energy: 1.2082428386757118
Energy: 0.9451614085345053
Energy: 1.0584033699748543
Energy: 1.0895454533040159
Energy: 0.9436418064638731
Energy: 1.1039893892129256
Energy: 1.2063852367329888
Energy: 1.050546612010818
Energy: 1.0921186741918734
Energy: 1.0866437526307369
Energy: 1.0183094389732061
Energy: 1.0909101662720158
Energy: 1.282888185299496
Energy: 1.0402361659612231
Energy: 1.040164532401798
Energy: 1.2877849163278965
Energy: 1.040161824238717
Energy: 1.0401253295318964
Energy: 0.9974880690416008
Energy: 1.040125132599278
Energy: 0.9990306553140541
Energy: 0.9939446882916292
Energy: 1.0401614888486157
Energy: 0.9423749858120459
Energy: 1.0012081280309553
Energy: 1.0721967106618284
Energy: 0.9975906190298844
Energy: 0.998085291703424
Energy: 1.141232900639806
Energy: 0.9972240370298342
Energy: 1.1124048231101615
Energy: 1.03990207479327
Energy: 1.0397380064054818
Energy: 1.1097535919779677
Energy: 1.0398189438910639
Energy: 1.112197192684799
Energy: 1.2805008175718127
Energy: 1.0654922696114564
Energy: 1.075119720209191
Energy: 1.006840825777354
Energy: 1.1125246199654524
Energy: 1.036477286926314
Energy: 0.946073884994398
Energy: 1.0877822720152202
Energy: 1.0993843533890646
Energy: 0.9446873644476032
Energy: 1.0841075328057062
Energy: 1.041384390590042
Energy: 1.402361430563815
Energy: 1.0879807067641398
Energy: 1.0875707059958828
Energy: 1.0286560424646283
Energy: 1.087616791834641
Energy: 1.08578011123932
Energy: 1.3115405928914678
Energy: 1.058750738752841
Energy: 1.079116557296403
Energy: 1.0405255315287225
Energy: 1.0520928877181737
Energy: 1.0112236208853045
Energy: 1.3115490413422783
Energy: 1.0615622466490378
Energy: 0.9806184786418011
Energy: 1.0400558054662903
Energy: 1.0665504914134563
Energy: 1.0401826257975384
Energy: 1.469669835069311
Energy: 1.0101283298897907
Energy: 1.0054330188814233
Energy: 1.1221332740730035
Energy: 0.9975424709392421
Energy: 1.0119671683084484
Energy: 1.1824648048222532
Energy: 1.1090257149879437
Energy: 1.0128392259782655
Energy: 1.0393661109620238
Energy: 0.9988250349795739
Energy: 1.0080191604887607
Energy: 1.1826581187658016
Energy: 1.0020217233227247
Energy: 1.0020803735725285
Energy: 1.0387442214270977
Energy: 1.0020519800025176
Energy: 1.038802361824873
Energy: 1.446076670808716
Energy: 0.9452243540659967
Energy: 1.0435642860398897
Energy: 1.1234828476362309
Energy: 0.9453340209068363
Energy: 1.0627644519128094
Energy: 1.2193357496328878
Energy: 1.0534556779883413
Energy: 1.082866899001471
Energy: 1.0887249573522781
Energy: 1.0442208645065056
Energy: 1.089925395284329
Energy: 1.2103169171100518
Energy: 1.094735509372115
Energy: 1.0688104392889388
Energy: 1.0521261290915171
Energy: 1.082893976262326
Energy: 1.0530373972363758
Energy: 1.3123766231763905
Energy: 1.0403091697092246
Energy: 1.0701666468426485
Energy: 1.2897393304373634
Energy: 1.0866154237924364
Energy: 1.070144072332946
Energy: 1.010669389346132
Energy: 1.1276084961284099
Energy: 1.0580082744169501
Energy: 0.9990782812938446
Energy: 1.0066235087478612
Energy: 1.0098639491972314
Energy: 1.0042045996348563
Energy: 1.0313406012279787
Energy: 1.0232307881151037
Energy: 1.0000323068073518
Energy: 1.1187184138299804
Energy: 1.0086639118692249
Energy: 1.3340290038903606
Energy: 1.0366390075060081
Energy: 1.0365057416230894
Energy: 1.1218037816250788
Energy: 1.0369145188553448
Energy: 1.151916756391488
Energy: 1.2878907811668567
Energy: 1.0524376686873835
Energy: 1.0653264641312536
Energy: 1.0366875618618125
Energy: 1.1107225687965199
Energy: 1.0389884586242624
Energy: 0.9435070787591692
Energy: 1.0633145820921823
Energy: 1.0596288227779616
Energy: 0.9435719651794627
Energy: 1.0593975726702556
Energy: 1.0617246410057135
Energy: 1.5128129923901654
Energy: 1.0874418560315429
Energy: 1.0040736659587406
Energy: 0.929028321260042
Energy: 1.0140658494579942
Energy: 1.0869489632700189
Energy: 1.389557694264587
Energy: 0.9846104260076997
Energy: 0.973404063793257
Energy: 1.040414273697462
Energy: 0.9641456349279346
Energy: 1.0797834106205335

minimum gb energy = 0.9240348858670655 eV
minimum distance =  2.33887260945375 Angstroms
sigma value = 27


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

Energy: 1.1278672170343478
Energy: 1.1921316193198486
Energy: 1.5477602830165338
Energy: 1.0182473161920822
Energy: 1.186668933137549
Energy: 1.5480113989301776
Energy: 1.4997207184332153
Energy: 0.880590309878997
Energy: 0.8852142432802002
Energy: 0.8684958858427319
Energy: 0.8808270023950956
Energy: 0.8853525508148427
Energy: 1.4271913325148038
Energy: 0.9721423688722075
Energy: 0.972002907947386
Energy: 0.8989167571174063
Energy: 0.9723875223276469
Energy: 0.9727305606274128
Energy: 1.4590150050217592
Energy: 0.9918087900454894
Energy: 0.9731039679443183
Energy: 1.0234418313913405
Energy: 1.0605199514122938
Energy: 0.9190153362107439
Energy: 1.3888187070018585
Energy: 0.9311001157083172
Energy: 0.9059661589335319
Energy: 0.8988528855899524
Energy: 0.9597901488488484
Energy: 0.9064212777543587
Energy: 0.9791715752512784
Energy: 0.9568964876109624
Energy: 0.9352704728212651
Energy: 0.9791943713338354
Energy: 0.9653581058964581
Energy: 0.9358056643031394
Energy: 0.8813973858068022
Energy: 0.8778606936168077
Energy: 0.9670100751205014
Energy: 0.8818791404379539
Energy: 0.8902579899996959
Energy: 0.9354952388831468
Energy: 0.9934950250019474
Energy: 1.0764530851491887
Energy: 1.0509030701224482
Energy: 0.9937987936962687
Energy: 1.084082556526371
Energy: 1.051136222902875
Energy: 1.0981687537937597
Energy: 0.8932971938350086
Energy: 0.8597297040457039
Energy: 0.9114374053875895
Energy: 0.9039065928746497
Energy: 0.8596045552483234
Energy: 0.9849251290280884
Energy: 0.8781538009589158
Energy: 0.9370836143864673
Energy: 0.903224818129999
Energy: 0.9530627519219802
Energy: 0.9073018925733537
Energy: 0.9844398898917479
Energy: 0.8982668119198559
Energy: 0.9184048157550173
Energy: 0.9113597178550685
Energy: 0.9241687112012396
Energy: 0.8985435632315372
Energy: 1.4139322566349757
Energy: 0.9114340363706271
Energy: 0.8852726217657557
Energy: 0.8781355562829329
Energy: 0.9115545662791615
Energy: 0.8851504932155375

minimum gb energy = 0.8596045552483234 eV
minimum distance =  2.34591792607588 Angstroms
sigma value = 9


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

Energy: 1.6980950502568497
Energy: 1.616877135515794
Energy: 1.046615303954182
Energy: 1.054712035728278
Energy: 1.2836084113488755
Energy: 1.054871880561019
Energy: 1.2033690063370193
Energy: 0.7990019900865117
Energy: 0.8297322391762711
Energy: 0.9216431937470482
Energy: 0.832911098200719
Energy: 0.824738523854543
Energy: 1.1240581680801183
Energy: 0.8617127676586126
Energy: 0.7822471794348538
Energy: 0.8283302210358899
Energy: 0.8416068296130473
Energy: 0.8684866552544103
Energy: 1.0894358849206514
Energy: 0.9104928164868499
Energy: 0.898492256610591
Energy: 0.8786246298541406
Energy: 0.8746756757337071
Energy: 0.8363605261335114
Energy: 1.1195022993862147
Energy: 0.8172086220617237
Energy: 0.8137187413504819
Energy: 0.960014952749314
Energy: 0.8970786913087416
Energy: 0.9606380287943731
Energy: 0.9708298016373261
Energy: 0.9931779562079885
Energy: 0.8213496691338796
Energy: 0.968231606815124
Energy: 0.8571330128166935
Energy: 0.9795608184320288
Energy: 0.8004292375298804
Energy: 0.8069984716003272
Energy: 0.8063758367025208
Energy: 0.7998628713102397
Energy: 0.806654658212017
Energy: 0.8383574244016819
Energy: 0.8860469554212377
Energy: 0.9073127827846978
Energy: 0.8183927178679091
Energy: 0.8857644325842486
Energy: 0.817055771909456
Energy: 0.8302887489570656
Energy: 1.1135008501887271
Energy: 0.8241134852807249
Energy: 0.8241810696830753
Energy: 0.9201679793764078
Energy: 0.8447871650341965
Energy: 0.8550927919199379
Energy: 1.2956300865916128
Energy: 1.0355864276356825
Energy: 1.0188314245151433
Energy: 0.8093173909870469
Energy: 1.013959853040199
Energy: 0.8135836930381473
Energy: 1.3124855544649003
Energy: 0.8181520744174672
Energy: 0.8157205752039866
Energy: 0.8096811426773134
Energy: 0.9069978821473069
Energy: 0.8678864239104154
Energy: 1.1652313779990073
Energy: 0.8765849484124739
Energy: 0.8868079050504718
Energy: 0.8674240827614025
Energy: 0.8422482405849564
Energy: 0.805031105369881
Energy: 1.5050061399255719
Energy: 1.6166799377752568
Energy: 1.1027515849253164
Energy: 1.024687153747394
Energy: 1.0235764319834764
Energy: 1.0894572016614976
Energy: 1.1656979260733693
Energy: 0.8319799497951607
Energy: 0.8125894049940074
Energy: 0.9339086857158614
Energy: 0.8423601862047502
Energy: 0.8170127931917509
Energy: 0.8849758092754605
Energy: 0.8439852582234842
Energy: 0.8401731628574185
Energy: 0.8200017115667121
Energy: 0.8324748251814792
Energy: 0.8622635670885058
Energy: 0.7855091920693664
Energy: 0.8177289658319868
Energy: 0.8347913044859945
Energy: 0.7843660333446509
Energy: 0.8147010395223558
Energy: 0.8308201879886626
Energy: 0.8341549190655231
Energy: 0.8622133234030728
Energy: 0.8512154186593085
Energy: 0.8350095377633202
Energy: 0.9010699145583412
Energy: 0.8198948042371663
Energy: 1.0135284524183303
Energy: 0.9033903507335372
Energy: 0.8663717902037076
Energy: 0.8314509629647455
Energy: 0.9058549775977282
Energy: 0.9292641823277408
Energy: 0.9170278724058554
Energy: 0.8186386673006097
Energy: 0.819077916784969
Energy: 0.8045922395621419
Energy: 0.8167785708364987
Energy: 0.8141603973643294
Energy: 0.9111441035144817
Energy: 0.818325338042459
Energy: 0.8223341670038206
Energy: 0.8114196959018857
Energy: 0.7919118802909376
Energy: 0.8313105382073563
Energy: 1.1014934381367056
Energy: 0.8271539716649605
Energy: 0.8299352286479775
Energy: 0.8762845384174826
Energy: 0.8105489177917387
Energy: 0.824711318572291
Energy: 1.672925024164047
Energy: 0.9166919312306041
Energy: 1.0505101423411056
Energy: 0.8883406801290261
Energy: 0.8315259375634214
Energy: 1.0169807521969128
Energy: 1.2825582093393457
Energy: 0.8722924954705074
Energy: 0.8790320547536529
Energy: 0.887453040791776
Energy: 0.8332071434019801
Energy: 0.85796402699119
Energy: 1.183157120667784
Energy: 0.7847538830082026
Energy: 0.8345837723331073
Energy: 0.8228427134000161
Energy: 0.7867432144556601
Energy: 0.8119533050909664
Energy: 1.1195764638431556
Energy: 0.9072007609747886
Energy: 0.9914536241126962
Energy: 0.8699061574999117
Energy: 0.8406723634961676
Energy: 1.0174441717272344
Energy: 1.1022504814183027
Energy: 0.8305487069318332
Energy: 0.8165506146645465
Energy: 0.8300050751363233
Energy: 0.8231502990198125
Energy: 0.815678628024836
Energy: 1.4184440064493902
Energy: 0.9933020262884581
Energy: 0.9878841193586018
Energy: 1.4188095148389348
Energy: 1.0071053117524087
Energy: 1.0733136682016606
Energy: 0.889759642517246
Energy: 0.8153349711551084
Energy: 0.8047160092702418
Energy: 0.8906822468772857
Energy: 0.8130320793795425
Energy: 0.8184122029540944
Energy: 0.8633668378176194
Energy: 0.8107412973600512
Energy: 0.8010042945921572
Energy: 0.859229658412953
Energy: 0.8467082672760826
Energy: 0.8453896908384433
Energy: 1.1067038347094893
Energy: 0.9233911596436749
Energy: 0.8184596819698323
Energy: 1.052581538674947
Energy: 0.8340617323766323
Energy: 0.9167540930508515
Energy: 1.3104160781890888
Energy: 0.8186834495672183
Energy: 0.8182278397420455
Energy: 0.8093203667180251
Energy: 0.8281586864521199
Energy: 0.8769394334373364
Energy: 1.2973082420075934
Energy: 0.9353477015901015
Energy: 0.9785027008210032
Energy: 0.8094206657189139
Energy: 0.9370567787806913
Energy: 0.808006671492209
Energy: 1.2121556777285984
Energy: 0.8014085314924949
Energy: 0.8383166851620196
Energy: 0.8206929346707447
Energy: 0.8434199709650619
Energy: 0.8107681348492374
Energy: 1.4866630864100068
Energy: 1.024190330909688
Energy: 1.051383481610983
Energy: 0.8542128397841187
Energy: 1.0243814763298515
Energy: 0.9165131339863417
Energy: 1.2972723265637036
Energy: 0.8739775137437599
Energy: 0.8177419030324955
Energy: 0.847294935304082
Energy: 0.9572223952926202
Energy: 0.8592373146516258
Energy: 0.98276605213054
Energy: 0.8348267189083028
Energy: 0.8280644526219926
Energy: 0.9455596379202276
Energy: 0.8174753372160435
Energy: 0.8696649132806992
Energy: 0.7838699800274075
Energy: 0.8047063118570591
Energy: 0.8136077235946652
Energy: 0.7844109269222346
Energy: 0.8692059579125896
Energy: 0.8042754587575172
Energy: 0.7860807626689646
Energy: 0.8227039967814634
Energy: 0.8246318541781944
Energy: 0.7863501161816604
Energy: 0.876798744145489
Energy: 0.8238038925394272
Energy: 0.9166552951090814
Energy: 1.0090744770757645
Energy: 1.005908248855653
Energy: 0.9169259089836435
Energy: 1.009440560748778
Energy: 1.179268909530555
Energy: 0.9231338407507124
Energy: 0.8238883433046631
Energy: 0.8245100192559646
Energy: 0.8100430470861704
Energy: 0.8726191840185928
Energy: 0.8141877552931497
Energy: 0.845209771397542
Energy: 0.8500897495138217
Energy: 0.8191990219887885
Energy: 0.8091086251494277
Energy: 0.839739430681353
Energy: 0.8300482745733854
Energy: 0.9754676622341532
Energy: 0.8170328967233212
Energy: 0.8197138765814811
Energy: 0.8593704890333241
Energy: 0.8092435480435554
Energy: 0.8147288859310798
Energy: 1.2798094230783037
Energy: 0.8717630044908565
Energy: 0.8313028173910162
Energy: 0.8889459990900237
Energy: 0.8325900004390772
Energy: 0.8488079756310265

minimum gb energy = 0.7822471794348538 eV
minimum distance =  2.35698078711305 Angstroms
sigma value = 57


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

Energy: 0.4390362051330474
Energy: 1.330927745329292
Energy: 0.4918074648144867
Energy: 0.4395348648746126
Energy: 1.3077073083751891
Energy: 0.4727764979365967
Energy: 0.5305160978720105
Energy: 0.48657675911457055
Energy: 0.48735211026914754
Energy: 0.503360975273186
Energy: 0.4740902760819724
Energy: 0.4922916040210266
Energy: 0.5299234240093228
Energy: 0.5028444744109178
Energy: 0.5027755097126216
Energy: 0.5148642168760471
Energy: 0.5028070305740701
Energy: 0.5027990750227777
Energy: 0.5298188383422422
Energy: 0.5028617114004875
Energy: 0.5041054063954338
Energy: 0.5018866337314384
Energy: 0.5030412115116121
Energy: 0.5037581064659643
Energy: 0.5302309606170236
Energy: 0.48279260244089206
Energy: 0.4827943618209873
Energy: 0.5024731068227487
Energy: 0.4393863664384765
Energy: 0.48645157787067433
Energy: 0.4837757779239724
Energy: 0.47271760726786705
Energy: 0.48277042858266994
Energy: 0.47521505156385485
Energy: 0.4392815905243841
Energy: 0.4827484319125966
Energy: 0.48123464996511234
Energy: 0.4865007775085308
Energy: 0.4851900514263683
Energy: 0.5036465032746732
Energy: 0.4864194197128878
Energy: 0.4858729756065052
Energy: 0.48218815773505874
Energy: 0.5035440424349221
Energy: 0.5036088601253896
Energy: 0.5029298213309671
Energy: 0.5336701061660473
Energy: 0.5037649370980768
Energy: 0.5308659330222391
Energy: 0.48674521316155883
Energy: 0.5005000121176308
Energy: 0.5019499665552257
Energy: 0.5142797793054015
Energy: 0.5025726581283682
Energy: 0.43925680195556516
Energy: 0.5018429410214903
Energy: 0.4828252315732047
Energy: 0.4392881010875179
Energy: 0.5028761380350244
Energy: 0.48278569774285574
Energy: 0.43930911754483903
Energy: 0.4866177497324976
Energy: 0.4868226359987023
Energy: 0.4393481797797833
Energy: 0.47408859609293413
Energy: 0.4827684867474861
Energy: 0.5299686495712669
Energy: 0.5065516477984108
Energy: 0.506608092199413
Energy: 0.4864425265279313
Energy: 0.5015475802618643
Energy: 0.49980211355321713
Energy: 0.5304230833406973
Energy: 0.5498501952376018
Energy: 0.5499001587306117
Energy: 0.5345363095740338
Energy: 0.5499735490299987
Energy: 0.5345055069345502
Energy: 0.5303996401187987
Energy: 0.5025473006353488
Energy: 0.5012310639202802
Energy: 0.501639733260889
Energy: 0.5033752065384132
Energy: 0.4869201881847015
Energy: 0.6792860957443076
Energy: 0.4734714537090498
Energy: 0.4736149289860884
Energy: 0.6415818296113779
Energy: 0.4392084093710042
Energy: 0.48283915211800454
Energy: 0.4822991314122495
Energy: 0.4826491587029667
Energy: 0.4827127378525807
Energy: 0.49586012630624837
Energy: 0.46002215498894783
Energy: 0.492239283019289
Energy: 0.4819743020897976
Energy: 0.5154970298855053
Energy: 0.5072020941336504
Energy: 0.5026641781102078
Energy: 0.5153371881213782
Energy: 0.5027015714464819
Energy: 0.5291640610182989
Energy: 0.5337024977707323
Energy: 0.5036880391879429
Energy: 0.5494587229383572
Energy: 0.5152652974134909
Energy: 0.5039484203814194
Energy: 0.43954309741403114
Energy: 0.48649341791718753
Energy: 0.48652771488897517
Energy: 0.43977137476554323
Energy: 0.48662145838426196
Energy: 0.48722661406447354

minimum gb energy = 0.4390362051330474 eV
minimum distance =  2.41384734505632 Angstroms
sigma value = 11


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

Energy: 1.4195786769515064
Energy: 1.828126969803083
Energy: 1.4147466604737922
Energy: 1.20710499052395
Energy: 1.764535059286342
Energy: 1.417069687910873
Energy: 0.8907932635494691
Energy: 0.6830932041317425
Energy: 0.789488786971726
Energy: 0.7524244058106677
Energy: 0.7396438305503759
Energy: 0.7882799669387426
Energy: 0.6489008750476765
Energy: 0.6777498962478613
Energy: 0.679738179915039
Energy: 0.671580968763251
Energy: 0.675200978713218
Energy: 0.6736375708574316
Energy: 0.6493146639724485
Energy: 0.6686944227183471
Energy: 0.6725795224172593
Energy: 0.6536883030811803
Energy: 0.6880132806461675
Energy: 0.6798154763835808
Energy: 0.7542541474473073
Energy: 0.7949626965341833
Energy: 0.7948686481358767
Energy: 0.7541021749539073
Energy: 0.88528793694321
Energy: 0.8064294804535426
Energy: 1.2659736179024297
Energy: 1.0797963024069905
Energy: 1.0067605393124859
Energy: 1.0004075084991062
Energy: 0.8823090343254432
Energy: 0.8675851434325113
Energy: 0.8668657294521139
Energy: 0.7654428349730652
Energy: 0.7534994234619393
Energy: 0.7591862188632189
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Energy: 0.7509429848505225
Energy: 0.7783829465591744
Energy: 0.8165730843561432
Energy: 0.8092797628730027
Energy: 0.6782645465832746
Energy: 0.808157287052925
Energy: 0.8230786805459777
Energy: 0.8645969914199312
Energy: 0.778681989188979
Energy: 0.7482508659438023
Energy: 0.7568150782799685
Energy: 0.7634565572477112
Energy: 0.7447986889677631
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Energy: 0.9053365485430296
Energy: 0.8705770332686341
Energy: 1.084847689780469
Energy: 0.8829295357465922
Energy: 0.8406147063758053
Energy: 1.3597928112550972
Energy: 0.7395098557990927
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Energy: 0.8843678713683915
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Energy: 0.7950768044953727
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Energy: 0.6689919557578735
Energy: 0.8450463270465444
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Energy: 0.8399716332542998
Energy: 0.8557893913542945
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Energy: 0.8657079620581901
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Energy: 0.6559130252881104
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Energy: 0.8916057293307789
Energy: 0.7867054303648616
Energy: 0.7872897455200744
Energy: 0.8929566896420175
Energy: 0.7914378888459002
Energy: 0.7903609119832038
Energy: 0.9814781861677976
Energy: 1.0844305583864509
Energy: 1.074916620055941
Energy: 0.9851406490434461
Energy: 1.0977801352763756
Energy: 1.3309592965851642
Energy: 1.2374609466667639
Energy: 0.8698740099157263
Energy: 0.7915939618791119
Energy: 0.9049360827165897
Energy: 0.8923772667071912
Energy: 0.7872062708818317
Energy: 1.1014309734554155
Energy: 1.2191336461572968
Energy: 1.0020281349903766
Energy: 0.9389827770546023
Energy: 1.1198858290669524
Energy: 0.8740190799984572
Energy: 1.2264157477365583
Energy: 0.9072377642552071
Energy: 0.8026481254491691
Energy: 0.8923959804599524
Energy: 0.9007978907071991
Energy: 0.7872070929978083
Energy: 1.1726144738385216
Energy: 0.8765182150096572
Energy: 0.8356437079248621
Energy: 0.8876857820118677
Energy: 0.8675460852262805
Energy: 0.8016430458389772
Energy: 0.9418594820947479
Energy: 1.081239475663145
Energy: 0.9418721915297955
Energy: 0.822687261515452
Energy: 1.0433480722772848
Energy: 0.8869593907343035
Energy: 1.1586242361598844
Energy: 0.8580095851506859
Energy: 0.7995797299445668
Energy: 0.8823757003954023
Energy: 0.8780637147146468
Energy: 0.7987424164215811
Energy: 0.9488926600347357
Energy: 1.1968872747819448
Energy: 1.1868803985130671
Energy: 0.949060917390494
Energy: 1.2192189983107606
Energy: 1.4179975688378992
Energy: 0.8777111916827288
Energy: 0.8081830947714567
Energy: 0.7977599843701232
Energy: 0.8778877294009869
Energy: 0.8161986080893345
Energy: 0.8009446406759786
Energy: 0.7574076260071503
Energy: 0.6801409777803993
Energy: 0.7723890899117263
Energy: 0.7631449251198746
Energy: 0.6745170551064933
Energy: 0.7590698216068399
Energy: 0.8927396487793097
Energy: 0.6814561385760407
Energy: 0.7918944001173712
Energy: 0.9007085940151108
Energy: 0.6682307888271612
Energy: 0.7645609628765903
Energy: 1.4856452105199764
Energy: 0.8085149127260195
Energy: 0.7898716112197027
Energy: 0.879312354284921
Energy: 0.7454226128645205
Energy: 0.802412945582366

minimum gb energy = 0.6489008750476765 eV
minimum distance =  2.34675222415613 Angstroms
sigma value = 41


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

Energy: 1.3993985453802495
Energy: 1.7149967151208425
Energy: 1.4868924580528688
Energy: 1.1213695672879964
Energy: 1.6819307933577663
Energy: 1.122100857478282
Energy: 1.0670745548425145
Energy: 0.8668773690299605
Energy: 0.8120630028298412
Energy: 0.8147594510904674
Energy: 0.8752604383944204
Energy: 0.8109033550473376
Energy: 0.7325212319230254
Energy: 0.7215714318956771
Energy: 0.7276937161680481
Energy: 0.7095554310118207
Energy: 0.7246934888627735
Energy: 0.713719762107722
Energy: 0.7325770663401515
Energy: 0.7060563375576626
Energy: 0.7153173413025707
Energy: 0.6886715209768514
Energy: 0.7172709852367755
Energy: 0.7050352177468799
Energy: 0.8504807516662863
Energy: 0.9196681081950911
Energy: 0.91967091989051
Energy: 0.8504954255980781
Energy: 0.8706971239665114
Energy: 0.8116469771796353
Energy: 1.3003406395864296
Energy: 1.007963227279516
Energy: 0.9509137873157086
Energy: 1.0557344674084421
Energy: 0.8404072616814797
Energy: 1.0489530152017503
Energy: 1.0030940967238118
Energy: 0.8550481276247991
Energy: 0.8170451608922354
Energy: 0.8468394672443192
Energy: 0.842867505431847
Energy: 0.8237547373577475
Energy: 0.8912543486031472
Energy: 0.9092112672183846
Energy: 0.9410273118205387
Energy: 0.7038315690140257
Energy: 0.8871161885806252
Energy: 0.7228275448102776
Energy: 1.0547771518472409
Energy: 0.8208804622954289
Energy: 0.8225249269338751
Energy: 0.8328094657757151
Energy: 0.8310154737323457
Energy: 0.8306118102917237
Energy: 1.0632022259209095
Energy: 0.9833455635478797
Energy: 0.9537502688336207
Energy: 0.9313145347343859
Energy: 0.9842294250341436
Energy: 0.9751070008787049
Energy: 1.0307176755066387
Energy: 0.9829034259424142
Energy: 0.9209314770338775
Energy: 0.6971799305833173
Energy: 0.9798070107967075
Energy: 0.9207473358783994
Energy: 1.3507473906272223
Energy: 0.7117061055929239
Energy: 0.9192598329689329
Energy: 1.1131543656318694
Energy: 0.6995046840999516
Energy: 0.9682657713494477
Energy: 0.9723890035344179
Energy: 0.821967406653725
Energy: 0.9652173463970213
Energy: 0.9726250712533612
Energy: 0.6995061573193938
Energy: 0.9630873342659125
Energy: 0.8401568071788836
Energy: 0.8199743707054452
Energy: 0.8156140050677027
Energy: 0.8535531839307081
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Energy: 0.8351524572256845
Energy: 0.9080079109556531
Energy: 0.9640709543027681
Energy: 0.925674843090884
Energy: 0.903565648784185
Energy: 0.9348120788987841
Energy: 0.9645497453481486
Energy: 1.0524474073513768
Energy: 0.7204442155899666
Energy: 0.811088162370418
Energy: 0.846440740133502
Energy: 0.871509416137123
Energy: 0.8172815830405894
Energy: 1.3958251160033728
Energy: 0.8993711555026739
Energy: 0.9416709741320514
Energy: 1.0800162384935024
Energy: 0.8637939407235311
Energy: 1.1116683740864526
Energy: 1.4275790655747504
Energy: 0.8686037836152944
Energy: 0.8101390010221398
Energy: 1.0142445453739393
Energy: 0.8704525975366539
Energy: 0.9203668615421671
Energy: 0.6947372512737581
Energy: 0.7175723608481134
Energy: 0.720593824963198
Energy: 0.7278613245750849
Energy: 0.7209215953202454
Energy: 0.7204248411840317
Energy: 0.8142586959642931
Energy: 0.725507750723757
Energy: 0.7113832002358531
Energy: 0.7097198105286414
Energy: 0.7231815786219041
Energy: 0.7099246419810727
Energy: 0.8462912563439767
Energy: 0.8115528733247327
Energy: 0.8118103626010895
Energy: 0.8463417282320654
Energy: 0.8140305365522825
Energy: 0.8126664958719891
Energy: 1.3405513883729965
Energy: 1.307921925020146
Energy: 1.3057323772038396
Energy: 1.2461452519448666
Energy: 1.3106474279502187
Energy: 1.3065382899042812
Energy: 1.023745195752492
Energy: 0.8139448377798362
Energy: 0.8113845972148979
Energy: 0.8461736473550043
Energy: 0.8361165673834292
Energy: 0.8124674449855673
Energy: 0.8911022011615982
Energy: 0.953091145796403
Energy: 0.9589309275138199
Energy: 0.7037895254548004
Energy: 0.8975125296936092
Energy: 0.728307112279388
Energy: 1.042782291665769
Energy: 0.8386201310481572
Energy: 0.8161725760020732
Energy: 0.8336183961858591
Energy: 0.8320777710617614
Energy: 0.8159578748789527
Energy: 1.0321232660573034
Energy: 0.9796539707065337
Energy: 0.9441442584102646
Energy: 0.6971774747068593
Energy: 0.9796046247625514
Energy: 0.9207958458670725
Energy: 0.950783555732961
Energy: 0.983452131673702
Energy: 0.9646509602370825
Energy: 0.6969662238101653
Energy: 0.9834869803588201
Energy: 0.9769966598642695
Energy: 1.3495491718519665
Energy: 0.8135721979017092
Energy: 0.9206945824160203
Energy: 0.979902019415838
Energy: 0.6991067852277223
Energy: 0.9211730197249999
Energy: 1.211965716364535
Energy: 1.1246171141420875
Energy: 1.1248296763685077
Energy: 1.2119276235416245
Energy: 1.0882290809959099
Energy: 1.1219127700903218
Energy: 0.9934315162576199
Energy: 0.920578274764507
Energy: 0.9224510334351983
Energy: 0.9932496654059348
Energy: 0.8237876977977742
Energy: 0.9527187622753752
Energy: 0.8981777940925967
Energy: 0.9320745125909687
Energy: 0.9254056192714188
Energy: 0.8974016204448371
Energy: 0.9140458131460268
Energy: 0.8441561332254875
Energy: 0.9849530901656769
Energy: 0.8333864637288232
Energy: 0.8127450484566969
Energy: 0.8454700824176402
Energy: 0.7210428632506362
Energy: 0.812992975293748
Energy: 1.197488199959229
Energy: 0.8670047048261543
Energy: 0.9534496615295665
Energy: 0.8122235669168293
Energy: 0.8707367501835865
Energy: 0.9189808800290038

minimum gb energy = 0.6886715209768514 eV
minimum distance =  2.34884690662333 Angstroms
sigma value = 33


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

Energy: 1.0046901967134352
Energy: 1.6643626498634538
Energy: 1.2893257426262108
Energy: 1.0087132370270877
Energy: 1.6484028251094034
Energy: 1.2893269509678162
Energy: 1.1330135411660538
Energy: 0.9093203365262075
Energy: 0.8854564612087154
Energy: 0.8917617527290758
Energy: 0.9322563089276603
Energy: 0.8956766720100886
Energy: 0.7619214721896189
Energy: 0.7528334154576282
Energy: 0.7553903799818543
Energy: 0.7486462284760527
Energy: 0.7691827952593722
Energy: 0.7444788558905667
Energy: 0.7795977437162394
Energy: 0.7451025980666207
Energy: 0.7503861446267458
Energy: 0.7496281840958242
Energy: 0.7480870333481301
Energy: 0.7558375907284228
Energy: 0.9208585268049849
Energy: 0.75672441256341
Energy: 0.8897018557323533
Energy: 0.9185758834553915
Energy: 0.8446508223589098
Energy: 0.9098522409229737
Energy: 1.1177456778658308
Energy: 1.0008519083845453
Energy: 1.0016064385864403
Energy: 0.9158165074345519
Energy: 0.7482830462703709
Energy: 1.0124710842489715
Energy: 1.1607084095498976
Energy: 0.8938819687705768
Energy: 0.894273879740916
Energy: 0.9160578406195549
Energy: 0.9170392767172016
Energy: 0.8942497037818469
Energy: 1.004662665375755
Energy: 1.0265087725615532
Energy: 0.7676800051120876
Energy: 0.7584810820210277
Energy: 1.0203831494232438
Energy: 0.7711233717885075
Energy: 0.7582371351063899
Energy: 0.8883303065919894
Energy: 0.8945643749228083
Energy: 0.7394668242465557
Energy: 0.9059887359290063
Energy: 0.8895719521534401
Energy: 1.1627251045924922
Energy: 0.9986636802896394
Energy: 0.9079040438842404
Energy: 0.7678443938186251
Energy: 1.0176986519138422
Energy: 0.923242397548771
Energy: 1.1623172685521352
Energy: 0.9187300391001096
Energy: 0.8966170691628986
Energy: 0.737178791000629
Energy: 0.9137835985152966
Energy: 0.893504195053187
Energy: 1.1233381117323595
Energy: 0.7450860493391339
Energy: 1.033214894720074
Energy: 0.9365331914688796
Energy: 0.7436296812166033
Energy: 1.0611125890525508
Energy: 0.9117780366226798
Energy: 0.7449813208276571
Energy: 1.0614193756089796
Energy: 0.9363844687335541
Energy: 0.7436833014137898
Energy: 1.074567779284282
Energy: 0.7363822095374696
Energy: 0.7443259596741815
Energy: 0.7586086441647735
Energy: 0.7367543998966527
Energy: 0.752167869707856
Energy: 0.7589940778615953
Energy: 0.7797670963162392
Energy: 0.8105172435989321
Energy: 0.8140106697517727
Energy: 0.7452406961576395
Energy: 0.7490624272334643
Energy: 0.856598374537536
Energy: 0.7368625721721709
Energy: 0.7618403887756054
Energy: 0.7677216381170597
Energy: 0.7572011255900674
Energy: 0.7513890473259575
Energy: 0.7456269046575171
Energy: 1.3604394486216822
Energy: 0.9154288495186612
Energy: 1.0471869699224958
Energy: 1.0450748610858904
Energy: 0.9155344764856093
Energy: 1.0405525047857451
Energy: 1.1676941819837345
Energy: 0.9099340287431131
Energy: 0.9094848474124267
Energy: 0.825423549391087
Energy: 0.9244905615632064
Energy: 0.8857648199673565
Energy: 1.1057565258214914
Energy: 0.7423772759910634
Energy: 0.7540192092584126
Energy: 0.9187723189170349
Energy: 0.7590321437890795
Energy: 0.8892533757581439
Energy: 0.9053194805891535
Energy: 0.7503942300817035
Energy: 0.759362296355229
Energy: 0.9051922816617638
Energy: 0.7595823129204095
Energy: 0.8884548906125587
Energy: 0.9164171382589673
Energy: 0.8894902771307922
Energy: 0.8895443800628521
Energy: 0.9073531239335365
Energy: 0.8854984930010914
Energy: 0.8895410399105642
Energy: 1.0241423229457716
Energy: 1.0697126186450032
Energy: 1.0293956923117282
Energy: 1.0196088015065508
Energy: 1.0288462568818755
Energy: 1.072228678886843
Energy: 1.1403447993963576
Energy: 0.885537466086723
Energy: 0.8896340456467366
Energy: 0.9178398794433504
Energy: 0.9294117598694167
Energy: 0.894271317127227
Energy: 1.0055375107876328
Energy: 1.0206377803198603
Energy: 1.2904132736155638
Energy: 1.307130247091156
Energy: 1.002484144606062
Energy: 1.2904402724639885
Energy: 1.5605813195500022
Energy: 0.9253048291613685
Energy: 0.8855464881027733
Energy: 0.8865493217082474
Energy: 0.931733004754902
Energy: 0.8967005926935144
Energy: 0.7797499275114621
Energy: 0.7455925962091661
Energy: 0.7555629444330128
Energy: 0.7506682148104428
Energy: 0.7766822348852273
Energy: 0.7507108308671564
Energy: 0.7625636151059693
Energy: 0.7452454186849005
Energy: 0.7449614230960594
Energy: 0.7487310546749502
Energy: 0.7487814685878937
Energy: 0.7449238965386797
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Energy: 0.8889062823099215
Energy: 0.8917435313995657
Energy: 0.9158817507722563
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Energy: 1.039314252405504
Energy: 1.0125983289356564
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Energy: 0.9107434837258896
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Energy: 1.1646869301569447
Energy: 0.9141751916076871
Energy: 0.9173037970392907
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Energy: 1.039982095483661
Energy: 1.0328374298803777
Energy: 0.9323709203986841
Energy: 0.7450533156133984
Energy: 0.8879602867511585
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Energy: 1.160986596985593
Energy: 1.0209785806677862
Energy: 0.7818693557200499
Energy: 1.2698586263452314
Energy: 0.7366584947816894
Energy: 0.750317179402813
Energy: 0.7500834729874232
Energy: 0.7369008236519743
Energy: 0.7449807766150677
Energy: 0.7570599084451672
Energy: 0.7837309256476491
Energy: 0.8115107409529557
Energy: 0.8170126511487613
Energy: 0.7840983760468698
Energy: 0.7979376086610039
Energy: 0.8159933142388405
Energy: 0.7365908742285119
Energy: 0.7512557276449192
Energy: 0.7503259200844574
Energy: 0.7522318562702182
Energy: 0.7717666701244702
Energy: 0.7494927904126041
Energy: 1.1112908186018826
Energy: 0.9150892082277765
Energy: 0.9302207940185883
Energy: 0.7481290188300429
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Energy: 1.0380161432337218
Energy: 1.1669967041295055
Energy: 0.9091731929932708
Energy: 0.9099925163163245
Energy: 0.8254795597659859
Energy: 0.9114622602676506
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Energy: 1.100766430905469
Energy: 0.7854035998279555
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Energy: 0.9185146470740826
Energy: 0.7702528284325261
Energy: 0.8939652146989727
Energy: 0.9054770078817459
Energy: 0.7712728745496027
Energy: 0.7640522168480389
Energy: 0.9041953486448625
Energy: 0.7591523908932085
Energy: 0.7541404397770753
Energy: 0.8956878934982241
Energy: 0.8892843714273845
Energy: 0.8901187747319489
Energy: 0.911487940945846
Energy: 0.889164162646406
Energy: 0.8897125934814648
Energy: 1.0312976857626406
Energy: 1.0696387223245178
Energy: 1.0722462553425798
Energy: 1.0434990518478298
Energy: 1.0277642495136037
Energy: 1.0720437138380476
Energy: 1.1433891344077796
Energy: 0.8855137456276251
Energy: 0.889392765741514
Energy: 0.9245501249111229
Energy: 0.9156856188955691
Energy: 0.8942887086589538
Energy: 1.4425707721598011
Energy: 1.047032007482179
Energy: 1.2695661344811062
Energy: 0.7809429210774874
Energy: 1.0469133182329287
Energy: 1.1606619247451784

minimum gb energy = 0.7363822095374696 eV
minimum distance =  2.36762202699229 Angstroms
sigma value = 67


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

Energy: 1.2086037419880487
Energy: 1.4806103888984135
Energy: 0.8723868265628095
Energy: 0.8467777561644559
Energy: 1.4646500865468337
Energy: 0.8723957847908473
Energy: 0.7846337176381366
Energy: 0.7804714355520654
Energy: 0.7864225637999783
Energy: 0.7864148719141285
Energy: 0.8657032744520489
Energy: 0.7955834585772319
Energy: 0.8032658298413157
Energy: 0.8082380664244516
Energy: 0.8194107344468525
Energy: 0.8195224704436963
Energy: 0.7647194217619588
Energy: 0.8107292522738851
Energy: 0.8033659267716607
Energy: 0.8105492271363594
Energy: 0.810517529852186
Energy: 0.8161289515967064
Energy: 0.797486163685892
Energy: 0.8104554902449401
Energy: 0.7825302685952352
Energy: 0.7917905181281238
Energy: 0.7958347821347783
Energy: 0.7822600303063576
Energy: 0.7782892247405572
Energy: 0.7958183660521679
Energy: 0.7825194124623456
Energy: 1.03075308604715
Energy: 0.790449926385725
Energy: 0.8509236004051516
Energy: 0.8182597271007318
Energy: 0.7907571733513414
Energy: 0.8331345805826369
Energy: 0.7938152361681853
Energy: 0.7939995908150691
Energy: 0.82186102312817
Energy: 0.7795702468200003
Energy: 0.7881769845177284

minimum gb energy = 0.7647194217619588 eV
minimum distance =  2.38707048185982 Angstroms
sigma value = 3


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

Energy: 1.5523801738817082
Energy: 1.4375458809298955
Energy: 1.1824699950640687
Energy: 1.2295460809790206
Energy: 1.202608848393661
Energy: 1.2117475996422473
Energy: 0.9164178237156275
Energy: 0.9239235144707911
Energy: 0.9136933696069318
Energy: 0.9676744411776821
Energy: 0.8981649839945832
Energy: 0.8570770638073545
Energy: 1.1009719259007111
Energy: 0.9326672307489222
Energy: 0.9347138771973329
Energy: 1.0403419168405559
Energy: 0.8842130987024854
Energy: 0.9623401964433683
Energy: 0.9795978094111434
Energy: 0.9630191417183244
Energy: 0.9990317605638879
Energy: 0.9792325935362836
Energy: 0.9405985878780464
Energy: 0.9363395861611821
Energy: 0.9386635672984903
Energy: 0.9446599026415291
Energy: 0.9503319599670497
Energy: 0.9343789656865352
Energy: 0.91886008029398
Energy: 0.9447146907007491
Energy: 1.0551285201618972
Energy: 0.9112411506461199
Energy: 0.9089314482267895
Energy: 1.0410485941985876
Energy: 0.9169130586297869
Energy: 0.9142670809545185
Energy: 0.9234434132339019
Energy: 0.9905988434777865
Energy: 1.0509238195435264
Energy: 0.9346877952058975
Energy: 0.9535514430011509
Energy: 0.9375485713739861
Energy: 1.4584627386935276
Energy: 1.2794027922221367
Energy: 1.1528689994266343
Energy: 0.9834620517734866
Energy: 1.1105048568356655
Energy: 1.0500638389917936
Energy: 1.3681689627806843
Energy: 1.0806320835555465
Energy: 1.075216924474437
Energy: 1.1032054793662187
Energy: 1.116189083602362
Energy: 1.089980129553071
Energy: 1.2835904134518406
Energy: 0.9785602426711495
Energy: 0.9990543303565697
Energy: 1.2567222990996285
Energy: 0.9812972175696607
Energy: 1.14078342059555
Energy: 1.1039582730905708
Energy: 1.0577550025545153
Energy: 1.0789259934317716
Energy: 1.0902643670309176
Energy: 1.0324873457703647
Energy: 1.1319651208827293
Energy: 0.9286636749679419
Energy: 0.9160042931421291
Energy: 0.9260296212558888
Energy: 0.931885744081078
Energy: 0.9488918856462459
Energy: 0.918834052791304
Energy: 0.8614845529635129
Energy: 0.8969191335123416
Energy: 0.9018837759955498
Energy: 0.8742229427862068
Energy: 0.9505099262256721
Energy: 0.9073299278057892
Energy: 1.004472560809227
Energy: 0.9795671645251336
Energy: 0.9798919820625924
Energy: 1.0002650366589245
Energy: 0.9818633053335537
Energy: 1.0019454921422262
Energy: 0.9773739356673515
Energy: 1.0445905314306785
Energy: 0.9666465374872487
Energy: 0.9173214321026302
Energy: 1.0235654991898062
Energy: 0.9588757583089528
Energy: 1.1847176157693617
Energy: 0.9803162015260676
Energy: 0.977163595066209
Energy: 1.1757058622531142
Energy: 0.9869643066661858
Energy: 0.9361491100160384
Energy: 1.050987997836626
Energy: 1.0384793209465322
Energy: 1.0254890363779179
Energy: 1.0271647125113772
Energy: 1.0293928897594442
Energy: 1.1336678086374734
Energy: 1.3239760619080576
Energy: 1.0989512380555266
Energy: 1.015223584895915
Energy: 1.0560322918840244
Energy: 1.0966937463895865
Energy: 1.0008801812583716
Energy: 1.1902482063195425
Energy: 1.0248510238627595
Energy: 1.014558846206458
Energy: 0.9679085566628289
Energy: 1.079458711997438
Energy: 0.985151516240587
Energy: 1.0966593773798594
Energy: 1.0822226376293245
Energy: 1.058414383108198
Energy: 0.9876738202754669
Energy: 1.0739955757139066
Energy: 0.9883303989298364
Energy: 0.8962725254474615
Energy: 0.9378578882816617
Energy: 0.8923501044318901
Energy: 0.903445672901723
Energy: 0.9200588458720657
Energy: 0.9030552877202324
Energy: 0.9010530026317652
Energy: 0.9147577426442415
Energy: 0.8973927571460298
Energy: 0.9134173499430688
Energy: 0.9202878447284869
Energy: 0.8985971352515497
Energy: 0.9095210467457358
Energy: 0.9150017777759264
Energy: 0.9074072687312091
Energy: 0.9038648596239912
Energy: 0.9200023712361803
Energy: 0.896016160433476
Energy: 1.1070164044942912
Energy: 1.06832345485934
Energy: 1.071475367437395
Energy: 1.1189675543082351
Energy: 1.0819757018728546
Energy: 1.1273337284817224
Energy: 1.2607014230817433
Energy: 1.0835459860548247
Energy: 0.971109222065823
Energy: 1.0913169937041693
Energy: 0.9712968464363327
Energy: 1.1106709432447592
Energy: 1.2797505969894274
Energy: 1.119504476069563
Energy: 1.1539897630389464
Energy: 1.210972296070054
Energy: 1.1467920143567576
Energy: 1.114142362898611
Energy: 1.3769192998611015
Energy: 1.06574675645028
Energy: 0.9195134784973182
Energy: 1.209127145320051
Energy: 1.0643573036282201
Energy: 1.1171979628421902
Energy: 1.1137123089555319
Energy: 0.9759883612933323
Energy: 0.9856081272906768
Energy: 0.939521559391318
Energy: 0.9939897911717941
Energy: 0.9778798803054923
Energy: 0.9775700108549124
Energy: 0.9511797191986215
Energy: 0.9086074326897988
Energy: 0.9854164555949774
Energy: 0.9444291395699428
Energy: 0.9744426908845338
Energy: 0.9520290783283094
Energy: 0.953099087772859
Energy: 0.9504654708899194
Energy: 0.9521412147323061
Energy: 0.9557225884513135
Energy: 0.9234243106875324
Energy: 0.9379840048538323
Energy: 0.944443294590449
Energy: 0.9127751629257569
Energy: 0.9355848931746447
Energy: 0.9835656109217663
Energy: 0.9393627116800803
Energy: 1.0412317181934307
Energy: 0.9158035452394488
Energy: 0.9188989287479863
Energy: 1.0328983116041905
Energy: 0.9280408506089993
Energy: 0.907691622748063
Energy: 1.2123868532252184
Energy: 0.9725192678327761
Energy: 1.1618647806838152
Energy: 0.9678773317828505
Energy: 1.1150032938246635
Energy: 1.0728038868083465
Energy: 1.3023694286516185
Energy: 1.0836101097020727
Energy: 1.0751904739970206
Energy: 1.1312870972545768
Energy: 1.1043654062759178
Energy: 1.0882665159759597
Energy: 1.3303743040680611
Energy: 1.0658398088269752
Energy: 0.9974170635950068
Energy: 1.1908621800390642
Energy: 1.0782838085565793
Energy: 1.149742641684225
Energy: 1.128104304204909
Energy: 0.9987331687507129
Energy: 1.0081121961960713
Energy: 1.103159126053674
Energy: 1.0023806195797413
Energy: 1.1406376929093525
Energy: 0.9702783596838847
Energy: 0.9076807430132962
Energy: 0.9145151376348525
Energy: 0.9673704753587832
Energy: 0.9247185374970145
Energy: 0.9263610546976139
Energy: 0.8616659325595494
Energy: 0.9205805090998753
Energy: 1.033526342115828
Energy: 0.8686848447802609
Energy: 0.9440310568781896
Energy: 0.9101909821467792
Energy: 1.004416434705145
Energy: 0.9168914118313612
Energy: 0.9185175601410461
Energy: 0.9462789231729994
Energy: 0.9388597834331892
Energy: 0.9281555496054648
Energy: 0.9771968601131669
Energy: 0.9558740197706083
Energy: 0.9576782323005648
Energy: 0.9049877383592186
Energy: 1.0056771453793285
Energy: 0.9548699355965545
Energy: 1.0881048789705392
Energy: 0.9709133563170969
Energy: 0.9656583668097122
Energy: 1.012137647447537
Energy: 1.0162289771301216
Energy: 0.9644555674400049
Energy: 1.017990868045793
Energy: 1.1287090783036868
Energy: 1.1137588959732172
Energy: 1.0891880824871958
Energy: 1.143090110770775
Energy: 1.0374952879668262
Energy: 1.153379953503392
Energy: 1.0657094491625074
Energy: 1.0715176078748947
Energy: 1.174309659691618
Energy: 1.0535668120787742
Energy: 1.1207668603177554
Energy: 1.310206056362429
Energy: 1.042016659513556
Energy: 1.0065241518699475
Energy: 1.185946674309553
Energy: 1.0299322860413629
Energy: 1.0069478816128652
Energy: 1.3799754101342536
Energy: 1.0716605083629582
Energy: 0.9895040283938151
Energy: 1.057443556464662
Energy: 1.0923348339986783
Energy: 0.9343087327977119
Energy: 0.9208932669282177
Energy: 0.9958476736641846
Energy: 0.9765574142252739
Energy: 0.9497866071917571
Energy: 1.005358311719785
Energy: 0.9201236162447188
Energy: 0.9233966574583827
Energy: 0.9045458352695034
Energy: 0.8994236130616636
Energy: 0.9295480615575481
Energy: 0.8954517534580707
Energy: 0.8953041733986066
Energy: 0.8943857572546836
Energy: 0.9032816589569791
Energy: 0.9045863116167847
Energy: 0.8908474590213876
Energy: 0.8944291939792787
Energy: 0.8925681255531879
Energy: 1.052337552175831
Energy: 0.9991251093573418
Energy: 1.0996192094572432
Energy: 1.0434065778396446
Energy: 0.9464475969974074
Energy: 1.0322762959597742
Energy: 1.1984578781940263
Energy: 0.9560922714058149
Energy: 0.9499807223433513
Energy: 1.154877187147832
Energy: 0.9450230068724487
Energy: 1.0721807554450273
Energy: 1.086483414511366
Energy: 1.0303742281312889
Energy: 1.0094599488468652
Energy: 1.0354541421724242
Energy: 1.0500663669771275
Energy: 0.9747779904629122

minimum gb energy = 0.8570770638073545 eV
minimum distance =  2.33403975175648 Angstroms
sigma value = 81


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

Energy: 1.7445405955694306
Energy: 1.3064176023285161
Energy: 1.1150140287106967
Energy: 1.0930441156862103
Energy: 1.3063615763098546
Energy: 1.1840190417279324
Energy: 1.0751803470875319
Energy: 1.0000780922664427
Energy: 0.9946032541308742
Energy: 0.9523635057014033
Energy: 1.1577946275483042
Energy: 0.8922200453063875
Energy: 0.9405585408547793
Energy: 0.873419919096234
Energy: 0.8545926706746352
Energy: 0.9740881139478845
Energy: 0.8965486582938461
Energy: 0.8981338452826334
Energy: 0.9177775468603699
Energy: 0.869878431879231
Energy: 0.9053263952215431
Energy: 0.8852728400479066
Energy: 0.9168931891386648
Energy: 0.8841345111897283
Energy: 0.9401279151321893
Energy: 0.9023327205657371
Energy: 0.9457082906262202
Energy: 0.9380727613178383
Energy: 0.9630664796406412
Energy: 0.950782667923104
Energy: 1.091057319485715
Energy: 0.92014513841341
Energy: 0.9201123205024022
Energy: 0.9748159400567734
Energy: 0.9291433744172306
Energy: 0.9003237753192124
Energy: 1.021577192419532
Energy: 0.9353650249225036
Energy: 0.9440769322604456
Energy: 0.9805529540321841
Energy: 0.973217994195655
Energy: 1.001058077984662
Energy: 1.4518903378382406
Energy: 1.3407495079706369
Energy: 0.9924893017954246
Energy: 1.0843347140386415
Energy: 1.3555981054454025
Energy: 1.160758949541566
Energy: 1.0308448909256556
Energy: 0.9683900739400606
Energy: 0.9910202755889529
Energy: 0.9968863501764679
Energy: 1.0092817893956247
Energy: 1.0323738045335713
Energy: 1.114814286480362
Energy: 1.0310486015561753
Energy: 1.187467266592538
Energy: 1.1114600435804745
Energy: 1.012632945544809
Energy: 1.1797368199878966
Energy: 1.069666273691591
Energy: 1.0061992269883262
Energy: 1.0577933213830948
Energy: 1.0695326771068212
Energy: 0.8795599934266761
Energy: 1.1060699614926344
Energy: 0.9261964845288669
Energy: 0.9255075647831047
Energy: 0.9211029600340179
Energy: 0.9370466334563907
Energy: 0.9613359199442914
Energy: 0.9226696019131779
Energy: 0.9443956890421102
Energy: 0.8991393370511104
Energy: 0.9009580378449861
Energy: 0.8854885874769022
Energy: 0.8988997425286421
Energy: 0.8439362896242797
Energy: 1.0215871373601684
Energy: 0.9912492196100582
Energy: 0.998076989432995
Energy: 0.8810164898513527
Energy: 0.9758288186496881
Energy: 0.9962817984701569
Energy: 1.2612724833138136
Energy: 0.9870906849418132
Energy: 1.1364884831004662
Energy: 0.9851722730218355
Energy: 0.9893049558343824
Energy: 1.0979642734336161
Energy: 0.930210196073743
Energy: 0.9730065012070809
Energy: 0.9736960935747196
Energy: 0.9299454204269747
Energy: 0.9429262320697572
Energy: 0.9885228048820732
Energy: 0.976168752266149
Energy: 1.0832450413800958
Energy: 1.079124506771395
Energy: 0.9759102915206966
Energy: 1.156706560765024
Energy: 0.9258762133902665
Energy: 1.017554541077906
Energy: 0.936088783772434
Energy: 0.9361334412730716
Energy: 0.9968413443777586
Energy: 0.9406627367772216
Energy: 0.9800255027370225
Energy: 1.3384655490795287
Energy: 0.9218111094747045
Energy: 0.9286657995173189
Energy: 1.0836091447576248
Energy: 0.9603792918632572
Energy: 0.9289165364712445
Energy: 1.3382169236922412
Energy: 0.9562907299383014
Energy: 0.9984463427075226
Energy: 0.91071438039066
Energy: 1.0089630491522825
Energy: 0.9165029151179713
Energy: 0.942253908181965
Energy: 0.8570741473452597
Energy: 0.8566184225879904
Energy: 0.9530618221369253
Energy: 0.8566521474979616
Energy: 0.859685833905702
Energy: 0.9804516615010156
Energy: 0.846917976815856
Energy: 0.8487978005216097
Energy: 0.977090473899498
Energy: 0.8730785592433787
Energy: 0.8572085093925068
Energy: 0.9026058536726492
Energy: 0.8512419894062704
Energy: 0.8637465453268837
Energy: 0.9028246519518428
Energy: 0.8625193308956127
Energy: 0.8773553950064374
Energy: 1.065536721411813
Energy: 1.1086545328095867
Energy: 0.938011624430698
Energy: 1.046382738969609
Energy: 0.9690237691665392
Energy: 0.9362355643510002
Energy: 1.0794928817629659
Energy: 0.9291115338779886
Energy: 0.9517565908041223
Energy: 0.9896375787788614
Energy: 0.9285092932165896
Energy: 0.933239247057862
Energy: 1.214706547516446
Energy: 0.9844778476066427
Energy: 0.9404574944215942
Energy: 1.153327445867587
Energy: 0.9669120661167347
Energy: 0.9347070379849833
Energy: 1.213934434604644
Energy: 0.9865489626357254
Energy: 0.9470581112395987
Energy: 0.9812291767467919
Energy: 1.0244465658023407
Energy: 1.0184798875351826
Energy: 1.105111784370453
Energy: 0.9241160401953283
Energy: 1.0094766567503397
Energy: 1.0286889127103722
Energy: 0.9268118493266747
Energy: 1.026730775000083
Energy: 1.1078610862456821
Energy: 1.1805364589842184
Energy: 1.0161305026282952
Energy: 1.1046858186550854
Energy: 1.0010103009701772
Energy: 1.0118535664405508
Energy: 1.0336263750319405
Energy: 0.9024897128282184
Energy: 0.8843178911523852
Energy: 0.9208276565073268
Energy: 0.9702439580849654
Energy: 0.9147391255441559
Energy: 0.94395865445967
Energy: 1.0590108968898335
Energy: 0.9361695174399645
Energy: 0.8748537651691427
Energy: 1.0095259737728868
Energy: 0.8566416547457354
Energy: 0.9983820180621922
Energy: 0.8977807543944153
Energy: 0.907929839556426
Energy: 0.8956739258777123
Energy: 0.8973497278057324
Energy: 0.8663684623029131
Energy: 1.2436443391390164
Energy: 0.930416639325474
Energy: 0.9368692178435041
Energy: 1.0825146282625002
Energy: 0.9451229643107129
Energy: 0.9468843432824896
Energy: 1.1206255386480197
Energy: 0.8871993316695802
Energy: 0.9124483164394148
Energy: 1.079253335962996
Energy: 0.9128356203328862
Energy: 0.9102158456236085
Energy: 0.9862398949144519
Energy: 1.010057943925148
Energy: 0.9890354658508224
Energy: 0.9860860171049338
Energy: 1.0644203015118097
Energy: 1.005205184977096
Energy: 0.9409054507454816
Energy: 1.0915139354002446
Energy: 0.9751096096779567
Energy: 0.9470975916897858
Energy: 1.0885418944864034
Energy: 0.9543656925093482
Energy: 0.9817152639437831
Energy: 1.091391026216915
Energy: 1.096344207943713
Energy: 0.9595897111543958
Energy: 1.0758924795439644
Energy: 1.0120984484798186
Energy: 1.3703718064582184
Energy: 1.1763351038609018
Energy: 1.1379710519309878
Energy: 1.0782702475161785
Energy: 1.18451374376534
Energy: 1.249084866063281

minimum gb energy = 0.8439362896242797 eV
minimum distance =  2.33667597419887 Angstroms
sigma value = 43


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

Energy: 1.6322206392077554
Energy: 1.4144586858909234
Energy: 1.0584329822424998
Energy: 1.070262962448395
Energy: 1.4146657449514943
Energy: 1.2176447199104827
Energy: 1.2434562972666807
Energy: 1.047698903289952
Energy: 0.9475658448386571
Energy: 0.9525734775500571
Energy: 1.0658480192639792
Energy: 0.9580603579033438
Energy: 0.9959110067716591
Energy: 0.9111619150541329
Energy: 0.9164215973958711
Energy: 1.0211410024777758
Energy: 0.902493729654629
Energy: 0.9463492003779179
Energy: 0.9612650148189821
Energy: 0.9426488405086467
Energy: 0.9160231256602209
Energy: 0.9509799521858743
Energy: 0.9531972213863068
Energy: 0.961009921628374
Energy: 0.8130874122658343
Energy: 0.7969630368806278
Energy: 0.8091860750648187
Energy: 0.813073709120448
Energy: 0.7972510950514284
Energy: 0.8170493303078834
Energy: 0.7806109187775634
Energy: 0.7987768573080809
Energy: 0.796515005659657
Energy: 0.7867393907639021
Energy: 0.7806511323425157
Energy: 0.7875271941276535
Energy: 1.0127153830701345
Energy: 0.9377169019989425
Energy: 0.9084416060874209
Energy: 0.8707038712551003
Energy: 0.9388483070404797
Energy: 0.9092968216271949
Energy: 1.0885809550022738
Energy: 0.9663223185068596
Energy: 0.9508230095493351
Energy: 0.9068286182865831
Energy: 0.9668615388176248
Energy: 0.9717077626067598
Energy: 1.076723407168849
Energy: 0.9372592868764066
Energy: 0.9729767813088229
Energy: 1.147797285144233
Energy: 0.9328330366013072
Energy: 0.9968037867716261
Energy: 1.1969776329099477
Energy: 1.023356922485572
Energy: 1.0211354934165504
Energy: 1.1936077838630792
Energy: 1.051836404802259
Energy: 1.010571902176069
Energy: 1.1654794639394677
Energy: 1.001663304607632
Energy: 1.099741691403073
Energy: 1.1651725181818093
Energy: 0.9573208103895025
Energy: 1.0452301124708367
Energy: 1.1608824552920334
Energy: 1.0193950372537532
Energy: 1.0003770879807241
Energy: 0.9929152330360175
Energy: 1.0604480910288383
Energy: 0.9953959515910886
Energy: 1.186446367922824
Energy: 1.0219587811722382
Energy: 0.9521787969061434
Energy: 0.9544194384791396
Energy: 1.00621219982643
Energy: 0.9841503569667897
Energy: 0.7816153237968513
Energy: 0.9167881499183909
Energy: 0.8095769441734532
Energy: 0.8561004739665502
Energy: 0.9014979256070171
Energy: 0.802287155832444
Energy: 0.8297593052662833
Energy: 0.8349770053885284
Energy: 0.9736137644059623
Energy: 0.8480835206210386
Energy: 0.8199508088754766
Energy: 0.8285481597017635
Energy: 0.8461651909307432
Energy: 0.8934186770087649
Energy: 0.8366554219887479
Energy: 0.8464253499912084
Energy: 0.8924682625381943
Energy: 0.8637921028239379
Energy: 0.906315596649548
Energy: 0.8804325436947049
Energy: 0.8839916096590119
Energy: 0.9054791107350454
Energy: 0.83944922232723
Energy: 0.8946231230863487
Energy: 0.8833035737780455
Energy: 0.9149159199819226
Energy: 0.8743832899543774
Energy: 0.8627544302774652
Energy: 0.9134674675190159
Energy: 0.8749315806612797
Energy: 1.2794440998521288
Energy: 1.0615225486258595
Energy: 1.106916938687955
Energy: 0.9619411493576824
Energy: 1.0714622649800278
Energy: 1.0451901040613159
Energy: 1.2667111953603687
Energy: 1.0816001244113909
Energy: 1.1069988680553209
Energy: 0.9431638054575084
Energy: 1.1595399301429867
Energy: 1.0431470597649732
Energy: 1.1771679697687336
Energy: 1.0588904122377325
Energy: 1.0622678520665993
Energy: 1.0987792706749717
Energy: 0.9728751350895124
Energy: 1.01811178932792
Energy: 1.069152636186325
Energy: 1.0000900851036887
Energy: 0.943549475419015
Energy: 1.0692600829280448
Energy: 0.9894591144397095
Energy: 0.9695907763850072
Energy: 0.925780961533488
Energy: 0.9051224540871128
Energy: 0.9304826808895369
Energy: 0.8859747813364318
Energy: 0.8851625098730519
Energy: 0.9019471139522199
Energy: 0.9811251501025456
Energy: 1.016546772793498
Energy: 0.9313082773793758
Energy: 0.9170548988791035
Energy: 1.038737980833946
Energy: 0.9008368599440836
Energy: 1.0302096713793707
Energy: 0.9124735761000952
Energy: 0.8814454876063093
Energy: 0.9503249564494065
Energy: 0.8889560221624542
Energy: 0.8769555940559837
Energy: 0.8880832612411262
Energy: 0.8035393663514039
Energy: 0.8491318620244263
Energy: 0.910940840560151
Energy: 0.7992143466141937
Energy: 0.8396864753560033
Energy: 0.8881281447454744
Energy: 0.8138581801027155
Energy: 0.8370599901602891
Energy: 0.9146559848172108
Energy: 0.8659102153549681
Energy: 0.858055701609193
Energy: 1.016707773989257
Energy: 0.8346162283275201
Energy: 1.0062980429846122
Energy: 1.016285710338409
Energy: 0.8376858067977038
Energy: 0.9901730787527047
Energy: 1.0149359853284758
Energy: 0.967708395076279
Energy: 1.0717621372739767
Energy: 1.0241275805279764
Energy: 0.9267026514708241
Energy: 0.9730262445282584
Energy: 1.1107791654678838
Energy: 1.0481892968640163
Energy: 1.0026060593064028
Energy: 1.0135948864259776
Energy: 0.9269223596583384
Energy: 1.065183176862913
Energy: 1.3454506789356062
Energy: 1.1613658585134874
Energy: 1.0603568293714902
Energy: 1.0055809269616256
Energy: 1.1641341935682765
Energy: 1.088867404647927

minimum gb energy = 0.7806109187775634 eV
minimum distance =  2.29717893418189 Angstroms
sigma value = 57


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

Energy: 1.3606173233537777
Energy: 1.1960857151347974
Energy: 1.0336868947111595
Energy: 1.0429929425078839
Energy: 1.1962961149451177
Energy: 1.1720068784853457
Energy: 1.1052268821273725
Energy: 0.8165209654107018
Energy: 0.7682369769898684
Energy: 0.8102449393214645
Energy: 0.8451952016089355
Energy: 0.7678597797718764
Energy: 1.0254111838387536
Energy: 0.7879733362356747
Energy: 0.7875227452292405
Energy: 0.8650549722855578
Energy: 0.9425179909172489
Energy: 0.787940081361814
Energy: 0.8351515736228983
Energy: 0.7882874564047518
Energy: 0.7879119161583118
Energy: 0.8353878519158056
Energy: 0.8710830015660697
Energy: 0.8171435022856317
Energy: 0.8485104699577593
Energy: 0.7828837664555897
Energy: 0.7824777931967198
Energy: 0.8790339916772618
Energy: 0.7825335614559041
Energy: 0.7852131716949711
Energy: 0.8048109965456625
Energy: 0.8107512559844283
Energy: 0.8152740372734628
Energy: 0.8812995133001366
Energy: 0.8823715231686016
Energy: 0.8152952748056045
Energy: 1.189958165060047
Energy: 0.8642497917353205
Energy: 0.825044687192445
Energy: 0.8894956989610291
Energy: 0.880729226541171
Energy: 0.8859428626677265
Energy: 1.2087287476384667
Energy: 0.9044223054119548
Energy: 1.0404054069427464
Energy: 0.7928304702896928
Energy: 0.8780989178007235
Energy: 0.9146145388216765
Energy: 1.0529024918457113
Energy: 0.8827873792032115
Energy: 0.8822346655140105
Energy: 0.8177233590561948
Energy: 0.8672371431783422
Energy: 0.8751677489897823
Energy: 1.1075115359619268
Energy: 0.9145050828702116
Energy: 0.8756910959611912
Energy: 1.0789539703088225
Energy: 0.9147789812874441
Energy: 0.8869620521231013
Energy: 1.3127391552694658
Energy: 0.9660609779374776
Energy: 0.8524045470920523
Energy: 1.0225295658817357
Energy: 0.8497412731129182
Energy: 0.9144728074768966
Energy: 1.2856638007776575
Energy: 0.9165777243403991
Energy: 0.929109528782982
Energy: 0.8704369510696077
Energy: 0.9144042605352413
Energy: 1.0057833688007929
Energy: 1.319085970649935
Energy: 0.9106694940655696
Energy: 0.9965881959323754
Energy: 0.969734972327155
Energy: 0.9274426916913349
Energy: 1.0056674131323138
Energy: 1.1050953143080025
Energy: 0.8166698612259388
Energy: 0.7747951407683205
Energy: 0.8103171601552465
Energy: 0.8172831940669787
Energy: 0.7680468131289987
Energy: 0.9158189404588486
Energy: 1.04282813263345
Energy: 0.8484281585306969
Energy: 0.8576014605435767
Energy: 1.042005874561417
Energy: 0.854103398697085
Energy: 0.8496916350900793
Energy: 0.7701825350369225
Energy: 0.787754109552008
Energy: 0.8504302666206914
Energy: 0.8854676762709122
Energy: 0.7852600969667797
Energy: 0.8485744138204496
Energy: 0.7742771266525693
Energy: 0.7742205939133997
Energy: 0.9023230371890879
Energy: 0.7643284644413493
Energy: 0.7490360548269973
Energy: 0.7644741847373743
Energy: 0.7650978944335811
Energy: 0.7783090362737033
Energy: 0.7738531323588352
Energy: 0.7676175161877311
Energy: 0.8073589951588481
Energy: 0.8341976701000329
Energy: 0.8891133396590661
Energy: 0.912156381764478
Energy: 0.8368221424911481
Energy: 0.8963856007149708
Energy: 0.8794309581811529
Energy: 1.0497677902970286
Energy: 0.8928129602069869
Energy: 0.8922973719093164
Energy: 0.9862232475594125
Energy: 0.962531238344682
Energy: 0.8684535005489364
Energy: 1.0560475663100903
Energy: 0.8531955148144249
Energy: 0.8532662787131019
Energy: 1.0564136197936542
Energy: 0.8527418095558333
Energy: 0.8525390584598828
Energy: 1.191591583188878
Energy: 0.8923291726743244
Energy: 0.9901803054424029
Energy: 1.144250225363659
Energy: 0.9147482543817267
Energy: 0.9874538013670746
Energy: 1.0872033770040255
Energy: 0.8655919678982211
Energy: 0.8552867550143203
Energy: 1.0563832790673837
Energy: 0.879895060517217
Energy: 0.855352626282447
Energy: 1.3185948943782666
Energy: 1.0146697091333716
Energy: 1.023419101203585
Energy: 0.9698399765591933
Energy: 0.9756299291498599
Energy: 0.9937637143781414

minimum gb energy = 0.7490360548269973 eV
minimum distance =  2.35122460256226 Angstroms
sigma value = 17


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

Energy: 1.527706352809558
Energy: 1.1659620755008047
Energy: 1.0048014064823643
Energy: 0.9053272082752122
Energy: 1.1512645275027487
Energy: 0.8953180445896772
Energy: 1.1608752903658612
Energy: 0.8371254325605112
Energy: 0.842634795894519
Energy: 1.0020343681541573
Energy: 0.8780779962849014
Energy: 0.8496787773049432
Energy: 1.0132380961711245
Energy: 0.839808848576723
Energy: 0.8397789484270246
Energy: 0.846552971993475
Energy: 0.9347309449528868
Energy: 0.8396776561360076
Energy: 0.8612553753362807
Energy: 0.8193784497534984
Energy: 0.8398334962983156
Energy: 0.8615068203565599
Energy: 0.9713779332118262
Energy: 0.8611283524485351
Energy: 0.8835848909300388
Energy: 0.7511853114012284
Energy: 0.7608459212000631
Energy: 0.8837780502356004
Energy: 0.7077880320875185
Energy: 0.759438540561582
Energy: 0.79476685811398
Energy: 0.772696723134372
Energy: 0.7165254509505335
Energy: 0.6936159570433295
Energy: 0.8100111762711406
Energy: 0.693074376650292
Energy: 0.8409132271468543
Energy: 0.7835294292887461
Energy: 0.8168805305118747
Energy: 0.8099972149962403
Energy: 0.7826342273770712
Energy: 0.7980473903625875
Energy: 0.7767978933178296
Energy: 0.6854106383579216
Energy: 0.7950913674235929
Energy: 0.6897344107740531
Energy: 0.6907554726315636
Energy: 0.7968931977113595
Energy: 0.7811679962733198
Energy: 0.8014074221178358
Energy: 0.6852288659652831
Energy: 0.7803342386752051
Energy: 0.8200873200042644
Energy: 0.7979864646881935
Energy: 0.7823644334680243
Energy: 0.7677713163180985
Energy: 0.7677127390981989
Energy: 0.7993865102883115
Energy: 0.767952453615956
Energy: 0.7678742183002978
Energy: 0.9416240259523729
Energy: 0.8890412482083967
Energy: 0.7096668073973631
Energy: 0.7076325018411627
Energy: 0.933644937142723
Energy: 0.7096728514954129
Energy: 1.0593291201592974
Energy: 0.9006948043436507
Energy: 0.9177990139652553
Energy: 0.982001551448393
Energy: 0.9006088423056484
Energy: 0.8548122177596729
Energy: 0.9213049555017858
Energy: 0.8764374549806041
Energy: 0.8958252246460782
Energy: 0.935767131394242
Energy: 0.8884364953212607
Energy: 0.8374137551719749
Energy: 1.0066361925637934
Energy: 0.8669198420178561
Energy: 0.8786274163198002
Energy: 1.0074933572687716
Energy: 0.8670851083886908
Energy: 0.7699241531935913
Energy: 1.1462509198035795
Energy: 0.8992790241474974
Energy: 0.8447161862737238
Energy: 1.1461978499401897
Energy: 0.8993359329918692
Energy: 0.8938018716438876
Energy: 1.1454310703767852
Energy: 0.8369916114210991
Energy: 0.8328113964212548
Energy: 1.003671957973275
Energy: 0.8684962285273243
Energy: 0.8460063665986981
Energy: 1.0456181204381647
Energy: 0.8674851966589835
Energy: 0.9429262975454786
Energy: 0.948613810004748
Energy: 0.925357076397628
Energy: 0.9274509952778778

minimum gb energy = 0.6852288659652831 eV
minimum distance =  2.34930698997813 Angstroms
sigma value = 17


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

Energy: 1.619142278573202
Energy: 1.0389208134304937
Energy: 0.7965025748040804
Energy: 0.7961452249907965
Energy: 1.0677156380149417
Energy: 0.7970238530420505
Energy: 1.0866434074389995
Energy: 0.8060833460231078
Energy: 0.8068409863626524
Energy: 0.943684404844633
Energy: 0.8237152133505851
Energy: 0.8280252993605315
Energy: 1.0226688948496134
Energy: 0.653062145784625
Energy: 0.750472888580075
Energy: 0.9201483149255041
Energy: 0.8211156887559097
Energy: 0.788073302744034
Energy: 0.8337611890068221
Energy: 0.7760718467074805
Energy: 0.7994485826967781
Energy: 0.8343785072478017
Energy: 0.9117271474923708
Energy: 0.7763575373413614
Energy: 0.8591414965848058
Energy: 0.7094246480189097
Energy: 0.7095664854093029
Energy: 0.8586410495081903
Energy: 0.7170004391097418
Energy: 0.7585161824230816
Energy: 0.9046872972444131
Energy: 0.7462721648059503
Energy: 0.65190912285621
Energy: 0.6476125852979291
Energy: 0.7351140261725522
Energy: 0.6504914894807049
Energy: 0.9105437875505293
Energy: 0.7400731164352493
Energy: 0.7454065449422009
Energy: 0.74931292462784
Energy: 0.7401024479122059
Energy: 0.7943182348756536
Energy: 0.6995041483828445
Energy: 0.620710741950931
Energy: 0.6330840405986208
Energy: 0.6690336285616332
Energy: 0.6205361517657766
Energy: 0.7300637246869698
Energy: 0.7001271134481718
Energy: 0.7482505363769412
Energy: 0.7068344385645606
Energy: 0.6997371829857927
Energy: 0.9133960029435133
Energy: 0.7081178616684719
Energy: 0.7070846171674477
Energy: 0.6230769643338588
Energy: 0.6231214578650176
Energy: 0.7123095966335601
Energy: 0.6228116037073137
Energy: 0.6227901961722989
Energy: 0.7479542062347591
Energy: 0.7225755129667611
Energy: 0.7111165646107871
Energy: 0.6231457665366468
Energy: 0.7213328615166744
Energy: 0.6218730505976436
Energy: 0.8420319765118618
Energy: 0.6992425064032112
Energy: 0.7127305006056155
Energy: 0.8579274144601103
Energy: 0.6995010555553595
Energy: 0.7137013157102046
Energy: 0.8425906955223494
Energy: 0.719992946354791
Energy: 0.6834642059956486
Energy: 0.7669757012886912
Energy: 0.7371380681056571
Energy: 0.6282617845220093
Energy: 0.7449631381746344
Energy: 0.8959104409208679
Energy: 0.7140738730952405
Energy: 0.7458674301199678
Energy: 0.8769321678990892
Energy: 0.7442265871661489
Energy: 0.7365044038976268
Energy: 0.6790536814992452
Energy: 0.6326711786614053
Energy: 0.7354777443684897
Energy: 0.6345994440666877
Energy: 0.6685932632041971
Energy: 0.963731817970854
Energy: 0.8749377294827336
Energy: 0.8077464681105961
Energy: 0.7162018366819056
Energy: 0.8837434636901313
Energy: 0.7209053391055179
Energy: 0.9100109488539888
Energy: 0.8395148400144116
Energy: 0.7980098498092962
Energy: 0.9099229669984301
Energy: 0.8446244266221142
Energy: 0.7645319596035799
Energy: 0.8683248285924781
Energy: 0.8394510426234169
Energy: 0.8392894369404313
Energy: 0.912650872905016
Energy: 0.8452065657902884
Energy: 0.7247472995518704
Energy: 0.9477329245568413
Energy: 0.8577955281754154
Energy: 0.8601472353893822
Energy: 0.9412603074895749
Energy: 0.8577091231460376
Energy: 0.8086235832058166
Energy: 1.0771319602138316
Energy: 0.7678790641890509
Energy: 0.7555715803522542
Energy: 1.0721251900995352
Energy: 0.7680434886101976
Energy: 0.8367993445840923
Energy: 1.040254662049318
Energy: 0.7696807032538114
Energy: 0.7953975163404835
Energy: 0.9424392071618848
Energy: 0.8573317441705248
Energy: 0.8104045937682185
Energy: 0.9274060847296937
Energy: 0.7967719065633161
Energy: 0.8900082504408547
Energy: 0.9207060722451915
Energy: 0.8504756781701696
Energy: 0.8041657840687038
Energy: 0.9626207454076663
Energy: 0.8075196501553271
Energy: 0.803253166734164
Energy: 0.9447363864660163
Energy: 0.8048867181057012
Energy: 0.9120048511164688
Energy: 1.0249747081275578
Energy: 0.7351513565220443
Energy: 0.8504704951017147
Energy: 0.846718638692118
Energy: 0.9253966358930337
Energy: 0.8546011180607681
Energy: 0.8278601826737002
Energy: 0.7333555031259779
Energy: 0.7868103606323645
Energy: 0.8288005406343614
Energy: 0.7330233403006461
Energy: 0.7696427984394371
Energy: 0.8558093159109531
Energy: 0.7301556929597299
Energy: 0.7141179272477876
Energy: 0.8565092807953679
Energy: 0.8572305630626611
Energy: 0.8111411441083851
Energy: 0.8926149599694587
Energy: 0.8187248124264385
Energy: 0.7665916916655808
Energy: 0.6480109168330653
Energy: 0.8353378446406247
Energy: 0.650336456904105
Energy: 0.8919849335371384
Energy: 0.74040865887825
Energy: 0.7419091533729724
Energy: 0.9044411998557795
Energy: 0.7406367115294946
Energy: 0.7428482011022072
Energy: 1.0948700527721866
Energy: 0.7790674949274993
Energy: 0.6275775396535208
Energy: 0.6250954100061122
Energy: 0.7571124319486694
Energy: 0.6257252391921271
Energy: 0.6991236058938085
Energy: 0.6204712914405318
Energy: 0.6329446306826675
Energy: 0.699181097690298
Energy: 0.620689805371076
Energy: 0.6943067998279825
Energy: 0.7061385785231449
Energy: 0.6233766864861072
Energy: 0.6853132310104026
Energy: 0.7061049122540969
Energy: 0.8929671584458599
Energy: 0.7462806694360175
Energy: 0.755895488573187
Energy: 0.6953520204784921
Energy: 0.6259764656062085
Energy: 0.6230891953862092
Energy: 0.7360701301303821
Energy: 0.6734280775278915
Energy: 0.8410398929517043
Energy: 0.6939848597975354
Energy: 0.7203570492978254
Energy: 0.8205101082565691
Energy: 0.6948168388632329
Energy: 0.7168084827784298
Energy: 0.854010862783239
Energy: 0.6377804958046505
Energy: 0.6390095013811415
Energy: 0.6361155636025319
Energy: 0.7181249513554445
Energy: 0.6384311576552574
Energy: 0.7465588034003101
Energy: 0.6317623179541572
Energy: 0.6317916547617909
Energy: 0.7477749241355091
Energy: 0.6312737785676381
Energy: 0.7445951492621835
Energy: 0.7347585471261152
Energy: 0.6361474589177976
Energy: 0.7659500940738886
Energy: 0.7359105484636957
Energy: 0.6381017359198722
Energy: 0.7633576829436309
Energy: 1.0113702761493022
Energy: 0.739580722890627
Energy: 0.6903372119405295
Energy: 0.7767943573207772
Energy: 0.8651432736174547
Energy: 0.7083011320848919
Energy: 0.9094999719179626
Energy: 0.8385402195961525
Energy: 0.8385374885882492
Energy: 0.943958181197038
Energy: 0.8397588870126657
Energy: 0.8478394300159328
Energy: 0.9095218138298476
Energy: 0.9054297006173267
Energy: 0.8008425921210284
Energy: 0.7013803490853199
Energy: 0.9570044797287712
Energy: 0.7123266575492319
Energy: 0.9593277848678448
Energy: 0.8132655777065998
Energy: 0.7939081811385212
Energy: 0.9607524821875453
Energy: 0.8520405794965766
Energy: 0.7847238166255015
Energy: 1.017916200524201
Energy: 0.7657024588202526
Energy: 0.8388551551528665
Energy: 0.9527119963500794
Energy: 0.7510031189874801
Energy: 0.8350198193382723
Energy: 1.0379389889599422
Energy: 0.7947231539520567
Energy: 0.8504080935685905
Energy: 0.9487169010545705
Energy: 0.9565959204306248
Energy: 0.8054830244200681
Energy: 0.9586810423867598
Energy: 0.7963821263256796
Energy: 0.7783902956691254
Energy: 0.9447709625117067
Energy: 0.7971712543268966
Energy: 0.9095949289042089

minimum gb energy = 0.6204712914405318 eV
minimum distance =  2.3252285863176 Angstroms
sigma value = 57


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

Energy: 1.4895388301788979
Energy: 0.9431844199359883
Energy: 0.7410557348809448
Energy: 0.7114298034444769
Energy: 0.9592362494504192
Energy: 0.738516762214174
Energy: 1.0192606836966767
Energy: 0.7706631112627357
Energy: 0.7550467994810625
Energy: 0.9154565186801608
Energy: 0.8992849507343197
Energy: 0.812673112898741
Energy: 0.9442887923694658
Energy: 0.6770842120025972
Energy: 0.6810899522558073
Energy: 0.9348458326815919
Energy: 0.7737758751666689
Energy: 0.7345505408750169
Energy: 0.7901080796988108
Energy: 0.6926662849097683
Energy: 0.7510059246947199
Energy: 0.7895841922018315
Energy: 0.823394519256927
Energy: 0.707517747383722
Energy: 0.7829666571865208
Energy: 0.6533847951823911
Energy: 0.655628931617023
Energy: 0.8190864625624423
Energy: 0.6584793494586364
Energy: 0.6428829342487049
Energy: 0.7961738163310468
Energy: 0.6941371644177986
Energy: 0.6834117248631976
Energy: 0.5835994833126951
Energy: 0.6964348778680489
Energy: 0.6843433362283798
Energy: 0.8420334400238448
Energy: 0.7124167549384238
Energy: 0.7075531718572515
Energy: 0.7055104407432434
Energy: 0.7084367919455796
Energy: 0.6463355027861425
Energy: 0.7422405212701694
Energy: 0.580428437108626
Energy: 0.5804547998724613
Energy: 0.7915984368399479
Energy: 0.5805046944823553
Energy: 0.627608726135302
Energy: 0.6608814907848536
Energy: 0.8667151550230903
Energy: 0.6540163600833405
Energy: 0.6610419404164214
Energy: 0.8302135114811144
Energy: 0.655904283535748
Energy: 0.6524973985004816
Energy: 0.5802837019780612
Energy: 0.5821057449354882
Energy: 0.6590513043456683
Energy: 0.5801215713121743
Energy: 0.5844459818915801
Energy: 0.8099968774737183
Energy: 0.6399163632368976
Energy: 0.6611805733277353
Energy: 0.7121865287229889
Energy: 0.621706330448618
Energy: 0.5720071344366264
Energy: 0.8334922882536617
Energy: 0.6321562880864575
Energy: 0.6332516008847395
Energy: 0.7844641779572991
Energy: 0.629119784134696
Energy: 0.6610760799914782
Energy: 0.6410700792392364
Energy: 0.5723211541737512
Energy: 0.6360401496349241
Energy: 0.661589701336754
Energy: 0.5746092753674785
Energy: 0.6100423853267972
Energy: 0.618584489209798
Energy: 0.6269341892054586
Energy: 0.6187033514069007
Energy: 0.6191764532553068
Energy: 0.740221091216286
Energy: 0.6183502543220121
Energy: 0.6221158440046047
Energy: 0.5875800643105474
Energy: 0.588477266896426
Energy: 0.6220462697324686
Energy: 0.5697271603853739
Energy: 0.5879469719114307
Energy: 0.7737296020868758
Energy: 0.6675273036762265
Energy: 0.6686214197756587
Energy: 0.5780387534049453
Energy: 0.6679228199208133
Energy: 0.6418367141400755
Energy: 0.8094474415842099
Energy: 0.6470754156547951
Energy: 0.6469240510286666
Energy: 0.8006250893059671
Energy: 0.6476218083110742
Energy: 0.6779756642026583
Energy: 0.7788536570491751
Energy: 0.6432570748138103
Energy: 0.591039085308083
Energy: 0.7826462319703001
Energy: 0.679383886833033
Energy: 0.5802477984570471
Energy: 0.7144689716161591
Energy: 0.598742239218654
Energy: 0.7058210652955151
Energy: 0.7151535484518586
Energy: 0.8400670590753136
Energy: 0.7051898186682267
Energy: 0.7778830217217412
Energy: 0.6317710725486986
Energy: 0.7170305428427153
Energy: 0.8490714670247388
Energy: 0.6271991513903434
Energy: 0.7125921349335791
Energy: 0.8909568782512198
Energy: 0.7962520498388446
Energy: 0.7941268641520097
Energy: 0.6569491422810331
Energy: 0.8052723136655666
Energy: 0.7127268138036142
Energy: 0.8212941219535904
Energy: 0.7882758479487829
Energy: 0.7078448090116203
Energy: 0.7041554845559307
Energy: 0.7965504098007341
Energy: 0.7086090010416629
Energy: 0.9083761948778336
Energy: 0.7498466885448632
Energy: 0.7656195801330611
Energy: 0.9044059277981361
Energy: 0.7949144180917247
Energy: 0.7839816430689791
Energy: 0.8821562332361008
Energy: 0.8494517566758653
Energy: 0.7704186185433008
Energy: 0.8834250065206882
Energy: 0.9219684511439032
Energy: 0.7814484096264975
Energy: 0.9920529755544312
Energy: 0.7053105808320961
Energy: 0.7053223561816796
Energy: 0.8868983525531755
Energy: 0.7040326211085142
Energy: 0.7893076954582523
Energy: 1.014921099576296
Energy: 0.7305992603728036
Energy: 0.7700608736715132
Energy: 0.902435600078724
Energy: 0.7468089740329353
Energy: 0.8074417300456451
Energy: 0.7987349993472502
Energy: 0.7737898803222352
Energy: 0.744247994966575
Energy: 0.6931347004349154
Energy: 0.8210194684821654
Energy: 0.717888098535838

minimum gb energy = 0.5697271603853739 eV
minimum distance =  2.36177447703842 Angstroms
sigma value = 43


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

Energy: 1.443439470944155
Energy: 0.8024004792377494
Energy: 0.6556704658079273
Energy: 0.6186334680425072
Energy: 0.8200516496307274
Energy: 0.6282714856342577
Energy: 0.8231074807052361
Energy: 0.6789391615471383
Energy: 0.6826497882858983
Energy: 0.6859581803021619
Energy: 0.7650349154160238
Energy: 0.7012049351407079
Energy: 0.7917948481797085
Energy: 0.5769086566975646
Energy: 0.5894938747811821
Energy: 0.7099808965470152
Energy: 0.722801901507993
Energy: 0.5918053362483625
Energy: 0.6921703241776909
Energy: 0.600821570427062
Energy: 0.5936316922415391
Energy: 0.6891118014998322
Energy: 0.6833589790858332
Energy: 0.6230695351988761
Energy: 0.7095257104825693
Energy: 0.5665937022439047
Energy: 0.5660798414074514
Energy: 0.7092002243272527
Energy: 0.6057948306980144
Energy: 0.564846052033484
Energy: 0.6123814154415397
Energy: 0.6059494970390683
Energy: 0.5747993906114723
Energy: 0.5645272524437396
Energy: 0.6119783404076109
Energy: 0.5761492899105328
Energy: 0.7263336075227864
Energy: 0.6209267161091696
Energy: 0.6308467547707641
Energy: 0.6228333938229047
Energy: 0.6538508015379757
Energy: 0.624674492885992
Energy: 0.7162331869971355
Energy: 0.5637816275851261
Energy: 0.5592111381845463
Energy: 0.7015655683713033
Energy: 0.5637928458131386
Energy: 0.5686919116756763
Energy: 0.5779594447503791
Energy: 0.5283203561325557
Energy: 0.5732627918107328
Energy: 0.5739067050611474
Energy: 0.7135545072985422
Energy: 0.5735492074614904
Energy: 0.633626763939105
Energy: 0.4825289415857552
Energy: 0.4892038608711558
Energy: 0.6325735302199835
Energy: 0.4879933733822557
Energy: 0.5232458120681126
Energy: 0.706028801266976
Energy: 0.5402953511369614
Energy: 0.547323391646542
Energy: 0.5589598912763385
Energy: 0.5404686648502766
Energy: 0.48485484954684116
Energy: 0.6847764441461414
Energy: 0.5445754845073663
Energy: 0.5561031514335061
Energy: 0.6443279851628725
Energy: 0.5437813490340685
Energy: 0.5366397445227677
Energy: 0.6901009282022937
Energy: 0.4740924652417522
Energy: 0.527492651101756
Energy: 0.6901081339816783
Energy: 0.47375696648695353
Energy: 0.538004335931929
Energy: 0.516947472186101
Energy: 0.5578518272642803
Energy: 0.5269805652283562
Energy: 0.5164544809018936
Energy: 0.6906473623325597
Energy: 0.5164724773855721
Energy: 0.5270519189754039
Energy: 0.480112602191904
Energy: 0.49901210208931734
Energy: 0.5319114722490854
Energy: 0.5252646968147799
Energy: 0.48596776204070435
Energy: 0.6908973340307377
Energy: 0.507669673317001
Energy: 0.524838242553419
Energy: 0.5722941082435723
Energy: 0.5080305462517636
Energy: 0.5604474550350174
Energy: 0.6464417336523778
Energy: 0.5086322057092686
Energy: 0.5257348630892491
Energy: 0.6534413952094156
Energy: 0.5079456596844276
Energy: 0.5389199853752138
Energy: 0.5079302756437779
Energy: 0.5192954640877936
Energy: 0.5100604484256271
Energy: 0.513001352089765
Energy: 0.4912031108266985
Energy: 0.5009730406018105
Energy: 0.5077105745622814
Energy: 0.5433974723669864
Energy: 0.5079508311700338
Energy: 0.5081446158422244
Energy: 0.6502356467601649
Energy: 0.5080450886013075
Energy: 0.5080563766518338
Energy: 0.5109338286320343
Energy: 0.5694352257930649
Energy: 0.5134015458184912
Energy: 0.4962583565694219
Energy: 0.5525875599760197
Energy: 0.6510632822862991
Energy: 0.5214310834521272
Energy: 0.5416832505543538
Energy: 0.6461424716666971
Energy: 0.5164699227963419
Energy: 0.5254064859141634
Energy: 0.6434678329063
Energy: 0.5164273504165573
Energy: 0.520094192532957
Energy: 0.6802382516270106
Energy: 0.5162631878319887
Energy: 0.5596723106326236
Energy: 0.5537142863316316
Energy: 0.48762049696882753
Energy: 0.48682769782475016
Energy: 0.5556129771974799
Energy: 0.5447054428571317
Energy: 0.4867507354713506
Energy: 0.5372957788186605
Energy: 0.5536200883688459
Energy: 0.5534802891746907
Energy: 0.5375979120127732
Energy: 0.7053052362442437
Energy: 0.5368517023535967
Energy: 0.7017604250122641
Energy: 0.4906905607995134
Energy: 0.5238966090748797
Energy: 0.6941727622384909
Energy: 0.49064580150239634
Energy: 0.5557207474832745
Energy: 0.7008656795597433
Energy: 0.5817031770140213
Energy: 0.5806745274914217
Energy: 0.5941768172500991
Energy: 0.5797592508444226
Energy: 0.5600010831303578
Energy: 0.7153796461372599
Energy: 0.5672668164424668
Energy: 0.5791430852119248
Energy: 0.5617083534291564
Energy: 0.5673881283798418
Energy: 0.5579728334144536
Energy: 0.7026835384970298
Energy: 0.5377992094938802
Energy: 0.49062206697523175
Energy: 0.7035002399241846
Energy: 0.5437057921677786
Energy: 0.49078284134960914
Energy: 0.629513089619199
Energy: 0.584825637218005
Energy: 0.625183780069656
Energy: 0.6256754252561822
Energy: 0.7188859521306206
Energy: 0.624972058448449
Energy: 0.7633483958615718
Energy: 0.5705439814840396
Energy: 0.5828191847432133
Energy: 0.7219831148500531
Energy: 0.5703812127046858
Energy: 0.5829933518410249
Energy: 0.7857630897138016
Energy: 0.5805509187006455
Energy: 0.6957882113512859
Energy: 0.5334337103339537
Energy: 0.7254354425364368
Energy: 0.5815893231305715
Energy: 0.6598814067300517
Energy: 0.6724324326832629
Energy: 0.606044581330143
Energy: 0.5711750800117761
Energy: 0.6793300075082195
Energy: 0.5856508827797426
Energy: 0.7618749233408756
Energy: 0.6498066322717937
Energy: 0.6335242332851756
Energy: 0.7604350870042373
Energy: 0.6909052570898898
Energy: 0.6705052575503438
Energy: 0.752485805364411
Energy: 0.6190248974701057
Energy: 0.611563827843034
Energy: 0.7620425611730869
Energy: 0.7062718169594202
Energy: 0.654296894847021
Energy: 0.8234425738242648
Energy: 0.5889766711151436
Energy: 0.6080377829106355
Energy: 0.8110732296711084
Energy: 0.7693332750172508
Energy: 0.6162618736203774
Energy: 0.8300564432036256
Energy: 0.6333947754985743
Energy: 0.6325839179276819
Energy: 0.7672657938651672
Energy: 0.7304337622969166
Energy: 0.686654615709466

minimum gb energy = 0.47375696648695353 eV
minimum distance =  2.31513511683778 Angstroms
sigma value = 81


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

Energy: 0.005775289448429762
Energy: 0.2378374246876633
Energy: 0.23443450612285666
Energy: 0.005936699810433102
Energy: 0.12329390466374654
Energy: 0.006030775273926522
Energy: 0.04702701283006884
Energy: 0.006168832856992479
Energy: 0.006178660072225432
Energy: 0.046009327120200276
Energy: 0.006075131445849117
Energy: 0.006072561337966253
Energy: 0.04594642852510365
Energy: 0.006049369381680693
Energy: 0.12600924785828757
Energy: 0.046024211726306774
Energy: 0.006009885085204042
Energy: 0.126030831954875
Energy: 0.006176301779279828
Energy: 0.005915834490850345
Energy: 0.1260285071838842
Energy: 0.006120647214961056
Energy: 0.006055190415731678
Energy: 0.1260172515041622
Energy: 0.12272268233748895
Energy: 0.045950779133880466
Energy: 0.046088555627775314
Energy: 0.12275153575181677
Energy: 0.045969817354550996
Energy: 0.144432541272915
Energy: 0.0066145081210925265
Energy: 0.12624388879266005
Energy: 0.1260329954870231
Energy: 0.00591801342265587
Energy: 0.006181127217865658
Energy: 0.005922165910802247
Energy: 0.045997104976982214
Energy: 0.006074896200608921
Energy: 0.006171244218003693
Energy: 0.04605347190972461
Energy: 0.006165991198297955
Energy: 0.006200948002986122
Energy: 0.04607157912807968
Energy: 0.006016782653913968
Energy: 0.12604869030931837
Energy: 0.04588717549594355
Energy: 0.006054005610498159
Energy: 0.12602235975215878
Energy: 0.0067270773757102
Energy: 0.12610188732280203
Energy: 0.1260448792309198
Energy: 0.006081132716850538
Energy: 0.005848076769207106
Energy: 0.04677977045798558
Energy: 0.12276184833805051
Energy: 0.14420385822793091
Energy: 0.1445031477934197
Energy: 0.12277635354596936
Energy: 0.04600069575787738
Energy: 0.1440384562589426

minimum gb energy = 0.005775289448429762 eV
minimum distance =  2.43874724889415 Angstroms
sigma value = 3


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

Energy: 1.4431272748190287
Energy: 0.6780377367984286
Energy: 0.7523482507868445
Energy: 0.5489357594399321
Energy: 0.6297250727300915
Energy: 0.7286989513627319
Energy: 0.8418205768360852
Energy: 0.6552860965098681
Energy: 0.6549882742277785
Energy: 0.731755667216025
Energy: 0.659042894607588
Energy: 0.6476788543453439
Energy: 0.6719964117940742
Energy: 0.5625463011828584
Energy: 0.5623785739945644
Energy: 0.6099690085988972
Energy: 0.5768032659584396
Energy: 0.5660304749146331
Energy: 0.660473191814118
Energy: 0.5563019772833168
Energy: 0.5702977315904229
Energy: 0.7090463090071398
Energy: 0.5712071885234175
Energy: 0.5566129165235021
Energy: 0.5918775191830387
Energy: 0.6220508169434734
Energy: 0.6231396930453715
Energy: 0.6507324098604211
Energy: 0.658306148050095
Energy: 0.5806147669416614
Energy: 0.6105360071061461
Energy: 0.5677651525659577
Energy: 0.5748422332063252
Energy: 0.6245414402035837
Energy: 0.5576650656627639
Energy: 0.559199148553907
Energy: 0.6811527192258094
Energy: 0.5755699278216021
Energy: 0.5758013380787536
Energy: 0.6809295442819148
Energy: 0.572037963842802
Energy: 0.5731997071202629
Energy: 0.6616951215398419
Energy: 0.571164792254423
Energy: 0.5711823589767389
Energy: 0.6936225023363313
Energy: 0.5512488256559182
Energy: 0.5739587566279845
Energy: 0.7123274079696084
Energy: 0.6291529538784701
Energy: 0.5870375711613893
Energy: 0.6148336980137243
Energy: 0.6000908823356607
Energy: 0.5816752433789547
Energy: 0.6325510535345259
Energy: 0.6449422109593755
Energy: 0.608594166146863
Energy: 0.6360896968647622
Energy: 0.6155175881942095
Energy: 0.5792939994747861
Energy: 0.5999513790864636
Energy: 0.6151571412327529
Energy: 0.5763115009529599
Energy: 0.6676075817841559
Energy: 0.6156858138003292
Energy: 0.5584596461161699
Energy: 0.5498399160311334
Energy: 0.5755159303009165
Energy: 0.5759517612478372
Energy: 0.5735843281409286
Energy: 0.5754178350638093
Energy: 0.5382270457173124
Energy: 0.6046716057325122
Energy: 0.6248876421863633
Energy: 0.5610630086169974
Energy: 0.6044519859671833
Energy: 0.6395224896279557
Energy: 0.5664004510373571
Energy: 0.5786114689887472
Energy: 0.5057185261483796
Energy: 0.5858519444703635
Energy: 0.6188328653168609
Energy: 0.5056884634406473
Energy: 0.5647081328251208
Energy: 0.5850840815353243
Energy: 0.5185121797216523
Energy: 0.514644075712056
Energy: 0.5850215471402035
Energy: 0.5006750154720745
Energy: 0.518404513437048
Energy: 0.5838059243100912
Energy: 0.6115433283950094
Energy: 0.5490767239662881
Energy: 0.6783520317482176
Energy: 0.6522763642030668
Energy: 0.624201384792763
Energy: 0.4946288715138528
Energy: 0.5509736501329899
Energy: 0.5826510732170418
Energy: 0.49447813526361517
Energy: 0.6125478448465485
Energy: 0.5100542916462162
Energy: 0.5340759913757386
Energy: 0.6147237508507363
Energy: 0.5725488436006855
Energy: 0.5342363999485421
Energy: 0.6182467039012806
Energy: 0.5003707774275746
Energy: 0.5836354580698919
Energy: 0.5337179612645968
Energy: 0.5343798961742209
Energy: 0.5839093083133088
Energy: 0.5337149272931007
Energy: 0.5990554798926738
Energy: 0.6140779976568908
Energy: 0.5093294473658673
Energy: 0.5097604275280563
Energy: 0.5709747463068331
Energy: 0.5003328557603428
Energy: 0.5090449331346836
Energy: 0.6516921971248673
Energy: 0.5486585106387267
Energy: 0.5482588645128648
Energy: 0.5731629635480041
Energy: 0.5842090589766407
Energy: 0.5504252808046707
Energy: 0.5638374676127813
Energy: 0.5478068147113512
Energy: 0.5324904345527948
Energy: 0.5642138856296595
Energy: 0.5844845802546469
Energy: 0.5175412892272173
Energy: 0.5055575718367237
Energy: 0.6155286981274918
Energy: 0.6908567871563309
Energy: 0.5011824095532115
Energy: 0.595345108834762
Energy: 0.5108933962886164
Energy: 0.590543500644733
Energy: 0.5875802286218967
Energy: 0.6055398228458554
Energy: 0.6453977222932086
Energy: 0.590508855193396
Energy: 0.5490631229447405
Energy: 0.6260194260168226
Energy: 0.5553482600254218
Energy: 0.5637992245297944
Energy: 0.6026619532733679
Energy: 0.5441768444242773
Energy: 0.5406761890833021
Energy: 0.6786235916875488
Energy: 0.5668230146817678
Energy: 0.5668514718941272
Energy: 0.6220271723516467
Energy: 0.5879528366036889
Energy: 0.5744323168889202
Energy: 0.6385580606437821
Energy: 0.5694640403720966
Energy: 0.5709429517780651
Energy: 0.6385045530395431
Energy: 0.6174285597481455
Energy: 0.5916668960257886
Energy: 0.545201032898803
Energy: 0.6455883172724761
Energy: 0.6823510522740625
Energy: 0.5462314953108709
Energy: 0.6936619340967982
Energy: 0.5820407963477497
Energy: 0.6085325829514519
Energy: 0.7141880634656399
Energy: 0.5789768316184044
Energy: 0.6049251548432238
Energy: 0.6942829778082261
Energy: 0.5651321958801397
Energy: 0.6449368723014055
Energy: 0.6097114202642427
Energy: 0.6086222645267357
Energy: 0.645625091385374
Energy: 0.6798635740105823
Energy: 0.6279581854719218
Energy: 0.5627385866508245
Energy: 0.5741727711142999
Energy: 0.5650981445279702
Energy: 0.5681054625232647
Energy: 0.5433608960240438
Energy: 0.5699406218579409
Energy: 0.7199088417349242
Energy: 0.532122543236884
Energy: 0.5746511440185201
Energy: 0.6937197898819468
Energy: 0.5820331718538593
Energy: 0.5835142837550428
Energy: 0.5403002412310911
Energy: 0.6403238429929549
Energy: 0.6552669189044028
Energy: 0.5309077138998317
Energy: 0.6408974414274275
Energy: 0.6054138286313054

minimum gb energy = 0.49447813526361517 eV
minimum distance =  2.33930937911297 Angstroms
sigma value = 67


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

Energy: 0.7932116469782408
Energy: 0.8864858864060784
Energy: 0.8727740460358647
Energy: 0.784719083989859
Energy: 0.8565006600827513
Energy: 0.8712036247190739
Energy: 0.9228276376417235
Energy: 0.7718402683978091
Energy: 0.7560346006657066
Energy: 0.8641078230418253
Energy: 0.8190436233787134
Energy: 0.7501080533120812
Energy: 0.8621775163967291
Energy: 0.8782296388626758
Energy: 0.9557511718311463
Energy: 0.8053920130601642
Energy: 0.7258574001068268
Energy: 0.9586650673790647
Energy: 0.7970319607776688
Energy: 0.9613952463180513
Energy: 0.9477078867284218
Energy: 0.7946294369367148
Energy: 0.6688478064617429
Energy: 0.8940833422994457
Energy: 0.8014779470635108
Energy: 0.7543573249297488
Energy: 0.7479102342614435
Energy: 0.8129981779002716
Energy: 0.7712947967582687
Energy: 0.75421825496741
Energy: 0.7512625097377627
Energy: 0.9415946584406457
Energy: 0.7234537125142616
Energy: 0.8541408089273274
Energy: 0.9384553585803899
Energy: 0.9115046033218294
Energy: 0.8178931141598484
Energy: 0.7387664324807854
Energy: 0.72353639753613
Energy: 0.7669081538982093
Energy: 0.7537332901978417
Energy: 0.7505824184533403
Energy: 0.816166179970438
Energy: 0.7911208256849599
Energy: 0.7971227117393102
Energy: 0.8137887317166197
Energy: 0.8038911050182113
Energy: 0.7601061301066061
Energy: 0.8137601127270468
Energy: 0.7391079776432887
Energy: 0.7521144920939551
Energy: 0.7568369818031682
Energy: 0.7185767801951018
Energy: 0.7425680917657531
Energy: 0.7571275791379273
Energy: 0.7338983335081195
Energy: 0.7317984390585264
Energy: 0.7577471602594933
Energy: 0.7546922886891612
Energy: 0.7320885438114426
Energy: 0.7561813415428488
Energy: 0.7812766164860927
Energy: 0.8429083035629356
Energy: 0.8033645558477568
Energy: 0.8323378423813934
Energy: 0.7877645420805917
Energy: 0.6519321167728652
Energy: 0.7600247520093175
Energy: 0.7663683063493113
Energy: 0.6476861947704896
Energy: 0.7528731666098553
Energy: 0.6668537797915594
Energy: 0.6726806183269077
Energy: 0.7652929189375289
Energy: 0.7439226061288189
Energy: 0.6730201318456406
Energy: 0.7536667806361389
Energy: 0.6885183658981989
Energy: 0.7294427668946711
Energy: 0.717152382729756
Energy: 0.7878417518013628
Energy: 0.7551213093285732
Energy: 0.6713590493821561
Energy: 0.7508396677656719
Energy: 0.7518490759934028
Energy: 0.6904723182145638
Energy: 0.6892334560105212
Energy: 0.7532026404055806
Energy: 0.6788229722863867
Energy: 0.6891195158327892
Energy: 0.7221834047329879
Energy: 0.8131399392806723
Energy: 0.7453039653650121
Energy: 0.7340234422516235
Energy: 0.7557925544970725
Energy: 0.7453260288995169
Energy: 0.7347344009018213
Energy: 0.7707288989996594
Energy: 0.7894357351459699
Energy: 0.7359372048556971
Energy: 0.7571265455738772
Energy: 0.7044309057855097
Energy: 0.7033012238557035
Energy: 0.7520533536271309
Energy: 0.7463250860970568
Energy: 0.7039845721437084
Energy: 0.7474794398613256
Energy: 0.7040417686336577
Energy: 0.9624053644205101
Energy: 0.8355513937148134
Energy: 0.8067714254106738
Energy: 0.7643419579893235
Energy: 0.8597280074163729
Energy: 0.8535680683390217
Energy: 0.7579119393767202
Energy: 0.7683702626218406
Energy: 0.7713265350260124
Energy: 0.7611696974990737
Energy: 0.7727315653133331
Energy: 0.771374506135609
Energy: 0.7036197797526194
Energy: 0.8673127727710974
Energy: 0.8720372196997385
Energy: 0.7136018155711633
Energy: 0.7292009493287185
Energy: 0.8683663672275007
Energy: 0.8463032895827285
Energy: 0.7979695417191678
Energy: 0.8714836065092587
Energy: 0.8062580161310442
Energy: 0.8263182320724272
Energy: 0.86785884034317
Energy: 0.9070293738569025
Energy: 0.7818852326943403
Energy: 0.7646965838290393
Energy: 0.925917822313379
Energy: 0.785430783638358
Energy: 0.7415790342674374

minimum gb energy = 0.6476861947704896 eV
minimum distance =  2.34001483677768 Angstroms
sigma value = 33


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

Energy: 1.5040446619650436
Energy: 1.1699270760700862
Energy: 1.1382963376143436
Energy: 0.9444488738244332
Energy: 1.186770087096697
Energy: 0.9697576495988925
Energy: 1.0400022210255744
Energy: 0.8773162761459469
Energy: 0.8654479407825107
Energy: 0.8901185721436964
Energy: 0.8631850764470728
Energy: 0.8947238634789163
Energy: 1.0165926551068243
Energy: 1.047317420301358
Energy: 1.047658082189759
Energy: 0.8869818767339889
Energy: 1.0813100211744904
Energy: 1.047902957122618
Energy: 0.9757414758996448
Energy: 1.0456053897614805
Energy: 1.0439401380929312
Energy: 0.8878403247626411
Energy: 1.0109454220045495
Energy: 1.0436096752461375
Energy: 0.8361463632983275
Energy: 0.8640672202740598
Energy: 0.8673202919231117
Energy: 0.8904299699629408
Energy: 0.9859818557565164
Energy: 0.8682863378116383
Energy: 0.8883165952703217
Energy: 1.0606742387717802
Energy: 1.0632235167449962
Energy: 0.9065659961244805
Energy: 1.0514876201017118
Energy: 0.9313314208080229
Energy: 0.8540466455556687
Energy: 0.8522463659816774
Energy: 0.8554314789268681
Energy: 0.8618835395164594
Energy: 0.8657822624394333
Energy: 0.8420492243925487
Energy: 0.8828117153159085
Energy: 0.8960318169544871
Energy: 0.8958370205253249
Energy: 0.8836563547328417
Energy: 0.8998722500046309
Energy: 0.8953104359915572
Energy: 0.9100577578264546
Energy: 0.948974294165247
Energy: 0.8581222987597643
Energy: 0.8799262029202349
Energy: 0.935388285546448
Energy: 0.8556463831834729
Energy: 0.8571406620014782
Energy: 0.809445079668196
Energy: 0.8093050657028622
Energy: 0.8515167319340381
Energy: 0.8280743218827358
Energy: 0.8085882039944814
Energy: 0.8486389798235008
Energy: 0.8326201402458873
Energy: 0.8912638952771076
Energy: 0.8746370623168678
Energy: 0.8325430091541252
Energy: 0.8598227100344377
Energy: 0.8142901356158772
Energy: 0.8422617236089321
Energy: 0.8207865994135389
Energy: 0.8133115235887033
Energy: 0.8522229924637479
Energy: 0.8062477845880409
Energy: 0.798210387573962
Energy: 0.8583401886503774
Energy: 0.8062573869385647
Energy: 0.804672742650608
Energy: 0.8552330384667352
Energy: 0.8044600895011984
Energy: 0.8588571920353578
Energy: 0.9343149561189278
Energy: 0.9231106054368561
Energy: 0.8933920295090051
Energy: 0.9260964239923802
Energy: 0.8684043059544411
Energy: 0.8736203951689347
Energy: 0.8619296291876899
Energy: 0.8673924064971876
Energy: 0.8846715433536018
Energy: 0.8583743793731755
Energy: 0.8637396978382603
Energy: 0.9134941123669265
Energy: 1.012218624310107
Energy: 0.9319199176066943
Energy: 0.8505131648913121
Energy: 0.9676250524603635
Energy: 0.8470023408799326
Energy: 1.009882727859388
Energy: 0.9348208449054642
Energy: 0.935365791396807
Energy: 1.0218153668768601
Energy: 0.9354653684326041
Energy: 0.9393553011048191
Energy: 1.07103701349283
Energy: 0.8649114571286831
Energy: 0.8720666834750613
Energy: 0.8898674139919076
Energy: 0.8788459340234013
Energy: 0.8880610954569821
Energy: 0.9165125473053095
Energy: 1.0345216308333054
Energy: 1.1606648284152767
Energy: 0.9490985371031962
Energy: 1.0252356047566968
Energy: 0.9462454155450906
Energy: 0.8895547901687149
Energy: 0.877879065750353
Energy: 0.8762963745913218
Energy: 0.9301750033204902
Energy: 0.9862130716124725
Energy: 0.867828134106761
Energy: 1.0568588863169845
Energy: 1.0456824104731153
Energy: 1.0473406023112295
Energy: 0.8877535704018039
Energy: 1.1306677573595765
Energy: 1.0459218001282207
Energy: 0.9751431328086071
Energy: 1.0558562263630018
Energy: 1.0460388179979885
Energy: 0.886694017390018
Energy: 0.9163776594224251
Energy: 1.0442956939010966
Energy: 0.8715811675088342
Energy: 0.8724225474576323
Energy: 0.8679399595762398
Energy: 0.8593789154495246
Energy: 0.8632316447053904
Energy: 0.9100193707266091
Energy: 1.38839995215084
Energy: 1.083494763248669
Energy: 1.0102473581464022
Energy: 0.9057563057582148
Energy: 1.0530718483521808
Energy: 0.9585882406657812
Energy: 0.8502870445229368
Energy: 0.8468714603465424
Energy: 0.8561830067794018
Energy: 0.8625232591183161
Energy: 0.8941167944422767
Energy: 0.8627101331847297
Energy: 0.882065958658061
Energy: 0.8964882282864751
Energy: 0.8974483444873463
Energy: 0.8832048094157461
Energy: 0.9145738149920918
Energy: 0.9002065292210198
Energy: 0.9519620491996457
Energy: 0.9679732770808563
Energy: 0.8950039096635247
Energy: 0.9387306287295013
Energy: 0.9435313246803054
Energy: 0.8927886323317205
Energy: 0.8718506890320502
Energy: 0.8099191784146201
Energy: 0.8088696850770108
Energy: 0.8808206793068608
Energy: 0.8187731921828738
Energy: 0.8218136349289689
Energy: 0.8487794504158443
Energy: 0.8528838980610871
Energy: 0.8601561569967716
Energy: 0.8554302045565879
Energy: 0.8290120241308849
Energy: 0.9384340240667886
Energy: 0.8374393304474403
Energy: 0.8575538277721907
Energy: 0.8230637417200922
Energy: 0.8184642158254857
Energy: 0.8565922555862591
Energy: 0.8067523700727712
Energy: 0.8032494372052841
Energy: 0.846374183291388
Energy: 0.8062749480779218
Energy: 0.8003256447619906
Energy: 0.856579752286432
Energy: 0.8060580344500453
Energy: 0.8590177962091069
Energy: 0.9290180937921508
Energy: 0.9396560027979721
Energy: 0.9004496134958513
Energy: 0.9314566367248575
Energy: 0.8680070861511862
Energy: 0.857166634543517
Energy: 0.8834306828203934
Energy: 0.8902750244768128
Energy: 0.8866314642891049
Energy: 0.8961164191980013
Energy: 0.8892622981760129
Energy: 0.9191675231063009
Energy: 0.8948366688140033
Energy: 0.945199642730688
Energy: 0.913580364890069
Energy: 0.9340800962342553
Energy: 0.9216871628656992
Energy: 1.0114184011580107
Energy: 0.935091276449806
Energy: 0.9350220984937846
Energy: 1.0099774863851112
Energy: 0.8674453501923381
Energy: 0.953090355402908
Energy: 1.070314298545509
Energy: 0.8639188736141284
Energy: 0.8716457419436392
Energy: 0.9339816604647494
Energy: 0.8652890628629267
Energy: 0.9743231708080066
Energy: 0.917764469657328
Energy: 1.033071449509371
Energy: 1.142419233899478
Energy: 0.948933694373167
Energy: 1.027056366122799
Energy: 0.9400165871402582

minimum gb energy = 0.798210387573962 eV
minimum distance =  2.32752417993815 Angstroms
sigma value = 41


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

Energy: 1.3732487396991546
Energy: 1.1102500029530806
Energy: 1.1869930391014298
Energy: 1.0142085279411477
Energy: 1.1268128322455115
Energy: 1.161572187207836
Energy: 1.1705090261255855
Energy: 1.0296344082443214
Energy: 1.111844329451642
Energy: 1.0218678057560358
Energy: 1.0211492966950688
Energy: 1.202021611653508
Energy: 1.2923191532879728
Energy: 1.0831462362286561
Energy: 1.0708526493041375
Energy: 1.3081408259318075
Energy: 1.1044653857398827
Energy: 1.1043422822650737
Energy: 1.265372318936885
Energy: 1.1289460917618994
Energy: 1.0727636395327107
Energy: 1.212507796926596
Energy: 1.2270887232781988
Energy: 1.0418575447723657
Energy: 1.0330958267920805
Energy: 1.0284084288197164
Energy: 1.0075886641334413
Energy: 1.105682345776465
Energy: 1.0965649837084388
Energy: 1.0657401092178764
Energy: 1.0212277898951883
Energy: 1.0882226614303228
Energy: 1.0904194383272925
Energy: 1.0289125559850612
Energy: 1.0931713133817864
Energy: 1.089557120150417
Energy: 0.9983571613090966
Energy: 1.0544789949497047
Energy: 1.0600695195330714
Energy: 1.0181482732997267
Energy: 1.1129251388110997
Energy: 1.0345581588078103
Energy: 0.98781899543121
Energy: 0.9632689547318647
Energy: 0.9636561328533396
Energy: 0.9940401627802575
Energy: 0.9947102137308252
Energy: 1.0202268120345528
Energy: 1.0053798771947884
Energy: 0.9873375164913617
Energy: 1.0213864733738256
Energy: 1.0121633976693662
Energy: 1.011994151738266
Energy: 0.9636773608192645
Energy: 1.0582076553118678
Energy: 0.980425488073124
Energy: 0.956564436874582
Energy: 1.035061513206626
Energy: 0.9795939061271074
Energy: 0.9835128173504126
Energy: 1.0078839563475153
Energy: 0.9965462123585996
Energy: 0.9963527039156651
Energy: 1.0269986749641815
Energy: 1.0255922292899449
Energy: 1.002891916540733
Energy: 1.0845687148930976
Energy: 0.9633811793574779
Energy: 1.0040856801958264
Energy: 1.085779965089495
Energy: 1.0066697099762505
Energy: 1.0385377322928568
Energy: 1.1594203439421533
Energy: 1.0400668130930755
Energy: 1.0227531891078185
Energy: 1.0273026704820918
Energy: 1.0318220803535159
Energy: 1.0169147327522765
Energy: 1.0445100384028687
Energy: 1.1226331529403402
Energy: 1.1568895413997884
Energy: 1.0576948706030358
Energy: 1.1250695307187468
Energy: 1.1593699204229508

minimum gb energy = 0.956564436874582 eV
minimum distance =  2.32907292488794 Angstroms
sigma value = 11


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

Energy: 1.6422540626809627
Energy: 1.2100829392443122
Energy: 1.393801147376861
Energy: 1.2319552444727828
Energy: 1.2123841969543603
Energy: 1.2584234564502694
Energy: 1.3826902480016694
Energy: 1.1344979313220287
Energy: 1.1000900687762163
Energy: 1.1746627640968308
Energy: 1.203476659251223
Energy: 1.1203172375822597
Energy: 1.2772602575122274
Energy: 1.1768298814262712
Energy: 1.1834277208428463
Energy: 1.2883155270785054
Energy: 1.216475623645108
Energy: 1.2096932984266384
Energy: 1.2710485744301938
Energy: 1.2382415680042733
Energy: 1.1872011495407857
Energy: 1.2461354707601444
Energy: 1.2349506627588775
Energy: 1.1669617998256068
Energy: 1.1959875536177542
Energy: 1.099199173553193
Energy: 1.124087755747054
Energy: 1.2136635404658112
Energy: 1.1341539104718643
Energy: 1.1226017844376779
Energy: 1.1885218332199294
Energy: 1.1281230988976998
Energy: 1.136917059010237
Energy: 1.1428153649211092
Energy: 1.1166527085711406
Energy: 1.135849398285048
Energy: 1.1059856513253707
Energy: 1.1138552434598874
Energy: 1.0854025355021675
Energy: 1.099927626029267
Energy: 1.084274272802124
Energy: 1.0856882675567134
Energy: 1.1228627212246123
Energy: 1.1169664819785348
Energy: 1.0902572871656573
Energy: 1.1369001068543045
Energy: 1.1780344178991011
Energy: 1.1187090149837144
Energy: 1.2689334407878312
Energy: 1.1855578468749162
Energy: 1.1883408253480856
Energy: 1.2329561669436684
Energy: 1.225539691794507
Energy: 1.2105495821224606
Energy: 1.2793968807113132
Energy: 1.2259974961874467
Energy: 1.2056097727750454
Energy: 1.2509337628215977
Energy: 1.2405370787588939
Energy: 1.2090005193621112
Energy: 1.227369221316294
Energy: 1.166898710485134
Energy: 1.1469963215952037
Energy: 1.2291175326389407
Energy: 1.1631990695291354
Energy: 1.1161718245885248
Energy: 1.344401192182491
Energy: 1.312281535959826
Energy: 1.2785352953727087
Energy: 1.2671708577604401
Energy: 1.2012498792403303
Energy: 1.2796034194758739
Energy: 1.2300915390479807
Energy: 1.1454842086789065
Energy: 1.1931951178409963
Energy: 1.1759973357684816
Energy: 1.1458773068224284
Energy: 1.1664595357240073
Energy: 1.2512708962302586
Energy: 1.215683942216687
Energy: 1.194456403507585
Energy: 1.1597127760310502
Energy: 1.2008054880939623
Energy: 1.1725550615586167
Energy: 1.0887855053898021
Energy: 1.1421264228982857
Energy: 1.1545421718857796
Energy: 1.126635320713053
Energy: 1.105174413489987
Energy: 1.2029375433205727
Energy: 1.088506218927115
Energy: 1.0886169930993859
Energy: 1.096919930592432
Energy: 1.0867166534853558
Energy: 1.1465795380004158
Energy: 1.0976985812734237
Energy: 1.0966409641058203
Energy: 1.1067777756968833
Energy: 1.1134343850054749
Energy: 1.1100442366565932
Energy: 1.1082651740366714
Energy: 1.135562032414007
Energy: 1.3699657328869528
Energy: 1.1538489926178892
Energy: 1.1572583300930102
Energy: 1.1453922369705865
Energy: 1.1401318643818832
Energy: 1.1442290489077729
Energy: 1.2312209721358143
Energy: 1.1163300763737039
Energy: 1.0894219689517468
Energy: 1.112355997332033
Energy: 1.1432435305880273
Energy: 1.1753982743766422
Energy: 1.2990435333692016
Energy: 1.2222250784593855
Energy: 1.2224281686425327
Energy: 1.2990647620895102
Energy: 1.228225289351984
Energy: 1.1773493960214805
Energy: 1.3119646748984637
Energy: 1.2636659376311734
Energy: 1.1845561357146892
Energy: 1.3051751394035818
Energy: 1.2981251638941442
Energy: 1.1306541794800222
Energy: 1.2388650456012835
Energy: 1.1599182071384027
Energy: 1.1389092282409918
Energy: 1.2066302336072219
Energy: 1.2449461872684973
Energy: 1.1794225737644004
Energy: 1.300291725931908
Energy: 1.2267203988240059
Energy: 1.2810737137997434
Energy: 1.1839361367591743
Energy: 1.2250145553774974
Energy: 1.2852153975445846
Energy: 1.164306612591314
Energy: 1.1516938529065694
Energy: 1.130432538342089
Energy: 1.167818984248576
Energy: 1.1397067714800557
Energy: 1.126532850124337
Energy: 1.1236746705235408
Energy: 1.1705029785848018
Energy: 1.1579211876414257
Energy: 1.1358413538965413
Energy: 1.1393715364379127
Energy: 1.131734855333332
Energy: 1.16293981337242
Energy: 1.1042111642455057
Energy: 1.1323416285914818
Energy: 1.132415464641744
Energy: 1.1060257293865794
Energy: 1.125973507756926
Energy: 1.1980727731352794
Energy: 1.1145954269923242
Energy: 1.1136308798900463
Energy: 1.1749869335893746
Energy: 1.070525920648956
Energy: 1.1146081691991077
Energy: 1.1762343023002224
Energy: 1.1662647238491752
Energy: 1.1672746742715394
Energy: 1.1686106200912545
Energy: 1.10970512528447
Energy: 1.097233152999626
Energy: 1.185366452595693
Energy: 1.1943132328575337
Energy: 1.1701063459394423
Energy: 1.1844741620532604
Energy: 1.144819130103017
Energy: 1.1714115209655034
Energy: 1.30829827285381
Energy: 1.147673825463739
Energy: 1.1427271261461387
Energy: 1.1756517240970787
Energy: 1.1522948621214852
Energy: 1.1999655681711496
Energy: 1.314918567183288
Energy: 1.2650377134203799
Energy: 1.3431361935714625
Energy: 1.2245832028954027
Energy: 1.2619772485728
Energy: 1.3448249043193126

minimum gb energy = 1.070525920648956 eV
minimum distance =  2.30942728282269 Angstroms
sigma value = 57


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

Energy: 1.4626270461939392
Energy: 1.216287657311287
Energy: 1.1986493835118113
Energy: 1.1944554042248994
Energy: 1.5660007869289625
Energy: 1.197824969456553
Energy: 1.4197592876321374
Energy: 1.168253891628122
Energy: 1.1689227647505605
Energy: 1.1494520378770703
Energy: 1.1621608094433178
Energy: 1.1336834747654954
Energy: 1.1996114284531048
Energy: 1.156823943416551
Energy: 1.1565442949949598
Energy: 1.2212126353655233
Energy: 1.1604506551342726
Energy: 1.2111816950497123
Energy: 1.2154257303050522
Energy: 1.1598382250307668
Energy: 1.1682508476413782
Energy: 1.2110896881215478
Energy: 1.2170831920306753
Energy: 1.1630273511446214
Energy: 1.2884049282021455
Energy: 1.1912946770155022
Energy: 1.1627343541661568
Energy: 1.1995398566664686
Energy: 1.168682826077522
Energy: 1.157240810832067
Energy: 1.2873180776020094
Energy: 1.1864330616184315
Energy: 1.1502107373094579
Energy: 1.200345854731588
Energy: 1.1667207635762027
Energy: 1.1561177181138003
Energy: 1.1690664378341589
Energy: 1.1711875526696054
Energy: 1.1710399314236346
Energy: 1.197466635200539
Energy: 1.1589061851902775
Energy: 1.1896944841808088
Energy: 1.2487874218035218
Energy: 1.140294022047975
Energy: 1.1394738135683606
Energy: 1.177293417368405
Energy: 1.1823698392877862
Energy: 1.1491393745088776
Energy: 1.3554433921401006
Energy: 1.2134937638374312
Energy: 1.1996361015852517
Energy: 1.2809512622299877
Energy: 1.21352834092372
Energy: 1.2035655300229582
Energy: 1.3549549266129237
Energy: 1.2212944408839497
Energy: 1.198965900942449
Energy: 1.2803842839995667
Energy: 1.19513911585037
Energy: 1.2019373648971907
Energy: 1.3144336367669243
Energy: 1.1333774160310468
Energy: 1.1482130190907678
Energy: 1.1872339603479876
Energy: 1.1697028523536774
Energy: 1.1841674070045156
Energy: 1.2015782040748135
Energy: 1.1855357945333578
Energy: 1.1857260073241027
Energy: 1.1966263576103189
Energy: 1.1864420079867644
Energy: 1.165819472641805
Energy: 1.2447869702002496
Energy: 1.1679199019861468
Energy: 1.1335119600091812
Energy: 1.1498908338829503
Energy: 1.1682381811420115
Energy: 1.1338227118162867
Energy: 1.2869301845713939
Energy: 1.181694249586977
Energy: 1.1819382041371793
Energy: 1.1570401523405769
Energy: 1.160333184576313
Energy: 1.1578468769538497
Energy: 1.2326691248876276
Energy: 1.1262288788042967
Energy: 1.1446539692763074
Energy: 1.1871962927754778
Energy: 1.1604523134587588
Energy: 1.144909530650798
Energy: 1.1723841091821063
Energy: 1.1059418205793146
Energy: 1.1056404113400757
Energy: 1.193630212940331
Energy: 1.1056586538963022
Energy: 1.1630932663604507
Energy: 1.280444824728154
Energy: 1.1479227442415607
Energy: 1.188815469375799
Energy: 1.2073227769019534
Energy: 1.1437588656488296
Energy: 1.1478989155804329

minimum gb energy = 1.1056404113400757 eV
minimum distance =  2.32562696838329 Angstroms
sigma value = 9


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

Energy: 1.7163201940995123
Energy: 1.3668885898704453
Energy: 1.4537514243867933
Energy: 1.4488269424295401
Energy: 1.8159430315502205
Energy: 1.4516666108524001
Energy: 1.3824101426139044
Energy: 1.1405894415886761
Energy: 1.1844074697996871
Energy: 1.1594736311799467
Energy: 1.177726012573818
Energy: 1.1458681092131409
Energy: 1.3126580067496079
Energy: 1.1916165218005068
Energy: 1.2144142361731065
Energy: 1.2926907971108537
Energy: 1.180780262873702
Energy: 1.1916439651385349
Energy: 1.2409430213055217
Energy: 1.1904968223161025
Energy: 1.1808175259498181
Energy: 1.2399168101285691
Energy: 1.1895148537263251
Energy: 1.2120386536618182
Energy: 1.230004098154826
Energy: 1.171730922144203
Energy: 1.1739980776570287
Energy: 1.1874742909589802
Energy: 1.1642750001247701
Energy: 1.1745696601832347
Energy: 1.1825786219709737
Energy: 1.1581703392784723
Energy: 1.162903968850784
Energy: 1.1883433190321362
Energy: 1.1549022161069324
Energy: 1.1745718231507427
Energy: 1.3063703672433518
Energy: 1.2029040376862998
Energy: 1.4525905780525044
Energy: 1.3063359808834734
Energy: 1.2010462480453283
Energy: 1.4330425473253288
Energy: 1.2427549483422498
Energy: 1.1500796420236572
Energy: 1.1424975622872764
Energy: 1.2240379784605073
Energy: 1.1628378306090672
Energy: 1.1578152407296711
Energy: 1.2848745369855488
Energy: 1.1555888169347215
Energy: 1.169497328955875
Energy: 1.2544443113453414
Energy: 1.2192891876279737
Energy: 1.199284786821505
Energy: 1.2847257832111907
Energy: 1.1552120463359954
Energy: 1.190360538944589
Energy: 1.2140016870575492
Energy: 1.1486902157895145
Energy: 1.1492218211027587
Energy: 1.2572857931186903
Energy: 1.1774611026985018
Energy: 1.1787636127227887
Energy: 1.2117699300645504
Energy: 1.1963779803442351
Energy: 1.180048095782329
Energy: 1.2457771010485532
Energy: 1.1719973103811925
Energy: 1.1719072706904095
Energy: 1.2011678860251103
Energy: 1.1734812890883188
Energy: 1.1678892815397344
Energy: 1.2981680912074853
Energy: 1.1943304309017069
Energy: 1.1940159712369167
Energy: 1.2125606645300884
Energy: 1.19950033637334
Energy: 1.1966822098458167
Energy: 1.2832376393519522
Energy: 1.184580740384731
Energy: 1.1858649943947444
Energy: 1.2584361344439468
Energy: 1.1884728136393874
Energy: 1.1896014679150606
Energy: 1.3228646194203466
Energy: 1.212351342981376
Energy: 1.1571376465731673
Energy: 1.3232730360599483
Energy: 1.2409439258646375
Energy: 1.2866010587795305
Energy: 1.3132621671931966
Energy: 1.33788622461784
Energy: 1.2602445391272217
Energy: 1.3134032960584332
Energy: 1.2319238769982108
Energy: 1.2597451686996073
Energy: 1.3179585433047614
Energy: 1.1961959361226446
Energy: 1.1984659563010953
Energy: 1.2290879560819414
Energy: 1.2131089392906833
Energy: 1.2066934387645432
Energy: 1.2863682819409537
Energy: 1.2103437920252138
Energy: 1.2105935175948517
Energy: 1.1963151431707688
Energy: 1.1834360883616653
Energy: 1.2029005157907526
Energy: 1.2419607824520817
Energy: 1.2004832716251852
Energy: 1.191605552235636
Energy: 1.2237422303527954
Energy: 1.1759081960478623
Energy: 1.2203414609458552
Energy: 1.272217202903861
Energy: 1.2006274237253738
Energy: 1.2012480972342252
Energy: 1.2450812223177927
Energy: 1.2317136739363457
Energy: 1.1850907847794656
Energy: 1.2620327822926012
Energy: 1.1844059776273317
Energy: 1.1850187943489892
Energy: 1.1932365346170175
Energy: 1.2045439580701711
Energy: 1.1722469649356317

minimum gb energy = 1.1405894415886761 eV
minimum distance =  2.3097434768638 Angstroms
sigma value = 27


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

Energy: 1.5143382933410177
Energy: 1.5205036546799038
Energy: 1.3937563023549424
Energy: 1.392322842129202
Energy: 1.5557406217986658
Energy: 1.39289541145534
Energy: 1.480422922115375
Energy: 1.376559227098219
Energy: 1.377371687296928
Energy: 1.2491212311479556
Energy: 1.3798495004268
Energy: 1.381998854132431
Energy: 1.2955873112804066
Energy: 1.2720292467811087
Energy: 1.1989267058351283
Energy: 1.2848605072096968
Energy: 1.1058989081234862
Energy: 1.1994487578631878
Energy: 1.284502573768344
Energy: 1.1344854817456969
Energy: 1.1471444544239955
Energy: 1.2739873790442844
Energy: 1.166117242023064
Energy: 1.158387232886557
Energy: 1.1453606821326325
Energy: 1.2582707323169735
Energy: 1.123341596905991
Energy: 1.0914075137464259
Energy: 1.280098171277147
Energy: 1.1243385033645237
Energy: 1.2647094008294453
Energy: 1.1757014236422905
Energy: 1.173334614518866
Energy: 1.0906937231156708
Energy: 1.1892417409097227
Energy: 1.1626507898726643
Energy: 1.2677073944453086
Energy: 1.2851174050469503
Energy: 1.2857642307026496
Energy: 1.2678133210943057
Energy: 1.2850875525846528
Energy: 1.2855323858339387
Energy: 1.3179013499144534
Energy: 1.2676487717900526
Energy: 1.2682041486153433
Energy: 1.2733726143657138
Energy: 1.1483109389814687
Energy: 1.2749619108535046
Energy: 1.240161796111256
Energy: 1.1940380110525113
Energy: 1.193734214805454
Energy: 1.2003446223238239
Energy: 1.214754758206378
Energy: 1.1944130333223493
Energy: 1.2707318940002785
Energy: 1.2204555102685275
Energy: 1.220371940626188
Energy: 1.140716035898563
Energy: 1.235846089746334
Energy: 1.1810043609573215
Energy: 1.3281935154885236
Energy: 1.275153855312247
Energy: 1.277084668490868
Energy: 1.2839994419785086
Energy: 1.1112928316851842
Energy: 1.2774925745048304
Energy: 1.2593883066939127
Energy: 1.2168938759056933
Energy: 1.1623285247445432
Energy: 1.2598884477160979
Energy: 1.2330458454838464
Energy: 1.155485620502341
Energy: 1.3833445319997724
Energy: 1.2818870282535162
Energy: 1.283187350660472
Energy: 1.291107487183698
Energy: 1.2933399510997543
Energy: 1.273193182032037
Energy: 1.3834979123564979
Energy: 1.274617483332888
Energy: 1.2732541375053557
Energy: 1.2714359567526587
Energy: 1.2969792058868783
Energy: 1.2743758372480236
Energy: 1.2663624214878941
Energy: 1.1887236611533194
Energy: 1.1554382488570443
Energy: 1.264084473677899
Energy: 1.2481737387604956
Energy: 1.1676265303287257
Energy: 1.234489445257379
Energy: 1.221390701089312
Energy: 1.1565626558748903
Energy: 1.225910717886673
Energy: 1.1836566335114973
Energy: 1.1736851874956629
Energy: 1.186374269252021
Energy: 1.2685189836309683
Energy: 1.2682138900943347
Energy: 1.1047476327690247
Energy: 1.2726633998931038
Energy: 1.1416078004841008
Energy: 1.1647163570193342
Energy: 1.172006251592085
Energy: 1.1456910151842656
Energy: 1.1184258739625559
Energy: 1.175002953379403
Energy: 1.2194750054658385
Energy: 1.293530657086072
Energy: 1.2728698847233366
Energy: 1.2777293443482307
Energy: 1.294732248471724
Energy: 1.2890072464864566
Energy: 1.2763934064198161
Energy: 1.3018572052882846
Energy: 1.272132513546733
Energy: 1.276618441984861
Energy: 1.3022583461787018
Energy: 1.2564358079651832
Energy: 1.276361745500489
Energy: 1.2779514665079872
Energy: 1.1937375514789288
Energy: 1.137360586099806
Energy: 1.0907099427838842
Energy: 1.233558018770984
Energy: 1.180193560782014
Energy: 1.1265311506531372
Energy: 1.31390220865121
Energy: 1.2029773234315781
Energy: 1.1058570718248202
Energy: 1.3130333994216659
Energy: 1.1842813869729953
Energy: 1.3121994489661604
Energy: 1.181028628713011
Energy: 1.1702824220268542
Energy: 1.3006563197969738
Energy: 1.1948917662051903
Energy: 1.2060609659751713
Energy: 1.3168436493373783
Energy: 1.150240642101764
Energy: 1.1410277961366988
Energy: 1.2642834210901803
Energy: 1.1397935120980462
Energy: 1.1400259384813936
Energy: 1.2895013933014625
Energy: 1.3817796121843084
Energy: 1.3816984916347559
Energy: 1.3389409256989657
Energy: 1.3945145844556741
Energy: 1.3460848841867135

minimum gb energy = 1.0906937231156708 eV
minimum distance =  2.3396668062171 Angstroms
sigma value = 19


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

Energy: 1.689837813629991
Energy: 1.192224767347799
Energy: 1.6703093351797116
Energy: 1.43506881820724
Energy: 1.1661750508034008
Energy: 1.6760649929632416
Energy: 1.2986023967271612
Energy: 1.1554508789151943
Energy: 1.1335275432529344
Energy: 1.2024770424910167
Energy: 1.157064983149395
Energy: 1.1446839405888665
Energy: 1.2547384375743247
Energy: 1.0663724064903457
Energy: 1.0906487417786719
Energy: 1.2114697653414979
Energy: 1.1782444438359059
Energy: 1.1017656527818485
Energy: 1.1532937824848175
Energy: 1.14420739929522
Energy: 1.1392167856377053
Energy: 1.1456218446776683
Energy: 1.1148620073796935
Energy: 1.1381792833366564
Energy: 1.1198010860439862
Energy: 1.081496845872436
Energy: 1.1758765545516756
Energy: 1.0837865387743688
Energy: 1.197887905487469
Energy: 1.1000410595660162
Energy: 1.2171555734931292
Energy: 1.1168161939201178
Energy: 1.1202092270084036
Energy: 1.1749770318358395
Energy: 1.1177300434532482
Energy: 1.1203871042321953
Energy: 1.1973522497948392
Energy: 1.1314568722046303
Energy: 1.2350898908793397
Energy: 1.1491256542845814
Energy: 1.1449417719180284
Energy: 1.117567790287433
Energy: 1.2550496789696386
Energy: 1.1271335058863157
Energy: 1.1433688693259958
Energy: 1.2530495264137587
Energy: 1.1296616540715008
Energy: 1.2126871872746408
Energy: 1.1255605397224646
Energy: 1.0754171049540908
Energy: 1.079703073697604
Energy: 1.0776327397606655
Energy: 1.088396928972013
Energy: 1.079253824697748
Energy: 1.1740829253268645
Energy: 1.1242083438542656
Energy: 1.099847923527695
Energy: 1.0974593794464669
Energy: 1.122902409970041
Energy: 1.0812931287938388
Energy: 1.300999997564545
Energy: 1.1000573536878853
Energy: 1.2650171086438187
Energy: 1.2971211355363361
Energy: 1.092355683668733
Energy: 1.2843215185116506
Energy: 1.224950062699186
Energy: 1.1059637332308592
Energy: 1.1102223607388604
Energy: 1.1639138772987494
Energy: 1.1182869778838733
Energy: 1.1112618906924812
Energy: 1.313378511615003
Energy: 1.1387614894411389
Energy: 1.1290711787346523
Energy: 1.0669525469927936
Energy: 1.166484092121737
Energy: 1.1493992399045354
Energy: 1.2305372187415693
Energy: 1.14199065763763
Energy: 1.1294496906026033
Energy: 1.15202907285234
Energy: 1.1689457610033276
Energy: 1.1213034983337602
Energy: 1.2355197296232059
Energy: 1.0722720180735963
Energy: 1.0714730847668457
Energy: 1.1265558117050218
Energy: 1.0729151875389038
Energy: 1.0821050056212926
Energy: 1.1774954130467774
Energy: 1.0677066601671847
Energy: 1.0677215577488697
Energy: 1.1222771974796264
Energy: 1.0646547670766011
Energy: 1.088085324028617
Energy: 1.1747798086033272
Energy: 1.1191178558100179
Energy: 1.134673183586517
Energy: 1.2830088586946489
Energy: 1.132784764583595
Energy: 1.1444765895078837
Energy: 1.227385885780825
Energy: 1.109695948865542
Energy: 1.1098192492619328
Energy: 1.1533823385435027
Energy: 1.1444149082212451
Energy: 1.1212766725630976
Energy: 1.2853223036852803
Energy: 1.1181280963798408
Energy: 1.1339936548130651
Energy: 1.2216342012628498
Energy: 1.1328375238772852
Energy: 1.124856463699581
Energy: 1.1695660283182745
Energy: 1.1168948544479436
Energy: 1.1314153294956917
Energy: 1.1518699426927748
Energy: 1.102452906934145
Energy: 1.1041822874048293
Energy: 1.1113780213951006
Energy: 1.0825731528241591
Energy: 1.076280537685845
Energy: 1.0697250657684163
Energy: 1.120615770453044
Energy: 1.0765868494764288
Energy: 1.1179385257347334
Energy: 1.111299064332792
Energy: 1.102683108404874
Energy: 1.0729852454535038
Energy: 1.115080423247669
Energy: 1.0928494098333643
Energy: 1.2228512760417416
Energy: 1.132657297981992
Energy: 1.1449851544840082
Energy: 1.194165597529566
Energy: 1.1066973363279735
Energy: 1.1063665189801488
Energy: 1.1694881054462456
Energy: 1.1267210998685926
Energy: 1.1026806377932097
Energy: 1.1699588708091233
Energy: 1.1464439123156804
Energy: 1.1031489655357536
Energy: 1.2117794693877828
Energy: 1.1103576202710688
Energy: 1.1211341379541662
Energy: 1.1179633537060607
Energy: 1.1312917572002774
Energy: 1.1132459351130743
Energy: 1.1602228793691813
Energy: 1.1093658122213716
Energy: 1.111785347898688
Energy: 1.070244118739246
Energy: 1.1226046515208281
Energy: 1.1305907018184072
Energy: 1.2072328596246744
Energy: 1.0673803265823334
Energy: 1.0673697347993405
Energy: 1.1606262563549659
Energy: 1.0681326238384872
Energy: 1.0840092662124101
Energy: 1.2151354044824936
Energy: 1.072491009244942
Energy: 1.080512812988789
Energy: 1.0770220785323943
Energy: 1.0787312259945028
Energy: 1.0913966427409598
Energy: 1.2176130146573025
Energy: 1.1496127802329903
Energy: 1.2111954279354995
Energy: 1.1785295458607514
Energy: 1.2803682384452164
Energy: 1.1302096047075731

minimum gb energy = 1.0646547670766011 eV
minimum distance =  2.3014997049762 Angstroms
sigma value = 101


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

Energy: 1.565705756588224
Energy: 1.1412264239296843
Energy: 1.7035906236310656
Energy: 1.420063349519827
Energy: 1.1186072811988217
Energy: 1.3641844214157024
Energy: 1.1815185550689247
Energy: 1.0575295698815141
Energy: 1.0622824640515325
Energy: 1.116678165857811
Energy: 1.1043566678482164
Energy: 1.0736043837130191
Energy: 1.3239954700548784
Energy: 1.1902654917252113
Energy: 1.062011836505361
Energy: 1.2100051446535345
Energy: 1.1916412021103222
Energy: 1.0569710684958917
Energy: 1.1189446780762813
Energy: 1.082827112463918
Energy: 1.072028400900675
Energy: 1.0794970401102535
Energy: 1.0595319579644622
Energy: 1.0736577611645515
Energy: 1.0472370026237505
Energy: 1.0531126968384945
Energy: 1.037579965084777
Energy: 1.0253869977195686
Energy: 1.1886624936725754
Energy: 1.012730279296981
Energy: 1.1479138437339667
Energy: 1.0417605046751464
Energy: 1.0386483770309436
Energy: 1.0809279476947018
Energy: 1.0481679399690214
Energy: 1.0596680369266187
Energy: 1.247361710945351
Energy: 1.2282019630019845
Energy: 1.0598074072744008
Energy: 1.1289631684056365
Energy: 1.2426013480428393
Energy: 1.063654686620464
Energy: 1.172530054906998
Energy: 1.0804989453838498
Energy: 1.0775803040314949
Energy: 1.153249021060064
Energy: 1.1002337039066434
Energy: 1.072981538288788
Energy: 1.0886946514096227
Energy: 1.0152896021211346
Energy: 1.0246937082999927
Energy: 1.0340011020109003
Energy: 1.024004434275212
Energy: 1.0270249167170376
Energy: 1.1311968045588185
Energy: 1.071301528036649
Energy: 1.0859628606691363
Energy: 1.0600451948409038
Energy: 1.06621936694955
Energy: 1.0591696305104645
Energy: 1.3824628654088926
Energy: 1.3585288953418726
Energy: 1.3583852483462782
Energy: 1.370111480605151
Energy: 1.3586283539169342
Energy: 1.0515334886528382
Energy: 1.1276680491901518
Energy: 1.0572214473833763
Energy: 1.0536569615144242
Energy: 1.125336978565581
Energy: 1.0451012378499567
Energy: 1.0543443004698339
Energy: 1.1082005399782304
Energy: 1.0671572167970067
Energy: 1.0621067157437858
Energy: 1.2083111073730617
Energy: 1.0959044365444648
Energy: 1.0906576518884925
Energy: 1.1332240073380637
Energy: 1.0591813761986406
Energy: 1.0696416372763398
Energy: 1.0150653341322602
Energy: 1.0934897059813646
Energy: 1.0774064981752958
Energy: 1.2481432690859005
Energy: 1.0182967596305095
Energy: 1.0214534131132276
Energy: 1.0722545187449481
Energy: 1.013152349179151
Energy: 1.0216762896889633
Energy: 1.2172044569700509
Energy: 1.039339937387859
Energy: 1.038053702197637
Energy: 1.071328354246567
Energy: 1.022041611665336
Energy: 1.0551979027618301
Energy: 1.5503764720793938
Energy: 1.2023750309350418
Energy: 1.0603207664381165
Energy: 1.3844320514315003
Energy: 1.234744973945663
Energy: 1.3588889248873
Energy: 1.1463291628761403
Energy: 1.091021776820004
Energy: 1.0718193987673184
Energy: 1.0767565629958533
Energy: 1.1376707938877497
Energy: 1.0734338457598218
Energy: 1.3241417112530145
Energy: 1.039522012510214
Energy: 1.041295106232066
Energy: 1.163269391574098
Energy: 1.037063496450902
Energy: 1.050616813014345
Energy: 1.1564268981106895
Energy: 1.0534556396900971
Energy: 1.0554138835096698
Energy: 1.0730013195183892
Energy: 1.0398284577915067
Energy: 1.0487508951829712
Energy: 1.0470263549210148
Energy: 1.043476019772943
Energy: 1.041127702936031
Energy: 1.0257068791044965
Energy: 1.0497664851109136
Energy: 1.0123010540867168
Energy: 1.138289697552627
Energy: 1.0409804403307774
Energy: 1.04175872653908
Energy: 1.0386292262357693
Energy: 1.0440616116235157
Energy: 1.0410955205659722
Energy: 1.227362684341969
Energy: 1.0714368782490544
Energy: 1.0609570051357406
Energy: 1.2271908227184556
Energy: 1.07150134816875
Energy: 1.0553671948436165
Energy: 1.2233630035482432
Energy: 1.071288518082254
Energy: 1.0696775836339172
Energy: 1.1536710763045985
Energy: 1.0641281667902032
Energy: 1.070928650986665
Energy: 1.089455548876164
Energy: 1.0155166195562844
Energy: 1.030900368806872
Energy: 1.020743036995613
Energy: 1.0152177100254831
Energy: 1.0265002149890987
Energy: 1.1313418861540936
Energy: 1.0366002428039593
Energy: 1.0330428581590374
Energy: 1.0342794691909039
Energy: 1.0644958063801753
Energy: 1.023865257202797
Energy: 1.240010971949343
Energy: 1.0668403768014434
Energy: 1.0576616903437337
Energy: 1.0907557268777368
Energy: 1.066680550213333
Energy: 1.05202658359405
Energy: 1.162861641846635
Energy: 1.0518775544463932
Energy: 1.0525298611743397
Energy: 1.1625138669623873
Energy: 1.0461707868725159
Energy: 1.0590800770597162
Energy: 1.1324429218187644
Energy: 1.054919830105959
Energy: 1.054287380014051
Energy: 1.0541727843068158
Energy: 1.1075886762920253
Energy: 1.090782601761809
Energy: 1.1325210632481433
Energy: 1.047140313679258
Energy: 1.0553813543653288
Energy: 1.0543396717710352
Energy: 1.0435903178448198
Energy: 1.080917618509219
Energy: 1.2274088018657259
Energy: 1.0151971173400889
Energy: 1.021615847219624
Energy: 1.0603622887203337
Energy: 1.0157316483841503
Energy: 1.0439979748407806
Energy: 1.2555948534781702
Energy: 1.0203598933783706
Energy: 1.0311161469351775
Energy: 1.0852570949597564
Energy: 1.0261773227491247
Energy: 1.031426320157756
Energy: 1.1460647906745796
Energy: 1.2400166405045168
Energy: 1.0537060558133158
Energy: 1.0661573656541656
Energy: 1.104210402975963
Energy: 1.0529751135211

minimum gb energy = 1.0123010540867168 eV
minimum distance =  2.30991113043902 Angstroms
sigma value = 33


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

Energy: 0.006287338784871891
Energy: 0.868022643402664
Energy: 0.006552881763900722
Energy: 0.0076770921175545286
Energy: 0.9722881184811514
Energy: 0.006540224114507797
Energy: 0.48006646044176876
Energy: 0.11197025212873578
Energy: 0.11098023499774713
Energy: 0.21592197555863568
Energy: 0.11091534320854178
Energy: 0.2156478067961358
Energy: 1.2304766014391622
Energy: 0.9708180187725963
Energy: 0.9710361186407389
Energy: 1.0109294507792639
Energy: 0.8686447178371002
Energy: 0.9704285976750103
Energy: 0.006707501760136971
Energy: 0.11197025212873578
Energy: 0.11098023499774713
Energy: 0.21591360847423183
Energy: 0.11091534320854178
Energy: 0.21564780679654727

minimum gb energy = 0.006287338784871891 eV
minimum distance =  2.37246865971935 Angstroms
sigma value = 1