Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.84364253282547
cohesive_energy=4.0219588042344245
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.012561580461426806
Energy: 0.01291259704897984
Energy: 0.3143663853278407
Energy: 0.01291259704897984
Energy: 0.012561580461933626
Energy: 0.012912597048501177
Energy: 0.012912597049486661
Energy: 0.7016788120536311
Energy: 0.01291259704897984
Energy: 0.7016803338467302
Energy: 0.01291259704897984
Energy: 0.7016810138377662
Energy: 0.3143663853273339
Energy: 0.012912597048501177
Energy: 0.012561580461426806
Energy: 0.01291259704897984
Energy: 0.3143663853283194
Energy: 0.01291259704897984
Energy: 0.012912597049486661
Energy: 0.7016811999212624
Energy: 0.01291259704897984
Energy: 0.7016792035387839
Energy: 0.012912597049486661
Energy: 0.7016801731686153
Energy: 0.012561580461933626
Energy: 0.012912597048501177
Energy: 0.3143663853293049
Energy: 0.01291259704897984
Energy: 0.012561580461933626
Energy: 0.01291259704897984
Energy: 0.012912597048501177
Energy: 0.701677862264576
Energy: 0.012912597049486661
Energy: 0.7016810007727551
Energy: 0.012912597049486661
Energy: 0.7016797461766736

minimum gb energy = 0.012561580461426806 eV
minimum distance =  2.28903468294458 Angstroms
sigma value = 1


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

Energy: 0.6226515425416751
Energy: 0.5844440789496202
Energy: 0.5532712141159916
Energy: 0.5844440789508403
Energy: 0.6226515425441149
Energy: 0.5844440789508403
Energy: 0.5922242437217797
Energy: 0.555143818264956
Energy: 0.598153810017407
Energy: 0.555143818263736
Energy: 0.5922242437193399
Energy: 0.555143818263736
Energy: 0.5023944511454275
Energy: 0.6035649065929873
Energy: 0.5252185593259403
Energy: 0.6035649065954273
Energy: 0.5023944511454275
Energy: 0.6035649065929873
Energy: 0.5612763029394743
Energy: 0.6235469362119815
Energy: 0.5337606611766481
Energy: 0.6235469362119815
Energy: 0.5612763029406943
Energy: 0.6235469362119815
Energy: 0.5231863818736736
Energy: 0.594011319646334
Energy: 0.5243625409181047
Energy: 0.5940113196487741
Energy: 0.5231863818761135
Energy: 0.5940113196487741
Energy: 0.5243728205289321
Energy: 0.5825693001946949
Energy: 0.5056932472749067
Energy: 0.582569300193475
Energy: 0.524372820530152
Energy: 0.5825693001946949
Energy: 0.5253210459068551
Energy: 0.5737395227726811
Energy: 0.5107887516173136
Energy: 0.5737395227739012
Energy: 0.5253210459068551
Energy: 0.5737395227739012
Energy: 0.6121365478519478
Energy: 0.5810309743823541
Energy: 0.6775599592287921
Energy: 0.5810309743786942
Energy: 0.6121365478543878
Energy: 0.5810309743799141
Energy: 0.5293117987015549
Energy: 0.6131944445843827
Energy: 0.5382324764382809
Energy: 0.6131944445880425
Energy: 0.5293117987003348
Energy: 0.6131944445880425
Energy: 0.5770489830904894
Energy: 0.5834394800549869
Energy: 0.5059406183732084
Energy: 0.5834394800562069
Energy: 0.5770489830892693
Energy: 0.5834394800562069
Energy: 0.5258376664441777
Energy: 0.5915852731593947
Energy: 0.5113463682695865
Energy: 0.5915852731630545
Energy: 0.5258376664429577
Energy: 0.5915852731606145
Energy: 0.5382976597060373
Energy: 0.702243898894914
Energy: 0.5383492445888556
Energy: 0.702243898893694
Energy: 0.5382976597060373
Energy: 0.702243898893694
Energy: 0.511037371857042
Energy: 0.5915852731618345
Energy: 0.546665705372237
Energy: 0.5915852731606145
Energy: 0.5110373717948785
Energy: 0.5915852731618345
Energy: 0.5058802113813494
Energy: 0.577904185737202
Energy: 0.5769597105597312
Energy: 0.577904185738422
Energy: 0.5058802113801294
Energy: 0.577904185738422
Energy: 0.5382437877888584
Energy: 0.6135645080882972
Energy: 0.529441899221796
Energy: 0.6135645080882972
Energy: 0.5382437877900783
Energy: 0.6135645080870772
Energy: 0.6772659518141543
Energy: 0.5912911724181714
Energy: 0.6129053339443109
Energy: 0.5912911724169514
Energy: 0.6772659518324539
Energy: 0.5912911724169514
Energy: 0.5107893053782809
Energy: 0.5740419463994555
Energy: 0.5253758970892345
Energy: 0.5740419464006755
Energy: 0.5107893053782809
Energy: 0.5740419464006755
Energy: 0.5055511013079972
Energy: 0.5807050690048026
Energy: 0.5248220335006482
Energy: 0.5807050690035825
Energy: 0.5055511013067772
Energy: 0.5807050690048026
Energy: 0.5244020117047857
Energy: 0.5937853522816566
Energy: 0.5231776514613825
Energy: 0.5937853522816566
Energy: 0.5244020117011258
Energy: 0.5937853522816566
Energy: 0.5332853633297266
Energy: 0.6227639207358169
Energy: 0.5616385831079957
Energy: 0.6227639207358169
Energy: 0.5332853633321667
Energy: 0.622763920734597
Energy: 0.5253850677084966
Energy: 0.6035496621205905
Energy: 0.5023348039310398
Energy: 0.6035496621205905
Energy: 0.5253850677084966
Energy: 0.6035496621181504
Energy: 0.5981137776446499
Energy: 0.555250036467935
Energy: 0.5924165714020206
Energy: 0.555250036466715
Energy: 0.5981137776446499
Energy: 0.5552500364654951
Energy: 0.5532712141098916
Energy: 0.5844440789520602
Energy: 0.6226515425428951
Energy: 0.5844440789520602
Energy: 0.5532712141123316
Energy: 0.5844440789520602

minimum gb energy = 0.5023348039310398 eV
minimum distance =  2.29154427230104 Angstroms
sigma value = 33


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

Energy: 0.7643228271545546
Energy: 0.6142860308727298
Energy: 0.512526024036971
Energy: 0.6142860308761995
Energy: 0.7643228271524728
Energy: 0.6142860308755056
Energy: 0.5916045710690636
Energy: 0.5889964654779866
Energy: 0.5573575195123193
Energy: 0.5889964654779866
Energy: 0.591604570941414
Energy: 0.5889964654772927
Energy: 0.48276438718933523
Energy: 0.6467485850924369
Energy: 0.5880875439153336
Energy: 0.6467485850931309
Energy: 0.48276438719211096
Energy: 0.6467485850938248
Energy: 0.5306192697098538
Energy: 0.6292680993969969
Energy: 0.5739211070952874
Energy: 0.6292680993969969
Energy: 0.5306192698312265
Energy: 0.6292680993969969
Energy: 0.495339930132439
Energy: 0.619192456422849
Energy: 0.5583961969461878
Energy: 0.6191924564214611
Energy: 0.4953399301310512
Energy: 0.619192456422155
Energy: 0.7416964179823786
Energy: 0.6193895116136773
Energy: 0.510158074973008
Energy: 0.6193895116136773
Energy: 0.7416964179830725
Energy: 0.6193895116129834
Energy: 0.6636493820616657
Energy: 0.5874602743515508
Energy: 0.5706312338419174
Energy: 0.5874602743515508
Energy: 0.6636493820658292
Energy: 0.5874602743529387
Energy: 0.49647274113538814
Energy: 0.5978047830609641
Energy: 0.7552920532346508
Energy: 0.5978047830602701
Energy: 0.49646679963860646
Energy: 0.5978047830609641
Energy: 0.5385854453543426
Energy: 0.6288581961114
Energy: 0.5674729966562453
Energy: 0.628858196110706
Energy: 0.5385854453543426
Energy: 0.6288581961114
Energy: 0.5614224999307076
Energy: 0.6140286145824032
Energy: 0.498826167268403
Energy: 0.6140286145830972
Energy: 0.5614224999320641
Energy: 0.6140286145824032
Energy: 0.49304735486448775
Energy: 0.5977681966322692
Energy: 0.5575249405007329
Energy: 0.597768196630219
Energy: 0.4930476549422728
Energy: 0.597768196630219
Energy: 0.5733903690891263
Energy: 0.592367670651218
Energy: 0.47659928972237814
Energy: 0.592367670650524
Energy: 0.5733903690877384
Energy: 0.592367670650524
Energy: 0.5530183077629494
Energy: 0.6255240656686057
Energy: 0.5448571940218868
Energy: 0.6255240656679117
Energy: 0.5530183077629494
Energy: 0.6255240656679117
Energy: 0.59382914776707
Energy: 0.6106514924664159
Energy: 0.7740626518073177
Energy: 0.6106514924657219
Energy: 0.5938291477649882
Energy: 0.6106514924664159
Energy: 0.5722278366480527
Energy: 0.5948593911874434
Energy: 0.5741609406395645
Energy: 0.5948593911860555
Energy: 0.5722278366494405
Energy: 0.5948593911881372
Energy: 0.572682126670051
Energy: 0.600721710751133
Energy: 0.4870619394433077
Energy: 0.6007217107525209
Energy: 0.572682126670051
Energy: 0.6007217107525209
Energy: 0.563395995371702
Energy: 0.6010657947613643
Energy: 0.4989751338820028
Energy: 0.6010657947599765
Energy: 0.5633959953710082
Energy: 0.6010657947606705
Energy: 0.5628321310944746
Energy: 0.6052385163715929
Energy: 0.5603750977015565
Energy: 0.6052385163715929
Energy: 0.5628321310937806
Energy: 0.6052385163722869
Energy: 0.505431621451626
Energy: 0.6362692044890923
Energy: 0.7553208570711828
Energy: 0.6362692044883984
Energy: 0.5054316359321485
Energy: 0.6362692044877044
Energy: 0.5338250506102974
Energy: 0.6260582044542414
Energy: 0.6112069818916103
Energy: 0.626058204453579
Energy: 0.5338250506089095
Energy: 0.6260582044542414
Energy: 0.5971151681653217
Energy: 0.6108448896776483
Energy: 0.5169598831109504
Energy: 0.6108448896769544
Energy: 0.5971151681660156
Energy: 0.6108448896769544
Energy: 0.54833996966796
Energy: 0.5957552507156967
Energy: 0.5577738889166904
Energy: 0.5957552507136148
Energy: 0.5483399696651843
Energy: 0.5957552507136148
Energy: 0.4898235323620948
Energy: 0.6358157332899101
Energy: 0.5557404781829731
Energy: 0.6358157332899101
Energy: 0.489823532360013
Energy: 0.635815733290604
Energy: 0.538840053941083
Energy: 0.5939983352082167
Energy: 0.5570298016085354
Energy: 0.5939983352082167
Energy: 0.5388400539396951
Energy: 0.5939983352089105
Energy: 0.5234835263780933
Energy: 0.5930671005168427
Energy: 0.5909296048796733
Energy: 0.5930671005175367
Energy: 0.5234835263787873
Energy: 0.5930671005182306
Energy: 0.7753553051162723
Energy: 0.6064841003454746
Energy: 0.49001247077809423
Energy: 0.6064841003454746
Energy: 0.7753553051162723
Energy: 0.6064841003447807
Energy: 0.775340110493121
Energy: 0.6064751757890666
Energy: 0.5044456597247401
Energy: 0.6064751757883727
Energy: 0.775340110493815
Energy: 0.6064751757876787
Energy: 0.5235819878355683
Energy: 0.5931164210748454
Energy: 0.5906848097699477
Energy: 0.5931164210748454
Energy: 0.523581987829323
Energy: 0.5931164210748454
Energy: 0.5387444242194239
Energy: 0.5940023990149845
Energy: 0.5569701596620212
Energy: 0.5940023990129027
Energy: 0.5387444242221997
Energy: 0.5940023990135966
Energy: 0.48986133919067837
Energy: 0.6359580488298017
Energy: 0.5557409247188686
Energy: 0.6359580488291078
Energy: 0.48986133919067837
Energy: 0.6359580488284139
Energy: 0.5488374997958525
Energy: 0.5957552507143088
Energy: 0.5577187035309253
Energy: 0.5957552507150027
Energy: 0.54883749979519
Energy: 0.5957552507163905
Energy: 0.5970864486462524
Energy: 0.6108736672679375
Energy: 0.5169614143642476
Energy: 0.6108736672672436
Energy: 0.5970864486462524
Energy: 0.6108736672672436
Energy: 0.5335251789188584
Energy: 0.6291845496614455
Energy: 0.585308092961976
Energy: 0.6291845496614455
Energy: 0.5335251789181645
Energy: 0.6291845496621393
Energy: 0.5056331983992101
Energy: 0.5959252714258328
Energy: 0.6602097936368105
Energy: 0.595925271425139
Energy: 0.5056331981710366
Energy: 0.5959252714258328
Energy: 0.5628314195102281
Energy: 0.6052395347408611
Energy: 0.5571244490959005
Energy: 0.605239534740167
Energy: 0.562831419511616
Energy: 0.605239534740167
Energy: 0.5632853283983054
Energy: 0.6080657155479191
Energy: 0.49914442303641665
Energy: 0.6080657155472252
Energy: 0.563285328401775
Energy: 0.6080657155479191
Energy: 0.5728899504872805
Energy: 0.6013263033114397
Energy: 0.4869180217013306
Energy: 0.6013263033107455
Energy: 0.5728899504858926
Energy: 0.6013263033100518
Energy: 0.5721116596943242
Energy: 0.5947901807120989
Energy: 0.5742929765331662
Energy: 0.594790180710017
Energy: 0.5721116596936302
Energy: 0.5947901807114048
Energy: 0.5937770671600233
Energy: 0.610451026683587
Energy: 0.7532005026130097
Energy: 0.610451026684281
Energy: 0.5937770671607172
Energy: 0.610451026684281
Energy: 0.5530279844736381
Energy: 0.6257715857174466
Energy: 0.5449422693577834
Energy: 0.6257715857174466
Energy: 0.5530279844736381
Energy: 0.6257715857181404
Energy: 0.5733823044408982
Energy: 0.5922070003127916
Energy: 0.4765452202935445
Energy: 0.5922070003114038
Energy: 0.5733823044415921
Energy: 0.5922070003114038

minimum gb energy = 0.4765452202935445 eV
minimum distance =  2.26028336033003 Angstroms
sigma value = 51


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

Energy: 0.6777688822646036
Energy: 0.6035376214837149
Energy: 0.51717232364682
Energy: 0.6035376214853228
Energy: 0.6777688822646036
Energy: 0.6035376214837149
Energy: 0.3609995314889383
Energy: 0.6099400041141819
Energy: 0.6768071966799881
Energy: 0.6099400041141819
Energy: 0.36099953148733055
Energy: 0.6099400041141819
Energy: 0.3908309307032607
Energy: 0.6343341132948154
Energy: 0.6917154320722649
Energy: 0.6343341132948154
Energy: 0.3908343800448477
Energy: 0.6343341132948154
Energy: 0.41022404325828804
Energy: 0.6474327028590161
Energy: 0.6777158230876986
Energy: 0.6474327028622316
Energy: 0.41022404325828804
Energy: 0.6474327028622316
Energy: 0.3745796236932642
Energy: 0.5944321669339154
Energy: 0.6332702601928258
Energy: 0.5944321669339154
Energy: 0.37458177947570687
Energy: 0.5944321669339154
Energy: 0.6935564419025225
Energy: 0.6291966873691535
Energy: 0.6387783785409459
Energy: 0.6291966873675457
Energy: 0.6935564419025225
Energy: 0.6291966873675457
Energy: 0.667225121335921
Energy: 0.5917617829345948
Energy: 0.5735782840269663
Energy: 0.5917617829378105
Energy: 0.6672251213327054
Energy: 0.5917617829378105
Energy: 0.4100109893288139
Energy: 0.5964657059575428
Energy: 0.4422284056747268
Energy: 0.5964657059591506
Energy: 0.41001098933042174
Energy: 0.5964657059591506
Energy: 0.6360993838188549
Energy: 0.6709442391656175
Energy: 0.4324313511599056
Energy: 0.670944239170441
Energy: 0.6360993838188549
Energy: 0.6709442391688332
Energy: 0.4127317431241953
Energy: 0.6332482680764276
Energy: 0.44222264580581727
Energy: 0.6332482680764276
Energy: 0.41274916021569136
Energy: 0.6332482680764276
Energy: 0.6817531653071154
Energy: 0.5913078552509181
Energy: 0.7134857952604131
Energy: 0.5913078552493103
Energy: 0.6817531653055076
Energy: 0.5913078552493103
Energy: 0.6798168056594254
Energy: 0.6036131199610709
Energy: 0.6847706893554056
Energy: 0.6036131199626787
Energy: 0.6798168056594254
Energy: 0.6036131199626787
Energy: 0.5231221568134307
Energy: 0.5948975215300278
Energy: 0.6778897625448304
Energy: 0.5948975215268122
Energy: 0.5231221568118228
Energy: 0.5948975215268122
Energy: 0.4130570717987698
Energy: 0.6327132819826028
Energy: 0.6924659118278065
Energy: 0.6327132819809951
Energy: 0.41305516661269137
Energy: 0.6327132819809951
Energy: 0.412285792609636
Energy: 0.6123505420044714
Energy: 0.6780581854299992
Energy: 0.6123505420044714
Energy: 0.4122857926144594
Energy: 0.6123505420092948
Energy: 0.3736637295009397
Energy: 0.593819904350302
Energy: 0.6932635045845572
Energy: 0.5938199043454785
Energy: 0.3736637295009397
Energy: 0.5938199043486941
Energy: 0.6904120721610774
Energy: 0.6488648232247705
Energy: 0.6801677099813084
Energy: 0.6488648232247705
Energy: 0.6904120721594695
Energy: 0.6488648232247705
Energy: 0.6839262938107152
Energy: 0.5900726620684741
Energy: 0.7190633450279474
Energy: 0.5900726620668663
Energy: 0.6839262938107152
Energy: 0.5900726620668663

minimum gb energy = 0.36099953148733055 eV
minimum distance =  2.26639309698326 Angstroms
sigma value = 19


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

Energy: 0.7519405004320916
Energy: 0.6741806457202814
Energy: 0.6092498432224042
Energy: 0.6741806457202814
Energy: 0.7519405004330453
Energy: 0.6741806457202814
Energy: 0.5074754531136132
Energy: 0.6572180374213318
Energy: 0.5829477547524483
Energy: 0.6572180374203781
Energy: 0.5074754531126594
Energy: 0.6572180374213318
Energy: 0.5219608353178676
Energy: 0.6415872991774998
Energy: 0.6540838527686088
Energy: 0.6415872991765461
Energy: 0.5219608353188212
Energy: 0.6415872991765461
Energy: 0.5557249200055399
Energy: 0.6271370231561244
Energy: 0.6152219720610059
Energy: 0.6271370231551707
Energy: 0.5557249200055399
Energy: 0.6271370231561244
Energy: 0.540706489830997
Energy: 0.6407480944922873
Energy: 0.6338993253354523
Energy: 0.6407480944913336
Energy: 0.5407064899873172
Energy: 0.6407480944913336
Energy: 0.6340160332557736
Energy: 0.6408413745122906
Energy: 0.5400393816524721
Energy: 0.6408413745132444
Energy: 0.6340160332595882
Energy: 0.6408413745132444
Energy: 0.6150377301787996
Energy: 0.6272481666954148
Energy: 0.5561187288787496
Energy: 0.6272481666954148
Energy: 0.6150377301768922
Energy: 0.6272481666944612
Energy: 0.6535330152590805
Energy: 0.6416054587114145
Energy: 0.5219704810295962
Energy: 0.6416054587123682
Energy: 0.6535330152600342
Energy: 0.6416054587123682
Energy: 0.5830458940711755
Energy: 0.6421940172464417
Energy: 0.5074749064565365
Energy: 0.6421940172464417
Energy: 0.5830458940730828
Energy: 0.6421940172473952
Energy: 0.6092498432214506
Energy: 0.6741806457193276
Energy: 0.7519405004320916
Energy: 0.6741806457193276
Energy: 0.6092498432224042
Energy: 0.6741806457202814
Energy: 0.5829477547514946
Energy: 0.6572180374213318
Energy: 0.5074754531136132
Energy: 0.6572180374213318
Energy: 0.5829477547514946
Energy: 0.6572180374213318
Energy: 0.654083852767655
Energy: 0.6415872991784536
Energy: 0.5219608353178676
Energy: 0.6415872991784536
Energy: 0.6540838527667012
Energy: 0.6415872991784536
Energy: 0.6152219720619597
Energy: 0.6271370231551707
Energy: 0.5557249200064937
Energy: 0.6271370231561244
Energy: 0.6152219720638671
Energy: 0.6271370231561244
Energy: 0.6338993253344986
Energy: 0.6407480944884725
Energy: 0.5407064897089666
Energy: 0.6407480944903798
Energy: 0.6338993253373596
Energy: 0.6407480944903798
Energy: 0.540039383885043
Energy: 0.640841374511337
Energy: 0.6340160332586348
Energy: 0.6408413745141982
Energy: 0.5400394112965587
Energy: 0.6408413745141982
Energy: 0.5561187288787496
Energy: 0.6272481666935075
Energy: 0.6150377301768922
Energy: 0.6272481666925537
Energy: 0.5561187288797032
Energy: 0.6272481666925537
Energy: 0.5219704810305499
Energy: 0.6416054587114145
Energy: 0.6535330152609878
Energy: 0.6416054587114145
Energy: 0.5219704810305499
Energy: 0.6416054587114145
Energy: 0.5074749064565365
Energy: 0.6421940172454879
Energy: 0.5830458940721291
Energy: 0.6421940172464417
Energy: 0.5074749064555828
Energy: 0.6421940172464417
Energy: 0.7519405004320916
Energy: 0.674180645721235
Energy: 0.6092498432224042
Energy: 0.6741806457202814
Energy: 0.7519405004330453
Energy: 0.6741806457202814
Energy: 0.5074754531136132
Energy: 0.6572180374213318
Energy: 0.5829477547524483
Energy: 0.6572180374213318
Energy: 0.5074754531145669
Energy: 0.6572180374213318
Energy: 0.5219608353178676
Energy: 0.6415872991765461
Energy: 0.6540838527695624
Energy: 0.6415872991765461
Energy: 0.5219608353169138
Energy: 0.6415872991774998
Energy: 0.5557249200045863
Energy: 0.6271370231551707
Energy: 0.6152219720619597
Energy: 0.6271370231570782
Energy: 0.5557249200064937
Energy: 0.6271370231561244
Energy: 0.5407064896450902
Energy: 0.6407480944913336
Energy: 0.633899325331659
Energy: 0.6407480944913336
Energy: 0.540706489759491
Energy: 0.6407480944913336
Energy: 0.6340160332595882
Energy: 0.640841374511337
Energy: 0.540039382630536
Energy: 0.6408413745122906
Energy: 0.6340160332624494
Energy: 0.6408413745122906
Energy: 0.615037730177846
Energy: 0.6272481666944612
Energy: 0.5561187288787496
Energy: 0.6272481666954148
Energy: 0.615037730177846
Energy: 0.6272481666954148
Energy: 0.6535330152600342
Energy: 0.6416054587123682
Energy: 0.5219704810286425
Energy: 0.6416054587114145
Energy: 0.6535330152600342
Energy: 0.6416054587114145
Energy: 0.5830458940721291
Energy: 0.6421940172454879
Energy: 0.5074749064574902
Energy: 0.6421940172473952
Energy: 0.5830458940711755
Energy: 0.6421940172445342
Energy: 0.6092498432214506
Energy: 0.6741806457193276
Energy: 0.7519405004311379
Energy: 0.6741806457202814
Energy: 0.6092498432224042
Energy: 0.6741806457202814
Energy: 0.5829477547524483
Energy: 0.6572180374213318
Energy: 0.5074754531145669
Energy: 0.6572180374203781
Energy: 0.5829477547524483
Energy: 0.6572180374203781
Energy: 0.654083852767655
Energy: 0.6415872991774998
Energy: 0.5219608353197749
Energy: 0.6415872991784536
Energy: 0.654083852767655
Energy: 0.6415872991774998

minimum gb energy = 0.5074749064555828 eV
minimum distance =  2.23951625181331 Angstroms
sigma value = 27


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

Energy: 0.6142376508978353
Energy: 0.650223588634208
Energy: 0.6878746690089796
Energy: 0.65022358863304
Energy: 0.6142376508990034
Energy: 0.650223588633279
Energy: 0.5833476476029785
Energy: 0.6775867158849632
Energy: 0.6351889211909414
Energy: 0.6775867158837952
Energy: 0.5833476476027395
Energy: 0.6775867158828394
Energy: 0.6298521386411592
Energy: 0.7023803164726062
Energy: 0.6291262199096114
Energy: 0.7023803164711993
Energy: 0.62985213864023
Energy: 0.702380316473323
Energy: 0.6242313794881895
Energy: 0.6279312939249618
Energy: 0.6875880487105015
Energy: 0.627931293927059
Energy: 0.6242313794886674
Energy: 0.6279312939266077
Energy: 0.6396740357757744
Energy: 0.6332351289311633
Energy: 0.7675492079133432
Energy: 0.6332351289332604
Energy: 0.6396740357785884
Energy: 0.6332351289332604
Energy: 0.6461638081510198
Energy: 0.7125270091891467
Energy: 0.6338455112350798
Energy: 0.7125270091895979
Energy: 0.6461638081505685
Energy: 0.7125270091893855
Energy: 0.6056838737831218
Energy: 0.6584814596258064
Energy: 0.6284410100291604
Energy: 0.6584814596255675
Energy: 0.6056838737840509
Energy: 0.6584814596248773
Energy: 0.6152710501334417
Energy: 0.6592874819143599
Energy: 0.6240652659230901
Energy: 0.6592874819145988
Energy: 0.6152710501355388
Energy: 0.6592874819162448
Energy: 0.7361355309726826
Energy: 0.5986048512740301
Energy: 0.7132304330735642
Energy: 0.5986048512749591
Energy: 0.7361355309726826
Energy: 0.598604851275198
Energy: 0.6434125560192795
Energy: 0.6918944595063681
Energy: 0.6303192021082963
Energy: 0.6918944595052001
Energy: 0.6434125560197309
Energy: 0.6918944595056513
Energy: 0.722737987843412
Energy: 0.6276108871202347
Energy: 0.597080560066214
Energy: 0.6276108871209515
Energy: 0.7227379878450579
Energy: 0.6276108871204735
Energy: 0.7053141250788709
Energy: 0.6321836090992351
Energy: 0.6002264066942457
Energy: 0.6321836090999517
Energy: 0.7053141250777029
Energy: 0.6321836091001908

minimum gb energy = 0.5833476476027395 eV
minimum distance =  2.2622058848504 Angstroms
sigma value = 9


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

Energy: 0.7920529577440927
Energy: 0.6344629077911851
Energy: 0.6809318448279803
Energy: 0.6344629077931543
Energy: 0.7920529577440927
Energy: 0.6344629077924979
Energy: 0.617238638543274
Energy: 0.6613648955621418
Energy: 0.6245796872213354
Energy: 0.6613648955621418
Energy: 0.6172386385439305
Energy: 0.6613648955634547
Energy: 0.6711556655035557
Energy: 0.6805764596494783
Energy: 0.6388901081202675
Energy: 0.6805764596488219
Energy: 0.6711556654996175
Energy: 0.6805764596488219
Energy: 0.6402696941204922
Energy: 0.6712407798925673
Energy: 0.617587841977767
Energy: 0.6712407798932236
Energy: 0.6402696941218049
Energy: 0.6712407798925673
Energy: 0.618662761699202
Energy: 0.680955279192795
Energy: 0.6320285983133744
Energy: 0.6809552791934513
Energy: 0.618662428812563
Energy: 0.6809552791934513
Energy: 0.6425985638733384
Energy: 0.6656648566372964
Energy: 0.6030388578648291
Energy: 0.6656648566366399
Energy: 0.6425985638753073
Energy: 0.6656648566366399
Energy: 0.5638585690041708
Energy: 0.6232169168860111
Energy: 0.62337516956251
Energy: 0.6232169168866675
Energy: 0.5751135326712838
Energy: 0.623216916887324
Energy: 0.7180653548487846
Energy: 0.6390676509301298
Energy: 0.64240143160811
Energy: 0.6390676509301298
Energy: 0.7180653548487846
Energy: 0.6390676509288171
Energy: 0.6627249744090843
Energy: 0.5637057976643406
Energy: 0.6705838603932055
Energy: 0.5637057976656533
Energy: 0.6627249744090843
Energy: 0.5637057976656533
Energy: 0.7243090312459036
Energy: 0.6677179755193735
Energy: 0.6123038830645061
Energy: 0.6677179755200299
Energy: 0.7243090312459036
Energy: 0.6677179755193735
Energy: 0.6728735737722001
Energy: 0.6600785594855982
Energy: 0.6348044222638065
Energy: 0.6600785594855982
Energy: 0.6728735737754822
Energy: 0.6600785594855982
Energy: 0.6319894893227339
Energy: 0.615586416804362
Energy: 0.6594378434543335
Energy: 0.6155864168063312
Energy: 0.6319894893214211
Energy: 0.6155864168050185
Energy: 0.6489708336047184
Energy: 0.702745217304822
Energy: 0.6725838142475989
Energy: 0.7027452173041655
Energy: 0.648970833604062
Energy: 0.7027452173041655
Energy: 0.6447229162601482
Energy: 0.6703010835059701
Energy: 0.6451387026219852
Energy: 0.6703010835072828
Energy: 0.6447229162030729
Energy: 0.6703010835066264
Energy: 0.670240037111989
Energy: 0.642915608304976
Energy: 0.620599790688295
Energy: 0.642915608304976
Energy: 0.6702400371146146
Energy: 0.642915608304976
Energy: 0.6016516617821116
Energy: 0.6476725382389238
Energy: 0.6641273218867971
Energy: 0.6476725382376111
Energy: 0.601651661782768
Energy: 0.6476725382376111
Energy: 0.7162091997525487
Energy: 0.6743827392413109
Energy: 0.6191236714886598
Energy: 0.6743827392419672
Energy: 0.7162091997499233
Energy: 0.6743827392426236
Energy: 0.6011682494228854
Energy: 0.6171696769999326
Energy: 0.6426778196749502
Energy: 0.6171696769992763
Energy: 0.6011682494241982
Energy: 0.6171696769992763
Energy: 0.7326488613129479
Energy: 0.6257732075339446
Energy: 0.6304306039378422
Energy: 0.6257732075326318
Energy: 0.7326488613148873
Energy: 0.6257732075332882
Energy: 0.6083552768593367
Energy: 0.653646802271175
Energy: 0.6079422716303744
Energy: 0.6536468022724877
Energy: 0.6083552768573676
Energy: 0.6536468022718314
Energy: 0.6310598838793592
Energy: 0.6304610483869691
Energy: 0.7326030285287836
Energy: 0.6304610483889382
Energy: 0.6310598838832976
Energy: 0.6304610483895946
Energy: 0.6426413649030462
Energy: 0.6161467511477005
Energy: 0.6012179878336351
Energy: 0.6161467511431058
Energy: 0.6426413649030462
Energy: 0.6161467511463877
Energy: 0.6191177545195612
Energy: 0.6742220954292506
Energy: 0.7164523180809507
Energy: 0.6742220954299069
Energy: 0.6191177544526401
Energy: 0.6742220954299069
Energy: 0.6639541595202914
Energy: 0.6476712551767788
Energy: 0.6014938341659044
Energy: 0.647671255178748
Energy: 0.6639541595202914
Energy: 0.6476712551774353
Energy: 0.6205207651712492
Energy: 0.6429183553823596
Energy: 0.6702215797996912
Energy: 0.6429183553817033
Energy: 0.6205207651712492
Energy: 0.6429183553843288
Energy: 0.6454882432819523
Energy: 0.663739764222247
Energy: 0.6446060836639322
Energy: 0.6637397642242162
Energy: 0.645488243249163
Energy: 0.6637397642235598
Energy: 0.672471801758191
Energy: 0.7029790368334262
Energy: 0.6488846702918668
Energy: 0.7029790368327699
Energy: 0.6724718017562219
Energy: 0.7029790368327699
Energy: 0.6733184079679864
Energy: 0.6155905633172781
Energy: 0.6318877470928342
Energy: 0.6155905633179345
Energy: 0.6733184079679864
Energy: 0.6155905633179345
Energy: 0.6347274839779373
Energy: 0.6600935557586723
Energy: 0.6981616285875148
Energy: 0.6600935557586723
Energy: 0.6347274839785937
Energy: 0.6600935557586723
Energy: 0.6122050883338848
Energy: 0.6452278962096588
Energy: 0.7240874294672439
Energy: 0.6452278962103152
Energy: 0.6122050883365103
Energy: 0.6452278962096588
Energy: 0.666322941820584
Energy: 0.5637057976715608
Energy: 0.6626297657383713
Energy: 0.563705797670248
Energy: 0.6663229418212405
Energy: 0.563705797670248
Energy: 0.64181601771654
Energy: 0.651145540591675
Energy: 0.7179939732595019
Energy: 0.651145540591675
Energy: 0.6418160177178527
Energy: 0.651145540591675
Energy: 0.6232887693353345
Energy: 0.623162113842782
Energy: 0.6219523559905029
Energy: 0.6231621138401564
Energy: 0.6232887693353345
Energy: 0.6231621138414692
Energy: 0.6029366714379064
Energy: 0.6477031265327604
Energy: 0.6426121361422286
Energy: 0.6477031265327604
Energy: 0.6029366714385628
Energy: 0.6477031265327604
Energy: 0.6111674999615824
Energy: 0.6809496331281419
Energy: 0.6186007570822614
Energy: 0.6809496331261728
Energy: 0.611167499966177
Energy: 0.6809496331268293
Energy: 0.617528411313547
Energy: 0.6711015849374118
Energy: 0.6402308067558425
Energy: 0.6711015849380683
Energy: 0.6175284113128906
Energy: 0.6711015849374118
Energy: 0.6364668665399349
Energy: 0.6804075806682388
Energy: 0.670209340494665
Energy: 0.6804075806662696
Energy: 0.6364668665432167
Energy: 0.6804075806656131
Energy: 0.6240962755480582
Energy: 0.6329313599603673
Energy: 0.617539791050085
Energy: 0.6329313599570855
Energy: 0.624096275546089
Energy: 0.6329313599577419
Energy: 0.6314741095811491
Energy: 0.6344629077911851
Energy: 0.7920529577414671
Energy: 0.6344629077964361
Energy: 0.6314741095811491
Energy: 0.6344629077970925
Energy: 0.624579687220679
Energy: 0.6613648955627982
Energy: 0.6172386385445868
Energy: 0.6613648955614855
Energy: 0.624579687222648
Energy: 0.6613648955614855
Energy: 0.6388901081176418
Energy: 0.6805764596514474
Energy: 0.671155665504212
Energy: 0.680576459650791
Energy: 0.6388901081182983
Energy: 0.6805764596514474
Energy: 0.6175878419725159
Energy: 0.6712407798912544
Energy: 0.6402696941231176
Energy: 0.6712407798905982
Energy: 0.617587841974485
Energy: 0.6712407798912544
Energy: 0.6176607247367688
Energy: 0.6809552791941078
Energy: 0.6186625860132167
Energy: 0.6809552791914824
Energy: 0.6176607247380815
Energy: 0.6809552791914824

minimum gb energy = 0.5637057976643406 eV
minimum distance =  2.22396029990124 Angstroms
sigma value = 57


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

Energy: 0.6624480866103538
Energy: 0.5845206377349452
Energy: 0.6032968365965425
Energy: 0.5845206377349452
Energy: 0.662448086611848
Energy: 0.5845206377349452
Energy: 0.6945461532927791
Energy: 0.6251627641569792
Energy: 0.5687931246526553
Energy: 0.6251627641569792
Energy: 0.6945461532927791
Energy: 0.6251627641584735
Energy: 0.5990340383446712
Energy: 0.6167648686920679
Energy: 0.5712576543159391
Energy: 0.6167648686905737
Energy: 0.599034038343177
Energy: 0.6167648686920679
Energy: 0.5641199776359248
Energy: 0.571095859285463
Energy: 0.6097153094290841
Energy: 0.571095859285463
Energy: 0.5641199776329365
Energy: 0.5710958592869573
Energy: 0.5622184911557817
Energy: 0.61301780677566
Energy: 0.6097372344112617
Energy: 0.6130178067741658
Energy: 0.5622184911184617
Energy: 0.6130178067741658
Energy: 0.6963060891138204
Energy: 0.5999368958680242
Energy: 0.63010391465591
Energy: 0.5999368958680242
Energy: 0.6963060891138204
Energy: 0.5999368958680242
Energy: 0.6978033887935983
Energy: 0.5998151661571968
Energy: 0.6300961557338802
Energy: 0.5998151661557025
Energy: 0.6978033887921039
Energy: 0.5998151661557025
Energy: 0.5619529651951313
Energy: 0.6044570455172525
Energy: 0.6093685912514466
Energy: 0.6044570455172525
Energy: 0.5619529557382712
Energy: 0.6044570455172525
Energy: 0.5631398107151542
Energy: 0.5711184416895577
Energy: 0.6097697563252815
Energy: 0.5711184416910519
Energy: 0.5631398107166484
Energy: 0.5711184416910519
Energy: 0.5990469304664676
Energy: 0.6177505597957396
Energy: 0.5713155930712894
Energy: 0.6177505597957396
Energy: 0.5990469304664676
Energy: 0.6177505597942454
Energy: 0.6945408870073148
Energy: 0.6251627641569792
Energy: 0.5687349840628482
Energy: 0.6251627641569792
Energy: 0.6945408870073148
Energy: 0.6251627641569792
Energy: 0.6624480866103538
Energy: 0.5845206377349452
Energy: 0.6032968365980367
Energy: 0.5845206377349452
Energy: 0.6624480866103538
Energy: 0.5845206377349452
Energy: 0.6945461532942734
Energy: 0.6251627641569792
Energy: 0.568793124651161
Energy: 0.6251627641569792
Energy: 0.6945461532927791
Energy: 0.6251627641584735
Energy: 0.5990340383446712
Energy: 0.6167648686905737
Energy: 0.5712576543159391
Energy: 0.6167648686920679
Energy: 0.599034038343177
Energy: 0.6167648686920679
Energy: 0.5641199776359248
Energy: 0.571095859285463
Energy: 0.6097153094335667
Energy: 0.5710958592869573
Energy: 0.5641199776314424
Energy: 0.571095859285463
Energy: 0.5622184910766252
Energy: 0.6130178067741658
Energy: 0.6097372344097677
Energy: 0.6130178067741658
Energy: 0.5622184911124851
Energy: 0.6130178067741658
Energy: 0.6963060891153146
Energy: 0.5999368958680242
Energy: 0.6301039146574041
Energy: 0.5999368958665301
Energy: 0.6963060891138204
Energy: 0.5999368958680242
Energy: 0.6978033887950923
Energy: 0.5998151661557025
Energy: 0.6300961557338802
Energy: 0.5998151661571968
Energy: 0.6978033887935983
Energy: 0.5998151661571968
Energy: 0.5619529687690661
Energy: 0.6044570455217351
Energy: 0.6093685912484583
Energy: 0.6044570455172525
Energy: 0.5619529560220602
Energy: 0.6044570455202409

minimum gb energy = 0.5619529557382712 eV
minimum distance =  2.26272290882241 Angstroms
sigma value = 11


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

Energy: 0.6689033764668972
Energy: 0.5921062700799014
Energy: 0.6139901929427709
Energy: 0.5921062700820904
Energy: 0.6689033764636138
Energy: 0.5921062700755233
Energy: 0.6775845428377278
Energy: 0.6038914516136424
Energy: 0.624476932817827
Energy: 0.6038914516136424
Energy: 0.6775845428333498
Energy: 0.6038914516125479
Energy: 0.64518282262412
Energy: 0.5701289493834624
Energy: 0.6040159982490301
Energy: 0.5701289493823679
Energy: 0.6451828226252145
Energy: 0.5701289493834624
Energy: 0.613679755358508
Energy: 0.5815943122363766
Energy: 0.6139157190009749
Energy: 0.5815943122363766
Energy: 0.613679755360697
Energy: 0.5815943122352821
Energy: 0.6030194378983824
Energy: 0.5973841284097785
Energy: 0.6037609881410204
Energy: 0.5973841284075895
Energy: 0.6030194379016659
Energy: 0.5973841284097785
Energy: 0.576230834486311
Energy: 0.5957618860366019
Energy: 0.6310043855850759
Energy: 0.5957618860376963
Energy: 0.5762308344852165
Energy: 0.5957618860376963
Energy: 0.5685527310190656
Energy: 0.5985812336079601
Energy: 0.6278736998021477
Energy: 0.5985812336057711
Energy: 0.5685527310234435
Energy: 0.5985812336057711
Energy: 0.6601033006056478
Energy: 0.5966836839387517
Energy: 0.6537432236959719
Energy: 0.5966836839420353
Energy: 0.6601033006045534
Energy: 0.5966836839409407
Energy: 0.6608889391492871
Energy: 0.5885523882271028
Energy: 0.6757264348628517
Energy: 0.5885523882271028
Energy: 0.6608889391449091
Energy: 0.5885523882271028
Energy: 0.5820144621013177
Energy: 0.6146154747144948
Energy: 0.61824915626805
Energy: 0.6146154747177784
Energy: 0.5820144620071902
Energy: 0.6146154747144948
Energy: 0.577499642724814
Energy: 0.5973867557194301
Energy: 0.6041816424436196
Energy: 0.5973867557194301
Energy: 0.5774996427237196
Energy: 0.5973867557205246
Energy: 0.6058100798705068
Energy: 0.6041873221255302
Energy: 0.5943870971219691
Energy: 0.6041873221244356
Energy: 0.6058100798716013
Energy: 0.6041873221244356
Energy: 0.6289071597206601
Energy: 0.5822422096701085
Energy: 0.6070560641200602
Energy: 0.5822422096690142
Energy: 0.6289071597129986
Energy: 0.5822422096690142
Energy: 0.6474996903239536
Energy: 0.6068891923965202
Energy: 0.5956194179996217
Energy: 0.6068891923932367
Energy: 0.6474996903239536
Energy: 0.6068891923932367
Energy: 0.677273619632813
Energy: 0.6028277440056329
Energy: 0.606214234254582
Energy: 0.6028277440056329
Energy: 0.677273619632813
Energy: 0.6028277440056329
Energy: 0.6716028484069202
Energy: 0.6295879318322045
Energy: 0.6067216968415833
Energy: 0.6295879318322045
Energy: 0.6716028484102037
Energy: 0.6295879318322045
Energy: 0.8205020663071683
Energy: 0.6037949823114109
Energy: 0.5984450003146289
Energy: 0.6037949823103165
Energy: 0.8205020663093574
Energy: 0.6037949823103165
Energy: 0.6475300241091027
Energy: 0.6149754891011237
Energy: 0.5977482292249309
Energy: 0.6149754891022181
Energy: 0.6475300241091027
Energy: 0.6149754891011237
Energy: 0.6157507363650501
Energy: 0.54867853003144
Energy: 0.6158851007280155
Energy: 0.5486785300303455
Energy: 0.6157507363650501
Energy: 0.5486785300303455
Energy: 0.621673834802293
Energy: 0.5981492935429346
Energy: 0.6241622996539161
Energy: 0.5981492935429346
Energy: 0.6216738348011984
Energy: 0.5981492935429346
Energy: 0.6219350079976392
Energy: 0.5890258624428422
Energy: 0.6189183921805892
Energy: 0.5890258624406531
Energy: 0.6218720235603349
Energy: 0.5890258624395586
Energy: 0.603816871163451
Energy: 0.6084384496573249
Energy: 0.622571409137474
Energy: 0.6084384496573249
Energy: 0.603816871163451
Energy: 0.6084384496573249
Energy: 0.6660796322030722
Energy: 0.5930882578021248
Energy: 0.6572209025540341
Energy: 0.5930882578032194
Energy: 0.6660796322019777
Energy: 0.5930882578032194
Energy: 0.5992192188762544
Energy: 0.586312902539467
Energy: 0.7022721656922793
Energy: 0.5863129025361834
Energy: 0.5992192188762544
Energy: 0.5863129025405613
Energy: 0.6009864289075283
Energy: 0.6166893843760686
Energy: 0.6500884232294627
Energy: 0.6166893843760686
Energy: 0.6009864289064337
Energy: 0.6166893843782575
Energy: 0.6124110956798299
Energy: 0.5906727657324934
Energy: 0.6022057632924861
Energy: 0.5906727657357769
Energy: 0.6124110956798299
Energy: 0.5906727657335878

minimum gb energy = 0.5486785300303455 eV
minimum distance =  2.27297000005515 Angstroms
sigma value = 41


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

Energy: 0.6925619935071569
Energy: 0.6379553093433652
Energy: 0.5959411551486782
Energy: 0.637955309344228
Energy: 0.6925619935054314
Energy: 0.637955309344228
Energy: 0.6803305413351571
Energy: 0.5468533772431459
Energy: 0.5931043209938262
Energy: 0.5468533772440084
Energy: 0.6803305408703819
Energy: 0.546853377244871
Energy: 0.6309680761337013
Energy: 0.5705947238821765
Energy: 0.5947543518585526
Energy: 0.5705947238821765
Energy: 0.6309680761328385
Energy: 0.5705947238839018
Energy: 0.6419345075800806
Energy: 0.5419487045443038
Energy: 0.5831317725357446
Energy: 0.5419487045339519
Energy: 0.6419345075757674
Energy: 0.5419487045528913
Energy: 0.606575247331513
Energy: 0.5737035777982274
Energy: 0.5760228531490139
Energy: 0.5737035777999528
Energy: 0.606575247331513
Energy: 0.5737035777999528
Energy: 0.5906576824912476
Energy: 0.5728764815921493
Energy: 0.5749594873552322
Energy: 0.5728764815912865
Energy: 0.5692720457142121
Energy: 0.5728764815895613
Energy: 0.5900603569226343
Energy: 0.5485022864191915
Energy: 0.5738873022860731
Energy: 0.5485022864191915
Energy: 0.5900603569191836
Energy: 0.5485022864191915
Energy: 0.6171558241553857
Energy: 0.562687960222864
Energy: 0.6068279779212741
Energy: 0.5626879602245892
Energy: 0.6171558203933076
Energy: 0.5626879602220014
Energy: 0.5650601877051679
Energy: 0.5872513504459632
Energy: 0.6338638080434394
Energy: 0.5872513504468259
Energy: 0.565060187712069
Energy: 0.5872513504476885
Energy: 0.5684553051205469
Energy: 0.5394871521102506
Energy: 0.6644698358360951
Energy: 0.5394871521067999
Energy: 0.570040117388158
Energy: 0.5394871521111133
Energy: 0.6377288530073946
Energy: 0.5431448072472913
Energy: 0.6638976454831073
Energy: 0.5431448072472913
Energy: 0.6377288530082572
Energy: 0.5431448072481148
Energy: 0.5707474571649327
Energy: 0.5674684473260645
Energy: 0.6234735057262453
Energy: 0.5674684473260645
Energy: 0.5707474571657952
Energy: 0.5674684473260645
Energy: 0.5661743341250595
Energy: 0.5337409810663126
Energy: 0.6339763811793014
Energy: 0.5337409810671752
Energy: 0.5661743341250595
Energy: 0.5337409810671752
Energy: 0.5785649553617018
Energy: 0.551846088195524
Energy: 0.5819444723671356
Energy: 0.5518460881946612
Energy: 0.5785649553625646
Energy: 0.551846088195524
Energy: 0.6402665021802351
Energy: 0.571535144463675
Energy: 0.5742625627391686
Energy: 0.571535144461989
Energy: 0.6402665021802351
Energy: 0.571535144461989
Energy: 0.6075360307157902
Energy: 0.5624465010811207
Energy: 0.5814350231657294
Energy: 0.5624465010819832
Energy: 0.6075360307140649
Energy: 0.5624465010819832
Energy: 0.6534537907141141
Energy: 0.5605894370304348
Energy: 0.5747508009974438
Energy: 0.5605894370304348
Energy: 0.6534537907175648
Energy: 0.5605894370295722
Energy: 0.6473687753625582
Energy: 0.5576753035820404
Energy: 0.5895109649442086
Energy: 0.5576753035820404
Energy: 0.6473687753608328
Energy: 0.5576753035820404
Energy: 0.7690439231859681
Energy: 0.5461955905522536
Energy: 0.5768854892446011
Energy: 0.5461955905539788
Energy: 0.7690439231885562
Energy: 0.5461955905513908
Energy: 0.6471589331386348
Energy: 0.5599523093924775
Energy: 0.6124077100941129
Energy: 0.5599523093924775
Energy: 0.6471589401653135
Energy: 0.5599523093916149
Energy: 0.5805314650620134
Energy: 0.5452474559954149
Energy: 0.5868544307652824
Energy: 0.5452474559971403
Energy: 0.5787306229868199
Energy: 0.5452474559971403
Energy: 0.647261070351167
Energy: 0.5676967272723205
Energy: 0.5879701629565435
Energy: 0.5676967272731832
Energy: 0.6472610703503043
Energy: 0.5676967272740459
Energy: 0.6694591165494647
Energy: 0.5409141053690742
Energy: 0.5970593060374048
Energy: 0.5409141053690742
Energy: 0.6694591165468767
Energy: 0.5409141053682115
Energy: 0.607680977345219
Energy: 0.5505491738483591
Energy: 0.584471286198232
Energy: 0.5505491738449084
Energy: 0.6076809773460816
Energy: 0.5505491738474962
Energy: 0.5846238779373999
Energy: 0.5574072755253218
Energy: 0.5922753825909699
Energy: 0.557407275527047
Energy: 0.5846238779331258
Energy: 0.557407275527047
Energy: 0.5792201362886812
Energy: 0.5629715093705863
Energy: 0.584900286819506
Energy: 0.5629715093697237
Energy: 0.5792201362904064
Energy: 0.5629715093697237
Energy: 0.6302565703825854
Energy: 0.5703563385387402
Energy: 0.6264191886493771
Energy: 0.5703563385378776
Energy: 0.6302565703843109
Energy: 0.5703563385378776
Energy: 0.5745227834975369
Energy: 0.5613973287180097
Energy: 0.6166487631101213
Energy: 0.5613973287188724
Energy: 0.5745227834983997
Energy: 0.5613973287188724
Energy: 0.5785347185213742
Energy: 0.5586707225988574
Energy: 0.6645477522508721
Energy: 0.5586707225979948
Energy: 0.5785347522853425
Energy: 0.55867072259972
Energy: 0.5790981288792404
Energy: 0.5747869779863389
Energy: 0.6731300888320345
Energy: 0.5747869779863389
Energy: 0.5790981288792404
Energy: 0.5747869779863389
Energy: 0.5752285944520216
Energy: 0.5706840689628069
Energy: 0.6266882144565283
Energy: 0.5706840689628069
Energy: 0.5752285944511588
Energy: 0.5706840689636694
Energy: 0.572426468265301
Energy: 0.5479448366276846
Energy: 0.634852416904049
Energy: 0.5479448366285472
Energy: 0.5724264682618504
Energy: 0.5479448366285472
Energy: 0.5766113151823178
Energy: 0.5731796727694823
Energy: 0.5932732607268397
Energy: 0.5731796727694823
Energy: 0.5766113151797299
Energy: 0.5731796727694823

minimum gb energy = 0.5337409810663126 eV
minimum distance =  2.27501152153751 Angstroms
sigma value = 33


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

Energy: 0.7321212655556125
Energy: 0.5414455830815416
Energy: 0.5829801576774527
Energy: 0.5414455830803309
Energy: 0.7321212655507692
Energy: 0.54144558307912
Energy: 0.6568806313348107
Energy: 0.5092554300869019
Energy: 0.5249447012675794
Energy: 0.5092554300862965
Energy: 0.634265271985487
Energy: 0.5092554300862965
Energy: 0.645448223645033
Energy: 0.5819229993516145
Energy: 0.5821646511297084
Energy: 0.5819229993497982
Energy: 0.645448223640795
Energy: 0.5819229993504036
Energy: 0.5958680032093879
Energy: 0.49805321707198486
Energy: 0.5523889231214804
Energy: 0.49805321707259026
Energy: 0.5958474270816038
Energy: 0.49805321707259026
Energy: 0.6471667894475477
Energy: 0.5419923951220648
Energy: 0.5457629945616355
Energy: 0.5419923951220648
Energy: 0.6471667894463369
Energy: 0.5419923951232756
Energy: 0.668663181224372
Energy: 0.5169208432037155
Energy: 0.5560472541032041
Energy: 0.516920843200083
Energy: 0.6686631812987835
Energy: 0.5169208432006883
Energy: 0.5887063190576208
Energy: 0.5235143323112386
Energy: 0.5516242945737546
Energy: 0.5235143323112386
Energy: 0.5887063190612533
Energy: 0.5235143323112386
Energy: 0.6165119988469302
Energy: 0.5401671844084208
Energy: 0.5570848133124358
Energy: 0.540167184410237
Energy: 0.6165119990260796
Energy: 0.5401671844078154
Energy: 0.5771297732466782
Energy: 0.5358543759158408
Energy: 0.587040744369364
Energy: 0.5358543759140245
Energy: 0.5771297732424404
Energy: 0.53585437591463
Energy: 0.5706420748077172
Energy: 0.558551939576483
Energy: 0.6325912299120466
Energy: 0.5585519395801155
Energy: 0.5706420748052955
Energy: 0.5585519395807208
Energy: 0.5658503460787845
Energy: 0.5275367716996497
Energy: 0.593822250919611
Energy: 0.5275367717008606
Energy: 0.5658503460775737
Energy: 0.5275367717002551
Energy: 0.5575637307267607
Energy: 0.5544636876242859
Energy: 0.6264805596830834
Energy: 0.5544636876248914
Energy: 0.557664977005806
Energy: 0.5544636876261021
Energy: 0.5757519249702985
Energy: 0.5551935962955399
Energy: 0.724827494531845
Energy: 0.5551935962973561
Energy: 0.5757519249672712
Energy: 0.5551935962973561
Energy: 0.574399861952591
Energy: 0.5417751442408879
Energy: 0.6914962061999401
Energy: 0.541775144239732
Energy: 0.5743998619477476
Energy: 0.541775144239732
Energy: 0.5996487770399055
Energy: 0.5188760652631718
Energy: 0.6965704103203562
Energy: 0.5188760652625665
Energy: 0.5996487770393
Energy: 0.5188760652631718
Energy: 0.5671285911607021
Energy: 0.5359357462834992
Energy: 0.6526380407891731
Energy: 0.5359357462822885
Energy: 0.5671285911673617
Energy: 0.5359357462822885
Energy: 0.5894685824218452
Energy: 0.529007349293698
Energy: 0.7248215838995282
Energy: 0.5290073492955142
Energy: 0.5894685824254777
Energy: 0.5290073492955142
Energy: 0.5612634652447278
Energy: 0.5349181368833859
Energy: 0.5975049400076061
Energy: 0.5349181368827804
Energy: 0.5612634652453332
Energy: 0.534918136882175
Energy: 0.573094924883757
Energy: 0.5168709086808803
Energy: 0.6217715037980867
Energy: 0.516870908679064
Energy: 0.5730949248831515
Energy: 0.5168709086808803
Energy: 0.5751949413393912
Energy: 0.545278878589092
Energy: 0.5548195867001786
Energy: 0.5452788785915137
Energy: 0.5751949413393912
Energy: 0.5452788785915137
Energy: 0.5894157566160342
Energy: 0.5433496308124327
Energy: 0.6089910092297617
Energy: 0.5433496308112219
Energy: 0.5894157566124018
Energy: 0.5433496308118272
Energy: 0.5961796867610022
Energy: 0.5399996515324559
Energy: 0.5481656710323874
Energy: 0.5399996515318506
Energy: 0.5961796867555536
Energy: 0.5399996515312451
Energy: 0.7120369277861285
Energy: 0.5167027434736583
Energy: 0.5343598585057083
Energy: 0.5167027434736583
Energy: 0.7120369277849177
Energy: 0.5167027434730528
Energy: 0.5821136334688707
Energy: 0.5240856097231575
Energy: 0.5638860543173546
Energy: 0.5240856097286064
Energy: 0.5821136334779519
Energy: 0.5240856097231575
Energy: 0.7214439942858308
Energy: 0.5141361052659292
Energy: 0.5838770574199967
Energy: 0.5141361052653238
Energy: 0.7214439942834091
Energy: 0.5141361052659292
Energy: 0.6176419120721512
Energy: 0.5611211298808485
Energy: 0.5573084932073995
Energy: 0.5611211298820594
Energy: 0.6176419124274227
Energy: 0.5611211298808485
Energy: 0.6443274038893642
Energy: 0.5359048222397259
Energy: 0.5509536950834765
Energy: 0.5359048222421476
Energy: 0.6521281098701966
Energy: 0.5359048222397259
Energy: 0.6147277109117758
Energy: 0.5499439146688345
Energy: 0.5736492400963149
Energy: 0.5499439146688345
Energy: 0.6147277107139136
Energy: 0.5499439146682291
Energy: 0.709085312883698
Energy: 0.5180208423449486
Energy: 0.6071747895182784
Energy: 0.518020842345554
Energy: 0.7090853128861198
Energy: 0.5180208423467648
Energy: 0.6183856312638021
Energy: 0.5518775420214117
Energy: 0.576696660212534
Energy: 0.5518775420177792
Energy: 0.6183856387259339
Energy: 0.5518775420171738
Energy: 0.697639121194167
Energy: 0.5220269480399369
Energy: 0.561425839031786
Energy: 0.5220269480435695
Energy: 0.6976391211959833
Energy: 0.5220269480417532
Energy: 0.5822767343851167
Energy: 0.5661765022864395
Energy: 0.5915010370201131
Energy: 0.5661765022858342
Energy: 0.5822767343881438
Energy: 0.5661765022864395
Energy: 0.5838625422913208
Energy: 0.5234455432836981
Energy: 0.5721113104507826
Energy: 0.5234455432836981
Energy: 0.5838625422907153
Energy: 0.5234455432836981
Energy: 0.5966231473389125
Energy: 0.5238426461898439
Energy: 0.5371221758086614
Energy: 0.5238426461910547
Energy: 0.5966231473358855
Energy: 0.5238426461910547
Energy: 0.5387617212987837
Energy: 0.5237930684835086
Energy: 0.5961064745913552
Energy: 0.5237930684859303
Energy: 0.5386662465265926
Energy: 0.5237930684865357
Energy: 0.5721381881700449
Energy: 0.5233118395152178
Energy: 0.5838681082101992
Energy: 0.5233118395164286
Energy: 0.5721381881700449
Energy: 0.5233118395164286
Energy: 0.5914990729509784
Energy: 0.5661540144097524
Energy: 0.5822515701515378
Energy: 0.5661540144103578
Energy: 0.5914990729509784
Energy: 0.5661540144103578
Energy: 0.5615858453989764
Energy: 0.5222475370623956
Energy: 0.6975336428397166
Energy: 0.5222475370617903
Energy: 0.5615858453995817
Energy: 0.5222475370636065
Energy: 0.5766966602149556
Energy: 0.5518533896793485
Energy: 0.5642926734849778
Energy: 0.5518533896787431
Energy: 0.5766966602119286
Energy: 0.5518533896787431
Energy: 0.5977140860386765
Energy: 0.5180988022387698
Energy: 0.7091591667236463
Energy: 0.5180988022387698
Energy: 0.5977140860356494
Energy: 0.5180988022381645
Energy: 0.5735885178295967
Energy: 0.5496778140630517
Energy: 0.6148474617189517
Energy: 0.5496778140606301
Energy: 0.5735885178302021
Energy: 0.5496778140624463
Energy: 0.5509057330425824
Energy: 0.5423241358278375
Energy: 0.6326401000894465
Energy: 0.5423241358278375
Energy: 0.5509057330425824
Energy: 0.5423241358266266
Energy: 0.5572527523645736
Energy: 0.5611016277887422
Energy: 0.6178645680703408
Energy: 0.5611016277893477
Energy: 0.5572527523688116
Energy: 0.5611016277887422
Energy: 0.5654053797455827
Energy: 0.513964224414054
Energy: 0.7215645225791595
Energy: 0.5139642244128432
Energy: 0.5654053797461881
Energy: 0.5139642244128432
Energy: 0.5637480067801375
Energy: 0.5221683324042342
Energy: 0.5822960663140779
Energy: 0.5221683324042342
Energy: 0.5637480067789267
Energy: 0.5221683324012072
Energy: 0.5343529287073142
Energy: 0.5167027434742636
Energy: 0.7119766008804703
Energy: 0.5167027434730528
Energy: 0.534352928708525
Energy: 0.5167027434730528
Energy: 0.546568847273856
Energy: 0.5401418246270416
Energy: 0.5961294706867118
Energy: 0.5401418246282523
Energy: 0.5465688472756723
Energy: 0.540141824627647

minimum gb energy = 0.49805321707198486 eV
minimum distance =  2.26961958961484 Angstroms
sigma value = 67


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

Energy: 0.21822831031336484
Energy: 0.2685220153178615
Energy: 0.2993418439455475
Energy: 0.26852201531949377
Energy: 0.21822831031336484
Energy: 0.26852201531868913
Energy: 0.18939159737807762
Energy: 0.27768917197406556
Energy: 0.6008458958050615
Energy: 0.27768917197406556
Energy: 0.18939159737849146
Energy: 0.2776891719720425
Energy: 0.21822831031336484
Energy: 0.2685220153178615
Energy: 0.2989907399373698
Energy: 0.26852201532071224
Energy: 0.21822831031336484
Energy: 0.2685220153215168
Energy: 0.1893915973768592
Energy: 0.2776891719728471
Energy: 0.6008458957965783
Energy: 0.27768917197487025
Energy: 0.189391597377273
Energy: 0.27768917197323795
Energy: 0.21822831031377865
Energy: 0.26852201531949377
Energy: 0.30033043411252325
Energy: 0.26852201531949377
Energy: 0.2182283103125602
Energy: 0.2685220153202984
Energy: 0.18939159737807762
Energy: 0.27768917197082404
Energy: 0.6008458958038431
Energy: 0.2776891719720425
Energy: 0.18939159737849146
Energy: 0.27768917197323795
Energy: 0.21822831031377865
Energy: 0.26852201531949377
Energy: 0.30011320743227715
Energy: 0.2685220153215168
Energy: 0.21822831031336484
Energy: 0.2685220153202984

minimum gb energy = 0.1893915973768592 eV
minimum distance =  2.364289867108 Angstroms
sigma value = 3


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

Energy: 0.7206786542382863
Energy: 0.4738545333544253
Energy: 0.5446712734565426
Energy: 0.4738545333544253
Energy: 0.7206786542355331
Energy: 0.4738545333560772
Energy: 0.7629391534881728
Energy: 0.5418474611646192
Energy: 0.5025341760389466
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Energy: 0.5107945334589954
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Energy: 0.5040753184968609
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Energy: 0.6972435916767458
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Energy: 0.5040753184985127
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Energy: 0.5024941022382423
Energy: 0.5628536544041263
Energy: 0.6850329525785965
Energy: 0.5628536544052273
Energy: 0.5024941022382423
Energy: 0.5628536544074298
Energy: 0.5143709296130174
Energy: 0.4978988650449291
Energy: 0.6708124277271535
Energy: 0.4978988650460303
Energy: 0.5143709296130174
Energy: 0.4978988650471316
Energy: 0.5105938157162494
Energy: 0.5757779202024345
Energy: 0.679948956984752
Energy: 0.5757779202013332
Energy: 0.5105938157173507
Energy: 0.5757779202007826
Energy: 0.5129242223155052
Energy: 0.5082013488401724
Energy: 0.6007443144042672
Energy: 0.5082013488385206
Energy: 0.5129242223149545
Energy: 0.5082013488379699
Energy: 0.5157321188523327
Energy: 0.5504948570571018
Energy: 0.6129956656318599
Energy: 0.5504948570576524
Energy: 0.5157321188556364
Energy: 0.5504948570576524
Energy: 0.5761617899741395
Energy: 0.4926372803035425
Energy: 0.5656327849425762
Energy: 0.49263728030134
Energy: 0.5761617899768925
Energy: 0.4926372803002388

minimum gb energy = 0.46289148578133404 eV
minimum distance =  2.29450151254953 Angstroms
sigma value = 81


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

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Energy: 0.4832318566827067
Energy: 0.552468801685012
Energy: 0.4832318566834624
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Energy: 0.5319801600496202
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Energy: 0.7459683085706501
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Energy: 0.5814461601120466
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Energy: 0.5466776424265999
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Energy: 0.5191701707654749
Energy: 0.6289170258286435
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Energy: 0.4803368967588631
Energy: 0.6374416532437946
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Energy: 0.48033689676037455
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Energy: 0.5044467555786788
Energy: 0.7163277210948342
Energy: 0.5044467555749003
Energy: 0.5393124913804095
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Energy: 0.5310332717525156
Energy: 0.46484569254985925
Energy: 0.6166310315375382
Energy: 0.46484569254985925
Energy: 0.5310332717517597
Energy: 0.464845692550615
Energy: 0.5243175135532415
Energy: 0.5234969054814868
Energy: 0.676086188381691
Energy: 0.5234969054800096
Energy: 0.5243175135479515
Energy: 0.523496905479254
Energy: 0.553584573535367
Energy: 0.47594567413668487
Energy: 0.6496351305081698
Energy: 0.47594567413517347
Energy: 0.5535845735376342
Energy: 0.4759456741359292
Energy: 0.538231915199938
Energy: 0.5099007560742432
Energy: 0.6872965355671833
Energy: 0.5099007560719763
Energy: 0.5382319154438977
Energy: 0.5099007560727319
Energy: 0.5599729601139435
Energy: 0.4908637323486421
Energy: 0.5602144221757968
Energy: 0.49086373234788633
Energy: 0.5599729601131878
Energy: 0.49086373234788633
Energy: 0.5536117497763986
Energy: 0.48983237232471355
Energy: 0.6190955774388609
Energy: 0.4898323723239579
Energy: 0.5536116604063195
Energy: 0.48983237232546933

minimum gb energy = 0.4647622542120685 eV
minimum distance =  2.29155651796838 Angstroms
sigma value = 43


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

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Energy: 0.48229382082800426
Energy: 0.6166293779263154
Energy: 0.4822938208298608
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Energy: 0.6532699167797192
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Energy: 0.6298872649131774
Energy: 0.5388113010765223
Energy: 0.636610354860313
Energy: 0.5388113010765223
Energy: 0.6617696112706497
Energy: 0.48632475561152916
Energy: 0.5410456354294104
Energy: 0.48632475561245747
Energy: 0.6617696112687932
Energy: 0.48632475561245747
Energy: 0.6489853019463785
Energy: 0.4843548823063143
Energy: 0.5402747482761887
Energy: 0.48435488230538604
Energy: 0.6489853018619486
Energy: 0.48435488230538604
Energy: 0.6360430366431016
Energy: 0.48526141860799366
Energy: 0.545209747919405
Energy: 0.4852614186070654
Energy: 0.636043036641245
Energy: 0.48526141860799366
Energy: 0.6547841478163247
Energy: 0.4981231739005079
Energy: 0.5512614976744155
Energy: 0.4981231738995796
Energy: 0.6547841478135399
Energy: 0.4981231739005079
Energy: 0.5565824350412698
Energy: 0.5314612001654155
Energy: 0.5682820182771778
Energy: 0.5314612001663438
Energy: 0.5565824350654047
Energy: 0.5314612001654155
Energy: 0.5462339835221239
Energy: 0.4565184334109624
Energy: 0.5419933716419028
Energy: 0.4565184334091058
Energy: 0.5462339835230522
Energy: 0.45651843341003406
Energy: 0.5130195786493992
Energy: 0.5298705231835809
Energy: 0.5605294843638998
Energy: 0.5298705231845091
Energy: 0.5130195786512557
Energy: 0.5298705231835809
Energy: 0.5252354577522786
Energy: 0.48995387417605507
Energy: 0.5702318719821271
Energy: 0.48995387417419844
Energy: 0.5252354577522786
Energy: 0.48995387417512676
Energy: 0.5458326058653152
Energy: 0.4818093487932967
Energy: 0.6036031481682271
Energy: 0.4818093487932967
Energy: 0.5458326058476782
Energy: 0.4818093487932967
Energy: 0.5412144702202251
Energy: 0.45610778559779885
Energy: 0.6577643301308451
Energy: 0.4561077855968706
Energy: 0.5412144702183685
Energy: 0.4561077855968706
Energy: 0.5376564174964841
Energy: 0.4843413555214412
Energy: 0.6536844174722517
Energy: 0.4843413555205129
Energy: 0.5376564174955559
Energy: 0.4843413555205129
Energy: 0.5625050983163842
Energy: 0.4649151975202265
Energy: 0.5702476746469075
Energy: 0.4649151975202265
Energy: 0.5625050983145277
Energy: 0.4649151975202265
Energy: 0.5430313377236998
Energy: 0.4909686869533942
Energy: 0.6274032757926944
Energy: 0.4909686869533942
Energy: 0.5430313377246283
Energy: 0.4909686869543225
Energy: 0.5649193672507867
Energy: 0.5006058108030347
Energy: 0.5419177213950428
Energy: 0.5006058108030347
Energy: 0.5649193672526432
Energy: 0.5006058108030347

minimum gb energy = 0.45562673029801903 eV
minimum distance =  2.29073326876446 Angstroms
sigma value = 57


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

Energy: 0.6771334171288547
Energy: 0.4585665779288077
Energy: 0.6539158969202367
Energy: 0.4585665779288077
Energy: 0.6771334171288547
Energy: 0.4585665779288077
Energy: 0.6578584461955499
Energy: 0.5116358640688686
Energy: 0.5674634035960892
Energy: 0.5116358640676667
Energy: 0.6578584461955499
Energy: 0.5116358640700704
Energy: 0.571167880594878
Energy: 0.4669462105691754
Energy: 0.587817775558199
Energy: 0.4669462105691754
Energy: 0.5711678805936761
Energy: 0.4669462105679736
Energy: 0.5884969019187314
Energy: 0.563175108768517
Energy: 0.5557970497416411
Energy: 0.563175108768517
Energy: 0.5884969019199332
Energy: 0.563175108768517
Energy: 0.560496963515918
Energy: 0.5650224352508492
Energy: 0.6764254923266122
Energy: 0.5650224352496471
Energy: 0.560496963515918
Energy: 0.5650224352484454
Energy: 0.5509024020683003
Energy: 0.46281874670000506
Energy: 0.5554229803683669
Energy: 0.46281874670000506
Energy: 0.5509024020707042
Energy: 0.46281874670000506
Energy: 0.5734669990297112
Energy: 0.46708434836042895
Energy: 0.6504128520843082
Energy: 0.4670843483616309
Energy: 0.5734669990297112
Energy: 0.46708434836042895
Energy: 0.5694857526084045
Energy: 0.4599075930525323
Energy: 0.6048867588864507
Energy: 0.4599075930537342
Energy: 0.5694857526084045
Energy: 0.4599075930537342
Energy: 0.5614159634915238
Energy: 0.5125589186604576
Energy: 0.6429811135637483
Energy: 0.5125589186592556
Energy: 0.5614159634915238
Energy: 0.5125589186592556
Energy: 0.5528480039166649
Energy: 0.4624941698128155
Energy: 0.5554905492938366
Energy: 0.4624941698128155
Energy: 0.5528480039142611
Energy: 0.4624941698128155
Energy: 0.557881208554635
Energy: 0.5150776665914131
Energy: 0.5585444286007035
Energy: 0.5150776665914131
Energy: 0.557881208554635
Energy: 0.515077666590211
Energy: 0.5605732741274558
Energy: 0.4824235603074843
Energy: 0.5557166979382112
Energy: 0.4824235603074843
Energy: 0.5605732741250519
Energy: 0.4824235603062824
Energy: 0.5604117494105105
Energy: 0.5120198203238171
Energy: 0.5917374237410488
Energy: 0.512019820325019
Energy: 0.5604117494105105
Energy: 0.512019820325019
Energy: 0.6497655390697483
Energy: 0.4612948640974619
Energy: 0.5614345267366139
Energy: 0.46129486409986575
Energy: 0.6497655371980018
Energy: 0.46129486409986575
Energy: 0.7143104709479416
Energy: 0.502592920763338
Energy: 0.5523526389542657
Energy: 0.502592920763338
Energy: 0.714310470944336
Energy: 0.502592920763338
Energy: 0.5601853855418774
Energy: 0.5139969140782417
Energy: 0.5558575567884605
Energy: 0.5139969140770398
Energy: 0.5601853855382717
Energy: 0.5139969140770398
Energy: 0.5600514143967709
Energy: 0.49876715397925364
Energy: 0.5561193942760773
Energy: 0.4987671539804555
Energy: 0.5600514143967709
Energy: 0.4987671539804555
Energy: 0.5721721477821201
Energy: 0.5944474135731663
Energy: 0.5724025552850507
Energy: 0.5944474135731663
Energy: 0.5721721477809183
Energy: 0.5944474135731663
Energy: 0.5559079571785567
Energy: 0.4987959724545695
Energy: 0.5600132160507175
Energy: 0.49879597245336765
Energy: 0.5559079571785567
Energy: 0.49879597245336765
Energy: 0.5558295777009088
Energy: 0.5140076906151217
Energy: 0.5600902640945411
Energy: 0.5140076906151217
Energy: 0.5558295777081202
Energy: 0.5140076906151217
Energy: 0.5526053269641945
Energy: 0.5026543738411527
Energy: 0.7142607757101912
Energy: 0.5026543738423545
Energy: 0.5526053269653965
Energy: 0.5026543738423545
Energy: 0.5615469214376784
Energy: 0.49203991085919546
Energy: 0.6497284719806866
Energy: 0.4920399108603974
Energy: 0.5615469214364766
Energy: 0.4920399108603974
Energy: 0.5993899381080393
Energy: 0.5107498929400682
Energy: 0.5603248546434868
Energy: 0.5107498929400682
Energy: 0.5993899381056355
Energy: 0.51074989294127
Energy: 0.5557097231192716
Energy: 0.48238276070902586
Energy: 0.5604394390015024
Energy: 0.48238276070902586
Energy: 0.5557097231192716
Energy: 0.48238276071022773

minimum gb energy = 0.4585665779288077 eV
minimum distance =  2.28150479750174 Angstroms
sigma value = 17


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

Energy: 0.5815316736173514
Energy: 0.4532122381144089
Energy: 0.6783797896579635
Energy: 0.4532122381110094
Energy: 0.5815316736156902
Energy: 0.4532122381178084
Energy: 0.6342815073469061
Energy: 0.46547505679962586
Energy: 0.6030221912074352
Energy: 0.46547505680132567
Energy: 0.6342815073469061
Energy: 0.46547505680132567
Energy: 0.6049038347675292
Energy: 0.4645510550611976
Energy: 0.6116043989461182
Energy: 0.4645510550611976
Energy: 0.6049038347658295
Energy: 0.4645510550611976
Energy: 0.5873054878357711
Energy: 0.4641746189642504
Energy: 0.5652335794067118
Energy: 0.46417461896595014
Energy: 0.5873054878357711
Energy: 0.4641746189642504
Energy: 0.6015334220754364
Energy: 0.4649578613914235
Energy: 0.6558034040306289
Energy: 0.4649578613863243
Energy: 0.6015334220754364
Energy: 0.4649578613863243
Energy: 0.5836033581526998
Energy: 0.4530831976092337
Energy: 0.5536849426692704
Energy: 0.4530831976109334
Energy: 0.5836033581526998
Energy: 0.4530831976109334
Energy: 0.5578084436736641
Energy: 0.547373893983059
Energy: 0.5807170980467334
Energy: 0.547373893983059
Energy: 0.5578084436702645
Energy: 0.547373893983059
Energy: 0.5646000734999419
Energy: 0.49906203072862076
Energy: 0.5367429195497907
Energy: 0.49906203073032046
Energy: 0.5646000734999419
Energy: 0.49906203073032046
Energy: 0.5654331144339216
Energy: 0.46334914102400243
Energy: 0.6415038595646086
Energy: 0.46334914102400243
Energy: 0.5654331144356213
Energy: 0.46334914102400243
Energy: 0.5563169265449865
Energy: 0.45168777717683484
Energy: 0.6025823660905838
Energy: 0.4516877771785346
Energy: 0.5563169265466863
Energy: 0.4516877771785346
Energy: 0.554536303775858
Energy: 0.4501978827482545
Energy: 0.5793402882809424
Energy: 0.45019788274995426
Energy: 0.554536303775858
Energy: 0.45019788274995426
Energy: 0.5385520230669678
Energy: 0.503711100821844
Energy: 0.5805359473629361
Energy: 0.5037111008235439
Energy: 0.5385520230703674
Energy: 0.5037111008235439
Energy: 0.565012680396234
Energy: 0.49437791988246566
Energy: 0.5650363328479714
Energy: 0.49437791988416546
Energy: 0.5650126803979338
Energy: 0.49437791988246566
Energy: 0.5675183527742481
Energy: 0.46407009924120707
Energy: 0.5654810564584748
Energy: 0.46407009924120707
Energy: 0.5675183527759478
Energy: 0.4640700992429069
Energy: 0.5378280198446822
Energy: 0.45324297978819966
Energy: 0.5564419992399049
Energy: 0.45324297978819966
Energy: 0.5378280198429825
Energy: 0.45324297978819966
Energy: 0.5807241439989804
Energy: 0.4970383121932826
Energy: 0.553931752531169
Energy: 0.4970383122442751
Energy: 0.5807241440006803
Energy: 0.49703831228503037
Energy: 0.565894129519645
Energy: 0.47938066138270713
Energy: 0.5399079662026323
Energy: 0.47938066138610663
Energy: 0.565894129519645
Energy: 0.4793806613844069

minimum gb energy = 0.4501978827482545 eV
minimum distance =  2.27494995127327 Angstroms
sigma value = 17


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

Energy: 0.6940384308562518
Energy: 0.477946765493668
Energy: 0.7469785923176387
Energy: 0.47794676549235526
Energy: 0.6940384308470625
Energy: 0.47794676549235526
Energy: 0.6604777397179372
Energy: 0.4827898602493109
Energy: 0.60315576502498
Energy: 0.4827898602466854
Energy: 0.6604777397179372
Energy: 0.4827898602466854
Energy: 0.5979124404770942
Energy: 0.5563999866450773
Energy: 0.6523290158602524
Energy: 0.5563999866450773
Energy: 0.597912440475125
Energy: 0.5563999866450773
Energy: 0.6086493955842033
Energy: 0.4729339498319087
Energy: 0.6061185828427209
Energy: 0.47293394982928316
Energy: 0.6086493955671672
Energy: 0.47293394982928316
Energy: 0.5922421292358201
Energy: 0.5140649649606436
Energy: 0.6654573061650443
Energy: 0.5140649649599873
Energy: 0.5922421292299126
Energy: 0.514064964959331
Energy: 0.6105642119177245
Energy: 0.4769297418354026
Energy: 0.6247046491313593
Energy: 0.4769297418360291
Energy: 0.6105642119137862
Energy: 0.4769297418354026
Energy: 0.5985144738710232
Energy: 0.5290557580518505
Energy: 0.6565195095867667
Energy: 0.5290557580531633
Energy: 0.598514473869054
Energy: 0.5290557580538197
Energy: 0.6429560537231495
Energy: 0.46559776506894074
Energy: 0.5983377144275633
Energy: 0.4655977650708801
Energy: 0.6429560537238058
Energy: 0.4655977650708801
Energy: 0.618616672283651
Energy: 0.4769897065541346
Energy: 0.6062298563040404
Energy: 0.4769897065567601
Energy: 0.6186166722856201
Energy: 0.4769897065554473
Energy: 0.6851698093311416
Energy: 0.4999789179803935
Energy: 0.5814286061427544
Energy: 0.4999789179803935
Energy: 0.6851698093337671
Energy: 0.4999789179803935
Energy: 0.6071315404411849
Energy: 0.4822022353756806
Energy: 0.608084609586045
Energy: 0.48220223537633694
Energy: 0.6071315404438103
Energy: 0.48220223537633694
Energy: 0.6127792340218143
Energy: 0.49925884251916075
Energy: 0.5931587086676164
Energy: 0.49925884251719155
Energy: 0.6127792340218143
Energy: 0.49925884251719155
Energy: 0.60661366972799
Energy: 0.4544862880996048
Energy: 0.6878434262161471
Energy: 0.45448628809894837
Energy: 0.6066136697260208
Energy: 0.454486288098292
Energy: 0.6054727312825174
Energy: 0.4835976730018234
Energy: 0.6723637811056998
Energy: 0.48359767300313616
Energy: 0.6054727312805482
Energy: 0.48359767300313616
Energy: 0.6201590486476765
Energy: 0.5188967895933548
Energy: 0.6050350752543635
Energy: 0.5188967895940112
Energy: 0.6201590486476765
Energy: 0.5188967895946676
Energy: 0.6009969296740191
Energy: 0.46734049409042805
Energy: 0.5949137504265815
Energy: 0.46734049408977174
Energy: 0.6009969296733627
Energy: 0.46734049408977174
Energy: 0.6045821487012906
Energy: 0.47777393171563215
Energy: 0.6010934958984305
Energy: 0.47777393171694493
Energy: 0.6045821487032595
Energy: 0.47777393171628857
Energy: 0.6738720764056616
Energy: 0.5230687123171458
Energy: 0.6061781509773149
Energy: 0.5230687123164894
Energy: 0.6738720764043489
Energy: 0.5230687123164894
Energy: 0.6509779902806058
Energy: 0.4658503060218969
Energy: 0.5998167160132809
Energy: 0.4658503060218969
Energy: 0.650977990279293
Energy: 0.46585030602255334
Energy: 0.5994825056539683
Energy: 0.5400678340667493
Energy: 0.5995081909285974
Energy: 0.5400678340667493
Energy: 0.5994825056546247
Energy: 0.5400678340667493
Energy: 0.6002320048125279
Energy: 0.4658265377714893
Energy: 0.6592708883206763
Energy: 0.4658265377721457
Energy: 0.6002320048105588
Energy: 0.4658265377721457
Energy: 0.6060294498760534
Energy: 0.5230997516790135
Energy: 0.6740410541744689
Energy: 0.5230997516790135
Energy: 0.6060294498753971
Energy: 0.5230997516790135
Energy: 0.6020668131517399
Energy: 0.47847017706578404
Energy: 0.6050913144461881
Energy: 0.4784701770670968
Energy: 0.6020668131497708
Energy: 0.4784701770670968
Energy: 0.5949394810751164
Energy: 0.47104685381620537
Energy: 0.6011998361041212
Energy: 0.47104685381751815
Energy: 0.5949394810764291
Energy: 0.47104685381751815
Energy: 0.6050660289911536
Energy: 0.5191104929177932
Energy: 0.6171763906448642
Energy: 0.5191104929158241
Energy: 0.6050660289918101
Energy: 0.5191104929158241
Energy: 0.6724945134388021
Energy: 0.4833595407252655
Energy: 0.605018824050847
Energy: 0.48335954072789106
Energy: 0.6724945134322383
Energy: 0.48335954072723464
Energy: 0.6878623088779326
Energy: 0.4545733333046197
Energy: 0.6066423493034643
Energy: 0.45457333330658883
Energy: 0.6878623088759634
Energy: 0.4545733333046197
Energy: 0.5945451849883734
Energy: 0.49923810681447833
Energy: 0.6127315912434846
Energy: 0.49923810681513475
Energy: 0.5945451849890298
Energy: 0.49923810681447833
Energy: 0.6026360576542446
Energy: 0.4822186684644431
Energy: 0.6073550740192277
Energy: 0.4822186684650995
Energy: 0.6026360576562138
Energy: 0.4822186684644431
Energy: 0.5812366162293781
Energy: 0.5101965332965727
Energy: 0.6850586425091821
Energy: 0.5101965332946033
Energy: 0.5812366162260962
Energy: 0.5101965332946033
Energy: 0.6063663872265022
Energy: 0.4770594401236242
Energy: 0.6177867760845661
Energy: 0.4770594401242806
Energy: 0.6063663872297842
Energy: 0.4770594401242806
Energy: 0.598342413711996
Energy: 0.46569307736257964
Energy: 0.6427456537189479
Energy: 0.4656930773619233
Energy: 0.5983424137139652
Energy: 0.46569307736257964
Energy: 0.6567014042023324
Energy: 0.5288438266151638
Energy: 0.5986416221275948
Energy: 0.528843826613851
Energy: 0.6567014041997068
Energy: 0.5288438266131947
Energy: 0.6243146863354209
Energy: 0.4769053498900773
Energy: 0.6106807130589006
Energy: 0.47690534988679534
Energy: 0.6243146863347645
Energy: 0.47690534988745176
Energy: 0.6719808332970691
Energy: 0.5140649649639255
Energy: 0.5928566023937257
Energy: 0.5140649649652383
Energy: 0.6719808332970691
Energy: 0.5140649649658946
Energy: 0.6061629467696947
Energy: 0.47273459405052615
Energy: 0.6208359691193547
Energy: 0.47273459404855706
Energy: 0.6061629467710077
Energy: 0.47273459404855706
Energy: 0.6524085861195906
Energy: 0.5563896382392497
Energy: 0.5979186060612739
Energy: 0.5563896382385934
Energy: 0.6524085861195906
Energy: 0.5563896382385934
Energy: 0.6031900888175707
Energy: 0.4829524794199425
Energy: 0.6605606511303337
Energy: 0.48295247942059893
Energy: 0.6031900888169143
Energy: 0.4829524794199425
Energy: 0.6802573101780026
Energy: 0.4779467654943244
Energy: 0.6940384308398423
Energy: 0.4779467654916989
Energy: 0.6802573101865358
Energy: 0.4779467654916989
Energy: 0.6031557650262929
Energy: 0.4827898602486545
Energy: 0.6604777397172809
Energy: 0.48278986024799814
Energy: 0.6031557650262929
Energy: 0.4827898602473417
Energy: 0.6523290158589397
Energy: 0.5563999866457336
Energy: 0.5979124404770942
Energy: 0.5563999866457336
Energy: 0.6523290158602524
Energy: 0.5563999866450773
Energy: 0.6061185828420647
Energy: 0.4729339498299395
Energy: 0.6086493955848596
Energy: 0.47293394982928316
Energy: 0.6061185828499411
Energy: 0.4729339498299395
Energy: 0.6654573061630752
Energy: 0.514064964959331
Energy: 0.5922421292272869
Energy: 0.5140649649606436
Energy: 0.6654573061676698
Energy: 0.5140649649606436

minimum gb energy = 0.454486288098292 eV
minimum distance =  2.27297888269016 Angstroms
sigma value = 57


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

Energy: 0.626324984496114
Energy: 0.4566076348306502
Energy: 0.7838271323210096
Energy: 0.4566076348306502
Energy: 0.6263249844971828
Energy: 0.4566076348306502
Energy: 0.6206392913389202
Energy: 0.4647642229125339
Energy: 0.6191407711976656
Energy: 0.4647642229093277
Energy: 0.620639291334645
Energy: 0.4647642229093277
Energy: 0.6120630292342432
Energy: 0.5391165589462522
Energy: 0.6945428941510255
Energy: 0.539116558943046
Energy: 0.6120630292331743
Energy: 0.5391165589462522
Energy: 0.617466979169345
Energy: 0.5103694504436416
Energy: 0.633045087482052
Energy: 0.5103694504393667
Energy: 0.6174669791640014
Energy: 0.5103694504404354
Energy: 0.5874082862715719
Energy: 0.5191332500759169
Energy: 0.6549024345054931
Energy: 0.5191332500695046
Energy: 0.5874082862694344
Energy: 0.5191332500705733
Energy: 0.6163804427327723
Energy: 0.5099147244140425
Energy: 0.6333314023655714
Energy: 0.5099147244086988
Energy: 0.6163804427317036
Energy: 0.5099147244097676
Energy: 0.5983977485803885
Energy: 0.538470474067358
Energy: 0.6800076076851065
Energy: 0.5384704740727017
Energy: 0.5983977485793198
Energy: 0.5384704740748393
Energy: 0.6771747570759782
Energy: 0.4921922407955465
Energy: 0.6189533459234877
Energy: 0.49219224080195895
Energy: 0.6771747570823906
Energy: 0.4921922407987527
Energy: 0.6426330752630524
Energy: 0.46316638048857317
Energy: 0.6099248911753656
Energy: 0.4631663804906621
Energy: 0.6426330752630524
Energy: 0.4631663804896419
Energy: 0.6126688596493919
Energy: 0.4655644444527621
Energy: 0.6037202152038551
Energy: 0.4655644444581059
Energy: 0.6126688596461856
Energy: 0.46556444445703715
Energy: 0.598185346651034
Energy: 0.45377171080961376
Energy: 0.6068186484329667
Energy: 0.45377171081068246
Energy: 0.5981853466521028
Energy: 0.45377171081068246
Energy: 0.6616343621171247
Energy: 0.510704603001052
Energy: 0.6162495790030369
Energy: 0.5107046029999833
Energy: 0.6616343621139184
Energy: 0.5107046030021207
Energy: 0.5995773685317831
Energy: 0.49851331851319675
Energy: 0.6096789254174837
Energy: 0.49851331851212805
Energy: 0.5995773685275081
Energy: 0.4985133185089218
Energy: 0.6164094432588831
Energy: 0.48112692681788294
Energy: 0.6094751581996903
Energy: 0.4811269268189517
Energy: 0.6164094432610207
Energy: 0.4811269268189517
Energy: 0.5906940599846947
Energy: 0.5385540252950924
Energy: 0.6059105821581097
Energy: 0.5385540252993675
Energy: 0.5906940599846947
Energy: 0.5385540252993675
Energy: 0.6920051570528062
Energy: 0.47811555087656576
Energy: 0.6203171252100901
Energy: 0.478115550875497
Energy: 0.6920051570549436
Energy: 0.47811555087229085
Energy: 0.6365972750228995
Energy: 0.4659679847028361
Energy: 0.6118886917977808
Energy: 0.4659679847039048
Energy: 0.6365972750228995
Energy: 0.4659679847039048
Energy: 0.6486778981543132
Energy: 0.5011858001429468
Energy: 0.6127443061620994
Energy: 0.5011858001333279
Energy: 0.6486778981500381
Energy: 0.5011858001354655
Energy: 0.6090859956478825
Energy: 0.4508771440196569
Energy: 0.6075612443503983
Energy: 0.4508771440164507
Energy: 0.6090859956489512
Energy: 0.45087714401538187
Energy: 0.6305600802603294
Energy: 0.47846433019051543
Energy: 0.6136787404659243
Energy: 0.47846433018624035
Energy: 0.6305600802656731
Energy: 0.47846433018624035
Energy: 0.6032819380671486
Energy: 0.4723779239766693
Energy: 0.6128390196250341
Energy: 0.4723779239766693
Energy: 0.6032819380703548
Energy: 0.4723779239766693
Energy: 0.5976267982024706
Energy: 0.45066871761971755
Energy: 0.6077741807749835
Energy: 0.45066871762928773
Energy: 0.5976267982014019
Energy: 0.45066871762928773
Energy: 0.5987225539094462
Energy: 0.4950790451599493
Energy: 0.6067717998012034
Energy: 0.49507904515353685
Energy: 0.5987225539126523
Energy: 0.49507904515353685
Energy: 0.6360776996429797
Energy: 0.46159599726219536
Energy: 0.64450212820985
Energy: 0.4615959972675391
Energy: 0.636077699641911
Energy: 0.4615959972675391
Energy: 0.6354257926614347
Energy: 0.46477214465500044
Energy: 0.6257494431729367
Energy: 0.4647721446507254
Energy: 0.6354257926614347
Energy: 0.46477214464645045
Energy: 0.601041687450602
Energy: 0.4932126645125735
Energy: 0.6052165661371943
Energy: 0.4932126645093673
Energy: 0.6010416874441896
Energy: 0.4932126645093673
Energy: 0.596422000784153
Energy: 0.465053976909748
Energy: 0.6077971655857775
Energy: 0.465053976909748
Energy: 0.5964220007852217
Energy: 0.46505397690761047

minimum gb energy = 0.45066871761971755 eV
minimum distance =  2.29180259001339 Angstroms
sigma value = 43


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

Energy: 0.6369928056110775
Energy: 0.4981048275936637
Energy: 0.6733165936119287
Energy: 0.4981048275944424
Energy: 0.6369928056102989
Energy: 0.49810482759522107
Energy: 0.6417259587070383
Energy: 0.4933757714912319
Energy: 0.6101273494297547
Energy: 0.49337577148967454
Energy: 0.6417259587070383
Energy: 0.49337577148967454
Energy: 0.656086336819308
Energy: 0.5432722525598386
Energy: 0.5592427918113574
Energy: 0.5432722525606173
Energy: 0.656086336819308
Energy: 0.5432722525606173
Energy: 0.6120193542342717
Energy: 0.48129328697277884
Energy: 0.6129730471209341
Energy: 0.48129328697355755
Energy: 0.6120193542358291
Energy: 0.48129328697355755
Energy: 0.5890030302642563
Energy: 0.5345097247176696
Energy: 0.611975135928711
Energy: 0.5345097247168908
Energy: 0.5890030302619202
Energy: 0.5345097247176696
Energy: 0.613567919329842
Energy: 0.5275538104015827
Energy: 0.6123823793833723
Energy: 0.5275538104023613
Energy: 0.6135679207806545
Energy: 0.5275538104015827
Energy: 0.622231710427931
Energy: 0.5298827450238861
Energy: 0.6053417437846936
Energy: 0.5298827450246648
Energy: 0.6222317104263736
Energy: 0.5298827450238861
Energy: 0.6299540503487022
Energy: 0.5343736204734816
Energy: 0.6013307559805526
Energy: 0.5343736204727029
Energy: 0.6299540503471449
Energy: 0.5343736204734816
Energy: 0.6113138331794598
Energy: 0.493160319310819
Energy: 0.6229955435174631
Energy: 0.493160319310819
Energy: 0.6113138331817958
Energy: 0.493160319310819
Energy: 0.6581683041754994
Energy: 0.5463196160877498
Energy: 0.5946179308253694
Energy: 0.5463196160869711
Energy: 0.6581683041747207
Energy: 0.5463196160869711
Energy: 0.6107082981073452
Energy: 0.4940958296045674
Energy: 0.621279590044309
Energy: 0.4940958296037887
Energy: 0.6107082981089025
Energy: 0.4940958296037887
Energy: 0.6121968195513444
Energy: 0.5005035124151055
Energy: 0.6356899126472912
Energy: 0.5005035124143269
Energy: 0.6121968195490083
Energy: 0.5005035124135482
Energy: 0.6149038493870904
Energy: 0.4954843929427853
Energy: 0.6074673590243246
Energy: 0.49548439294434266
Energy: 0.6149038493870904
Energy: 0.49548439294586466
Energy: 0.6079381053041137
Energy: 0.4953974352190512
Energy: 0.6086658089612279
Energy: 0.49539743521982993
Energy: 0.6079381052877612
Energy: 0.49539743521982993
Energy: 0.6252128879008259
Energy: 0.49500971516332715
Energy: 0.6464643852770501
Energy: 0.4950097151640704
Energy: 0.6252128879023832
Energy: 0.49500971516332715
Energy: 0.6140572272493641
Energy: 0.5425472595725752
Energy: 0.6226258242727865
Energy: 0.5425472595725752
Energy: 0.614057227247028
Energy: 0.5425472595741326
Energy: 0.6174829871288429
Energy: 0.4990888567323971
Energy: 0.6148611968590283
Energy: 0.4990888567316184
Energy: 0.6174829871304003
Energy: 0.4990888567316184
Energy: 0.614678457307227
Energy: 0.5483086324914672
Energy: 0.6040486237374232
Energy: 0.5483086324906886
Energy: 0.614678457307227
Energy: 0.5483086324899099
Energy: 0.6379534712430862
Energy: 0.4963274511800147
Energy: 0.6324531052750795
Energy: 0.4963274511776786
Energy: 0.6379534712454222
Energy: 0.496327451179236
Energy: 0.5894523923616268
Energy: 0.4810784793134572
Energy: 0.6148184334220124
Energy: 0.48107847931423586
Energy: 0.5894523923616268
Energy: 0.48107847931423586
Energy: 0.596814741426691
Energy: 0.5483648309952263
Energy: 0.6116609552286394
Energy: 0.5483648309952263
Energy: 0.596814741429027
Energy: 0.548364830996005
Energy: 0.6246375950210608
Energy: 0.4857868448161934
Energy: 0.6124231783557522
Energy: 0.4857868448154147
Energy: 0.6246375950210608
Energy: 0.4857868448154147
Energy: 0.6486757650794598
Energy: 0.4998765608960359
Energy: 0.6137951671021937
Energy: 0.49987656089525717
Energy: 0.6486757650794598
Energy: 0.49987656089525717
Energy: 0.5810063257035517
Energy: 0.5164546770165533
Energy: 0.6163163164889409
Energy: 0.5164546770142172
Energy: 0.5810063257027731
Energy: 0.5164546770157746
Energy: 0.591910976984571
Energy: 0.49607442480771125
Energy: 0.6161715025919697
Energy: 0.49607442480771125
Energy: 0.591910976984571
Energy: 0.49607442480771125
Energy: 0.6332217544930955
Energy: 0.4926791294555776
Energy: 0.6342471857878142
Energy: 0.4926791294555776
Energy: 0.6332217544907593
Energy: 0.4926791294555776
Energy: 0.624478494487123
Energy: 0.505615669975512
Energy: 0.6148459897928396
Energy: 0.5056156699762907
Energy: 0.6244784944879018
Energy: 0.505615669975512
Energy: 0.6082412433748237
Energy: 0.4786151633823019
Energy: 0.6082684313973047
Energy: 0.47861516338074456
Energy: 0.6082412433748237
Energy: 0.4786151633838593
Energy: 0.614760664953471
Energy: 0.5056769152387054
Energy: 0.6279180948879678
Energy: 0.5056769152402628
Energy: 0.6147606649511349
Energy: 0.5056769152402628
Energy: 0.6341790405484485
Energy: 0.4926693443714773
Energy: 0.6331541392114224
Energy: 0.49266934437069865
Energy: 0.6341790405515634
Energy: 0.49266934437069865
Energy: 0.616106907430403
Energy: 0.4961548955920363
Energy: 0.5918879235239796
Energy: 0.49615489559281495
Energy: 0.616106907430403
Energy: 0.49615489559281495
Energy: 0.616338821211907
Energy: 0.5489497951381066
Energy: 0.5810238103046729
Energy: 0.5489497951388854
Energy: 0.616338821211907
Energy: 0.5489497951388854
Energy: 0.6137498882653721
Energy: 0.4998865189461639
Energy: 0.652771344321744
Energy: 0.4998865189461639
Energy: 0.6137498882661507
Energy: 0.4998865189477213
Energy: 0.6122193180017912
Energy: 0.4861047672309012
Energy: 0.6246787174353354
Energy: 0.4861047672309012
Energy: 0.6122193180010125
Energy: 0.4861047672309012
Energy: 0.611526386011973
Energy: 0.5496845151057891
Energy: 0.5970432148630268
Energy: 0.5496845151050104
Energy: 0.611526386011973
Energy: 0.5496845151050104
Energy: 0.6147762978127355
Energy: 0.48096264769882313
Energy: 0.5892654764041577
Energy: 0.48096264769726577
Energy: 0.614776297811178
Energy: 0.48096264769726577

minimum gb energy = 0.47861516338074456 eV
minimum distance =  2.28030741426599 Angstroms
sigma value = 81


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

Energy: 0.7267340027698732
Energy: 0.475887126826673
Energy: 1.0193334710098252
Energy: 0.4758871268275183
Energy: 0.7267340027690279
Energy: 0.4758871268260878
Energy: 0.5754522440945914
Energy: 0.45561045368349506
Energy: 0.7266946567774853
Energy: 0.45561045368378766
Energy: 0.5754522440951442
Energy: 0.45561045368294234
Energy: 0.7267039660354593
Energy: 0.45552962959362414
Energy: 0.575443171925619
Energy: 0.45552962959476206
Energy: 0.7267039660354593
Energy: 0.4555296295933316
Energy: 1.0193334710092403
Energy: 0.4758871268272257
Energy: 0.7267340027690279
Energy: 0.47588712682865625
Energy: 1.019333471009533
Energy: 0.47588712682579515
Energy: 0.726694656778916
Energy: 0.4556104536832024
Energy: 0.5754522440960219
Energy: 0.4556104536843729
Energy: 0.7266946567774853
Energy: 0.4556104536860635
Energy: 0.5754431719264643
Energy: 0.4555296295933316
Energy: 0.7267039660366296
Energy: 0.45552962959248616
Energy: 0.5754431719273423
Energy: 0.4555296295933316
Energy: 0.7267340027696131
Energy: 0.4758871268260878
Energy: 0.8978824429454946
Energy: 0.4758871268272257
Energy: 0.7267340027696131
Energy: 0.47588712682865625
Energy: 0.5754522440948514
Energy: 0.4556104536843729
Energy: 0.7266946567797612
Energy: 0.4556104536843729
Energy: 0.5754522440942987
Energy: 0.45561045368264974
Energy: 0.7267039660371825
Energy: 0.4555296295921936
Energy: 0.575443171925619
Energy: 0.45552962959274634
Energy: 0.7267039660371825
Energy: 0.4555296295967779
Energy: 0.6678042169363152
Energy: 0.4758871268275183
Energy: 0.7267340027698732
Energy: 0.475887126826673
Energy: 0.6678042183101975
Energy: 0.4758871268272257

minimum gb energy = 0.4555296295921936 eV
minimum distance =  2.31065144495533 Angstroms
sigma value = 3


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

Energy: 0.7480406017865008
Energy: 0.6037442549595851
Energy: 0.6266539747929284
Energy: 0.6037442549612975
Energy: 0.7480406017856447
Energy: 0.6037442549612975
Energy: 0.577520012347078
Energy: 0.5530746137471126
Energy: 0.4873216821162576
Energy: 0.5530746137505375
Energy: 0.577520012347078
Energy: 0.5530746137505375
Energy: 0.5151254266915322
Energy: 0.5268422428303879
Energy: 0.6128556835929273
Energy: 0.5268422428286755
Energy: 0.51788846525573
Energy: 0.5268422428286755
Energy: 0.5605390087552125
Energy: 0.6048143939836551
Energy: 0.4956177549770422
Energy: 0.6048143939845114
Energy: 0.5605390087543564
Energy: 0.6048143939836551
Energy: 0.46047816028868377
Energy: 0.5364365989127376
Energy: 0.5865146793225826
Energy: 0.5364365989135936
Energy: 0.4837859364456712
Energy: 0.5364365989135936
Energy: 0.5685734991380949
Energy: 0.5669191575864814
Energy: 0.4968955759059631
Energy: 0.5669191575890499
Energy: 0.5685734991338139
Energy: 0.5669191575864814
Energy: 0.47535536619417534
Energy: 0.5391432947872518
Energy: 0.4820869899479218
Energy: 0.5391432947881079
Energy: 0.47786117821989005
Energy: 0.5391432947863956
Energy: 0.5529060945660165
Energy: 0.6015242234180757
Energy: 0.4963447772898701
Energy: 0.6015242234206444
Energy: 0.5529060945617355
Energy: 0.6015242234206444
Energy: 0.5594225976989605
Energy: 0.5441998506928407
Energy: 0.5828886999538798
Energy: 0.5441998506971217
Energy: 0.5594208453344384
Energy: 0.5441998506979779
Energy: 0.5600151546119961
Energy: 0.553216060245968
Energy: 0.5023164359178585
Energy: 0.5532160602468242
Energy: 0.5600151546077151
Energy: 0.553216060245968
Energy: 0.5996222855680735
Energy: 0.5485529647419435
Energy: 0.5883681446330813
Energy: 0.5485529647359502
Energy: 0.599622263702028
Energy: 0.548552964735094
Energy: 0.5992416041748092
Energy: 0.5517606912379255
Energy: 0.5383996419231475
Energy: 0.5517606912379255
Energy: 0.599241604173953
Energy: 0.5517606912379255
Energy: 0.5087320091871796
Energy: 0.6041561619907584
Energy: 0.5315265397434131
Energy: 0.6041561619933271
Energy: 0.5080139799402641
Energy: 0.6041561619924708
Energy: 0.560169347636739
Energy: 0.6031985840436956
Energy: 0.5278083292040446
Energy: 0.6031985840428394
Energy: 0.5601693476350266
Energy: 0.6031985840436956
Energy: 0.4570746157513792
Energy: 0.5556769209263631
Energy: 0.5532102918147614
Energy: 0.5556769209280754
Energy: 0.4567577986894852
Energy: 0.5556769209280754
Energy: 0.600044731694401
Energy: 0.5768748079840924
Energy: 0.5044726471644652
Energy: 0.5768748079840924
Energy: 0.6000442271720586
Energy: 0.576874807986661
Energy: 0.5061763514580457
Energy: 0.6157528038093415
Energy: 0.5025625795968257
Energy: 0.6157528038084852
Energy: 0.5068019951009014
Energy: 0.615752803807629
Energy: 0.5553537484854744
Energy: 0.5431970108847977
Energy: 0.5750844587909318
Energy: 0.5431970108813728
Energy: 0.5553537484829058
Energy: 0.5431970108830853
Energy: 0.5601471067686972
Energy: 0.5956911239346521
Energy: 0.5084734032615408
Energy: 0.5956911239312273
Energy: 0.5601471067721221
Energy: 0.5956911239312273
Energy: 0.5605218678954013
Energy: 0.5353192051647262
Energy: 0.5735748589679924
Energy: 0.5353192051698634
Energy: 0.5605209003790824
Energy: 0.5353192051690071
Energy: 0.6008848125555554
Energy: 0.557144578429552
Energy: 0.5387318744075675
Energy: 0.5571445784261273
Energy: 0.6008848125589802
Energy: 0.557144578425271
Energy: 0.6005447088418017
Energy: 0.5491909253669718
Energy: 0.5884915806642604
Energy: 0.5491909253652594
Energy: 0.6005447088409455
Energy: 0.5491909253652594
Energy: 0.5596025025410103
Energy: 0.5635957271876948
Energy: 0.504969215955693
Energy: 0.5635957271894072
Energy: 0.5596025025401541
Energy: 0.5635957271894072
Energy: 0.5599444619108214
Energy: 0.5451702574551799
Energy: 0.5950713035271115
Energy: 0.5451702574500428
Energy: 0.5599444504951196
Energy: 0.5451702574517552
Energy: 0.5529869755607719
Energy: 0.5700964982692331
Energy: 0.4937016023517683
Energy: 0.5700964982658084
Energy: 0.5529869753810492
Energy: 0.5700964982658084
Energy: 0.4656410581813502
Energy: 0.5889257398958928
Energy: 0.6272733230115618
Energy: 0.5889257398941805
Energy: 0.4565550188895697
Energy: 0.5889257398941805
Energy: 0.4566147081746311
Energy: 0.5783797038773884
Energy: 0.5662235924031994
Energy: 0.5783797038799569
Energy: 0.4564595326619417
Energy: 0.5783797038799569
Energy: 0.5212137128943528
Energy: 0.5321264770059443
Energy: 0.5814460410078193
Energy: 0.5321264770076566
Energy: 0.5212112329920081
Energy: 0.5321264770076566
Energy: 0.6299214862400948
Energy: 0.6114681277546892
Energy: 0.4951752033909413
Energy: 0.6114681277546892
Energy: 0.6299214862400948
Energy: 0.6114681277555454
Energy: 0.5036073601645963
Energy: 0.548383551122874
Energy: 0.6118691615720587
Energy: 0.548383551122874
Energy: 0.5045457073481847
Energy: 0.5483835511237302
Energy: 0.4867245936474501
Energy: 0.5508635687812601
Energy: 0.504062937948742
Energy: 0.5508635687846848
Energy: 0.48709197045281716
Energy: 0.5508635687838287
Energy: 0.6562095091991651
Energy: 0.6078548168628211
Energy: 0.5598479363213303
Energy: 0.6078548168662458
Energy: 0.5778260901859382
Energy: 0.6078548168653898
Energy: 0.5767307707475948
Energy: 0.5566424401675387
Energy: 0.5056326469415091
Energy: 0.5566424401701073
Energy: 0.5767307707424576
Energy: 0.5566424401692512

minimum gb energy = 0.4564595326619417 eV
minimum distance =  2.25126374167469 Angstroms
sigma value = 67


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

Energy: 0.7175841984516833
Energy: 0.5875026838834642
Energy: 0.6429885039088898
Energy: 0.5875026838785842
Energy: 0.7175841984456389
Energy: 0.5875026838810241
Energy: 0.6401587743011374
Energy: 0.5677830825890884
Energy: 0.6317287851468482
Energy: 0.5677830825926928
Energy: 0.6401587743011374
Energy: 0.5677830825926928
Energy: 0.6400465904782497
Energy: 0.5854971685918283
Energy: 0.566602256172586
Energy: 0.5854971685942684
Energy: 0.6400465911343209
Energy: 0.5854971685942684
Energy: 0.5938310593289556
Energy: 0.6259572596318185
Energy: 0.687090269004703
Energy: 0.6259572596354783
Energy: 0.5938310593277357
Energy: 0.6259572596354783
Energy: 0.6790326505253224
Energy: 0.6518503281060258
Energy: 0.6145408871570568
Energy: 0.6518503281071903
Energy: 0.6790326505253224
Energy: 0.6518503281060258
Energy: 0.6287288741076977
Energy: 0.5680638442188771
Energy: 0.5996282338575061
Energy: 0.5680638442176571
Energy: 0.6287288740321144
Energy: 0.5680638442188771
Energy: 0.5234978258845633
Energy: 0.5659884727771034
Energy: 0.6049437601210199
Energy: 0.5659884727795435
Energy: 0.5299837811372616
Energy: 0.5659884727771034
Energy: 0.6311931956262641
Energy: 0.6150597696362762
Energy: 0.5590823088374763
Energy: 0.615059769641156
Energy: 0.6311931956287041
Energy: 0.6150597696350562
Energy: 0.6272206652320883
Energy: 0.5769437110807002
Energy: 0.5588184757663267
Energy: 0.5769437110880199
Energy: 0.6272206652259885
Energy: 0.5769437110880199
Energy: 0.6349254051613238
Energy: 0.5683213771241038
Energy: 0.5351120647635784
Energy: 0.5683213771241038
Energy: 0.6349254051613238
Energy: 0.5683213771265438
Energy: 0.5475786385546338
Energy: 0.5625046321665769
Energy: 0.6016966152738549
Energy: 0.5625046321677969
Energy: 0.5464929708681938
Energy: 0.5625046321677969
Energy: 0.6377765215686773
Energy: 0.5921248153240616
Energy: 0.5475972672925294
Energy: 0.5921248153204016
Energy: 0.6377765218198821
Energy: 0.5921248153191817
Energy: 0.6210835005110861
Energy: 0.5770060207002151
Energy: 0.5475880771537212
Energy: 0.5770060206965552
Energy: 0.6210834349883111
Energy: 0.5770060206941153
Energy: 0.6259370879977404
Energy: 0.5306452740490809
Energy: 0.6397777320514518
Energy: 0.530645274045421
Energy: 0.6259370880050602
Energy: 0.530645274045421
Energy: 0.5972596772705814
Energy: 0.6080284469333024
Energy: 0.5246551471820428
Energy: 0.6080284469308624
Energy: 0.5972596772705814
Energy: 0.6080284469308624
Energy: 0.5881116155312938
Energy: 0.6042964279378216
Energy: 0.6334305889714538
Energy: 0.6042964279402615
Energy: 0.588111602441811
Energy: 0.6042964279402615
Energy: 0.6300145423602327
Energy: 0.5609436843113705
Energy: 0.5303919685707505
Energy: 0.5609436843125905
Energy: 0.6300145423614526
Energy: 0.5609436843113705
Energy: 0.5308713293481492
Energy: 0.5724410836210461
Energy: 0.5894787869907582
Energy: 0.5724410836210461
Energy: 0.5324247632561974
Energy: 0.5724410836210461
Energy: 0.6208677241124294
Energy: 0.63762206485285
Energy: 0.5233604388912606
Energy: 0.6376220648552899
Energy: 0.6208677241148693
Energy: 0.6376220648552899
Energy: 0.6816748996584513
Energy: 0.5843467701251293
Energy: 0.5868591507968487
Energy: 0.5843467701202494
Energy: 0.6816749396791825
Energy: 0.5843467701202494
Energy: 0.5745981758837575
Energy: 0.5589668289911375
Energy: 0.6453577833027783
Energy: 0.5589668289899175
Energy: 0.5745981758837575
Energy: 0.5589668289911375
Energy: 0.6380881669176749
Energy: 0.5574286211269337
Energy: 0.6484502651003622
Energy: 0.5574286211305937
Energy: 0.6380881669201148
Energy: 0.5574286211318136
Energy: 0.5642827426334452
Energy: 0.6074182388393177
Energy: 0.6509550240880065
Energy: 0.6074182388478576
Energy: 0.5642827426261254
Energy: 0.6074182388478576

minimum gb energy = 0.5233604388912606 eV
minimum distance =  2.25771206452235 Angstroms
sigma value = 33


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

Energy: 0.7485890938313132
Energy: 0.6279864912144174
Energy: 0.6482819369332137
Energy: 0.6279864912136435
Energy: 0.7485890938313132
Energy: 0.6279864912136435
Energy: 0.5990596880003916
Energy: 0.5973495475374182
Energy: 0.5830114130094765
Energy: 0.5973495475374182
Energy: 0.5990596880042611
Energy: 0.5973495475374182
Energy: 0.6760862547649336
Energy: 0.5618490139593885
Energy: 0.6348622185529463
Energy: 0.5618490139593885
Energy: 0.6760862547602899
Energy: 0.5618490139601625
Energy: 0.6849360462976245
Energy: 0.5565407868552912
Energy: 0.6127241234409171
Energy: 0.5565407868545172
Energy: 0.6849360462991723
Energy: 0.5565407868545172
Energy: 0.6310597193347692
Energy: 0.6046100817366322
Energy: 0.6198140538068099
Energy: 0.6046100817374062
Energy: 0.631059719238872
Energy: 0.6046100817350842
Energy: 0.6273444772584932
Energy: 0.5651308778339704
Energy: 0.669943736548219
Energy: 0.5651308778324226
Energy: 0.6273444772584932
Energy: 0.5651308778331964
Energy: 0.5938517396015286
Energy: 0.5473178365759535
Energy: 0.7101191950086603
Energy: 0.5473178365736315
Energy: 0.6055166834315654
Energy: 0.5473178365767273
Energy: 0.6488460116809767
Energy: 0.5595806535312069
Energy: 0.6280299710845172
Energy: 0.559580653530433
Energy: 0.6488459824950888
Energy: 0.559580653529659
Energy: 0.6377552184314609
Energy: 0.5998444658070723
Energy: 0.6255732662895362
Energy: 0.5998444658078462
Energy: 0.6377552184275913
Energy: 0.59984446580862
Energy: 0.6706772221844628
Energy: 0.5937193044078967
Energy: 0.5824703091767595
Energy: 0.5937193044071226
Energy: 0.6706772221867846
Energy: 0.5937193044071226
Energy: 0.6858609893345801
Energy: 0.558726985884017
Energy: 0.5638318185512029
Energy: 0.558726985884017
Energy: 0.6858609893322584
Energy: 0.558726985884017
Energy: 0.5982862098252297
Energy: 0.5715210543551105
Energy: 0.599785487618725
Energy: 0.5715210543527885
Energy: 0.5991426538448701
Energy: 0.5715210543527885
Energy: 0.6522192112412155
Energy: 0.6224242953162338
Energy: 0.5760418883281871
Energy: 0.622424295314686
Energy: 0.6522192112443111
Energy: 0.6224242953154597
Energy: 0.6842743971800729
Energy: 0.5495396527218451
Energy: 0.6671713892203903
Energy: 0.5495396527218451
Energy: 0.6842743938242729
Energy: 0.5495396527218451
Energy: 0.6199134059079935
Energy: 0.5607129788686014
Energy: 0.6806822806641691
Energy: 0.5607129788701493
Energy: 0.6199134059048979
Energy: 0.5607129788709232
Energy: 0.5817856339664701
Energy: 0.5771817004474449
Energy: 0.6066030877196188
Energy: 0.5771817004489928
Energy: 0.5970289193596143
Energy: 0.5771817004489928
Energy: 0.6412334347366683
Energy: 0.6188155767096071
Energy: 0.7428950968884973
Energy: 0.6188155767072853
Energy: 0.6412334347366683
Energy: 0.6188155767080592
Energy: 0.6628131651387628
Energy: 0.5477432592708069
Energy: 0.5936920640807896
Energy: 0.547743259271581
Energy: 0.6628131651225101
Energy: 0.5477432592708069
Energy: 0.6281247917318608
Energy: 0.5499098789289025
Energy: 0.661902735703249
Energy: 0.5499098789273547
Energy: 0.5520269454882385
Energy: 0.5499098789273547
Energy: 0.7132961587511709
Energy: 0.5553136157075939
Energy: 0.6472630597858535
Energy: 0.5553136157083678
Energy: 0.7132961587465274
Energy: 0.5553136157052723
Energy: 0.6055186530577796
Energy: 0.6035374296788312
Energy: 0.679043873989835
Energy: 0.6035374296796051
Energy: 0.6055186530554579
Energy: 0.603537429681153
Energy: 0.6646555682887163
Energy: 0.5630376197489239
Energy: 0.6260411806235098
Energy: 0.5630376197489239
Energy: 0.6646489835128084
Energy: 0.5630376197496979
Energy: 0.6710990615278172
Energy: 0.5764325379968851
Energy: 0.5783286127749566
Energy: 0.5764325379984329
Energy: 0.6710990615262693
Energy: 0.576432537997659
Energy: 0.6514115993097876
Energy: 0.5780606546596354
Energy: 0.5798279173259202
Energy: 0.5780606546611832
Energy: 0.6513877877320702
Energy: 0.5780606546596354
Energy: 0.6013122118440826
Energy: 0.5982408991260526
Energy: 0.662472850697793
Energy: 0.5982408991252788
Energy: 0.6013122118471783
Energy: 0.5982408991252788
Energy: 0.5660967688664645
Energy: 0.5759713918221565
Energy: 0.6768290419307461
Energy: 0.5759713918229304
Energy: 0.5681721674921723
Energy: 0.5759713918221565
Energy: 0.6711827268634802
Energy: 0.5291567815735809
Energy: 0.6375638988424609
Energy: 0.5291567815689373
Energy: 0.6711827375753536
Energy: 0.529156781572033
Energy: 0.6272388747645163
Energy: 0.5936043544472545
Energy: 0.6710808597818748
Energy: 0.5936043544472545
Energy: 0.6272388747598728
Energy: 0.5936043544464805
Energy: 0.6298580485795336
Energy: 0.5582588061616461
Energy: 0.6486089309327697
Energy: 0.5582588061608722
Energy: 0.6298580280237855
Energy: 0.5582588061600983
Energy: 0.6106968573636908
Energy: 0.5473876918548227
Energy: 0.6630579176274009
Energy: 0.5473876918540488
Energy: 0.610601586124749
Energy: 0.5473876918555967
Energy: 0.67267361226095
Energy: 0.588719550082109
Energy: 0.6052491502222334
Energy: 0.5887195500805611
Energy: 0.6726736115407368
Energy: 0.5887195500805611
Energy: 0.5285267630766763
Energy: 0.6018714625608842
Energy: 0.6977019648891244
Energy: 0.6018714625593363
Energy: 0.5398519512170836
Energy: 0.6018714625585623
Energy: 0.6774739415124975
Energy: 0.5699182771470666
Energy: 0.6441259767218624
Energy: 0.5699182771470666
Energy: 0.6774739415155933
Energy: 0.5699182771470666
Energy: 0.5915648836013699
Energy: 0.5633399155750749
Energy: 0.6786721744173724
Energy: 0.563339915574301
Energy: 0.5915648836013699
Energy: 0.563339915574301
Energy: 0.6866917688521178
Energy: 0.5289457204783614
Energy: 0.5575292616964763
Energy: 0.5289457204799093
Energy: 0.6866917688335434
Energy: 0.5289457204806831
Energy: 0.6366340648991664
Energy: 0.6341115409521301
Energy: 0.7534003444719266
Energy: 0.6341115409529041
Energy: 0.6366340648968445
Energy: 0.6341115409513562
Energy: 0.6025371049036514
Energy: 0.6257391119362923
Energy: 0.6019826579711782
Energy: 0.6257391119362923
Energy: 0.601764853844037
Energy: 0.6257391119355183

minimum gb energy = 0.5285267630766763 eV
minimum distance =  2.26284779624352 Angstroms
sigma value = 41


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

Energy: 0.7183458336924745
Energy: 0.5701489440638501
Energy: 0.7695434713627982
Energy: 0.5701489440638501
Energy: 0.7183458336945876
Energy: 0.5701489440659631
Energy: 0.6017441715657468
Energy: 0.44155789696731335
Energy: 0.7223154520087169
Energy: 0.44155789697153947
Energy: 0.6017441715636337
Energy: 0.4415578969694264
Energy: 0.7145188907700859
Energy: 0.5847932165390166
Energy: 0.5966565532963659
Energy: 0.5847932165369035
Energy: 0.714518890772199
Energy: 0.5847932165369035
Energy: 0.6123812363662166
Energy: 0.4423997080404352
Energy: 0.7205648083627153
Energy: 0.4423997080404352
Energy: 0.6123812363662166
Energy: 0.4423997080404352
Energy: 0.7194997283027176
Energy: 0.5021388985330378
Energy: 0.5969099139555948
Energy: 0.5021388985330378
Energy: 0.7194997283027176
Energy: 0.5021388985351509
Energy: 0.6987517450678165
Energy: 0.4618447211489608
Energy: 0.596453855590972
Energy: 0.4618447211574131
Energy: 0.6987517450678165
Energy: 0.4618447211468477
Energy: 0.6666630052931329
Energy: 0.4417392137535236
Energy: 0.7116591264650494
Energy: 0.44173921375774977
Energy: 0.6666630052952459
Energy: 0.4417392137556367
Energy: 0.6941257887683273
Energy: 0.44176846682660426
Energy: 0.5963780578309208
Energy: 0.44176846683083043
Energy: 0.6941257887725534
Energy: 0.4417684668329434
Energy: 0.6021301138439689
Energy: 0.5023023211053181
Energy: 0.7115015389450082
Energy: 0.502302321103205
Energy: 0.6021301138439689
Energy: 0.502302321103205
Energy: 0.7052655619373196
Energy: 0.5291769184056194
Energy: 0.6674789909790859
Energy: 0.5291769184077324
Energy: 0.7052655619373196
Energy: 0.5291769184056194
Energy: 0.6534224813124387
Energy: 0.44069817571869796
Energy: 0.7377226951754746
Energy: 0.44069817571869796
Energy: 0.6534224813124387
Energy: 0.44069817571869796
Energy: 0.7145522329669769
Energy: 0.5882036624781468
Energy: 0.626252620884185
Energy: 0.5882036624718078
Energy: 0.71455223296909
Energy: 0.5882036624739208
Energy: 0.65334838458107
Energy: 0.4407466747839107
Energy: 0.7377503773247817
Energy: 0.4407466747839107
Energy: 0.653348384578957
Energy: 0.4407466747839107
Energy: 0.7038652739444158
Energy: 0.55057729250411
Energy: 0.6672393062494637
Energy: 0.55057729250411
Energy: 0.7038652739423027
Energy: 0.5505772925020449

minimum gb energy = 0.44069817571869796 eV
minimum distance =  2.26863183952143 Angstroms
sigma value = 11


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

Energy: 0.7478664547453853
Energy: 0.6236522236946164
Energy: 0.7698616178182293
Energy: 0.6236522236927597
Energy: 0.7478664547435289
Energy: 0.6236522236918315
Energy: 0.6306107579297392
Energy: 0.5848488863176521
Energy: 0.6789445967714574
Energy: 0.5848488863167238
Energy: 0.6306107579297392
Energy: 0.5848488863157956
Energy: 0.7114824728960254
Energy: 0.5460650487930456
Energy: 0.6901074566413414
Energy: 0.5460650487930456
Energy: 0.7114824728960254
Energy: 0.5460650487939738
Energy: 0.7140506213822018
Energy: 0.5548292813164847
Energy: 0.6705154028838444
Energy: 0.5548292813146282
Energy: 0.7140506213794171
Energy: 0.5548292813173918
Energy: 0.6600259140437014
Energy: 0.5597129880214992
Energy: 0.6445425862308891
Energy: 0.5597129880252123
Energy: 0.6600259140446295
Energy: 0.5597129880252123
Energy: 0.7273618753961842
Energy: 0.5643312457514509
Energy: 0.6481420964017738
Energy: 0.5643312457523791
Energy: 0.7273618753961842
Energy: 0.5643312457514509
Energy: 0.7146310439999107
Energy: 0.5741022592838355
Energy: 0.6822709573549874
Energy: 0.5741022592838355
Energy: 0.7146310440054804
Energy: 0.5741022592838355
Energy: 0.5748352192948589
Energy: 0.5665388815373033
Energy: 0.6713306685052423
Energy: 0.5665388815373033
Energy: 0.5747473658241224
Energy: 0.5665388815373033
Energy: 0.6427441992023801
Energy: 0.590757898495366
Energy: 0.6707177669061027
Energy: 0.5907578984944376
Energy: 0.6427441992005236
Energy: 0.590757898495366
Energy: 0.679889565262276
Energy: 0.5696679298314155
Energy: 0.6979561930599557
Energy: 0.5696679298314155
Energy: 0.6798895652604194
Energy: 0.5696679298342001
Energy: 0.6852791261278378
Energy: 0.5252301206779149
Energy: 0.7144757146473036
Energy: 0.5252301206779149
Energy: 0.6852791261269094
Energy: 0.525230120678843
Energy: 0.5767991902017662
Energy: 0.5638460833483988
Energy: 0.6587788595636324
Energy: 0.5638460833483988
Energy: 0.5767301172646887
Energy: 0.5638460833483988
Energy: 0.6792332320014987
Energy: 0.585696977781362
Energy: 0.7023668204862378
Energy: 0.585696977781362
Energy: 0.6792332320042834
Energy: 0.585696977781362
Energy: 0.6590294970136484
Energy: 0.6182130919430133
Energy: 0.63244409993415
Energy: 0.6182130919439416
Energy: 0.6590113878953039
Energy: 0.6182130919430133
Energy: 0.6851220220471188
Energy: 0.6171752957939776
Energy: 0.6512246102690061
Energy: 0.6171752957949058
Energy: 0.685122021408747
Energy: 0.6171752957949058
Energy: 0.6808293364769039
Energy: 0.5687243869135792
Energy: 0.6809482152947582
Energy: 0.5687243869135792
Energy: 0.6808293364713554
Energy: 0.5687243869135792
Energy: 0.6818854781544123
Energy: 0.5779879553482321
Energy: 0.6465973841157917
Energy: 0.5779879553463756
Energy: 0.681885478150699
Energy: 0.5779879553463756
Energy: 0.6500837707146542
Energy: 0.6173582914528396
Energy: 0.6863079640292461
Energy: 0.6173582914528396
Energy: 0.650083770713726
Energy: 0.6173582914528396
Energy: 0.7750530286579216
Energy: 0.6197211675172112
Energy: 0.7669116926772086
Energy: 0.6197211675181393
Energy: 0.7750530286579216
Energy: 0.6197211675190677
Energy: 0.6628854851594922
Energy: 0.5463161755882188
Energy: 0.679287599896269
Energy: 0.546316175589147
Energy: 0.662885485155779
Energy: 0.5463161755882188
Energy: 0.6423308860574375
Energy: 0.5657020267753109
Energy: 0.5846633367397842
Energy: 0.5657020267762392
Energy: 0.6423308799623684
Energy: 0.5657020267762392
Energy: 0.7038136215130824
Energy: 0.5255665472816102
Energy: 0.6808401347467256
Energy: 0.5255665472825385
Energy: 0.7038126897563064
Energy: 0.5255665472816102
Energy: 0.7080493944136859
Energy: 0.5699679938023224
Energy: 0.6789266502991455
Energy: 0.5699679938013942
Energy: 0.7080493944118292
Energy: 0.5699679938023224
Energy: 0.6708937631751511
Energy: 0.5941954570849522
Energy: 0.6312265528258783
Energy: 0.5941954570840239
Energy: 0.6708937631667966
Energy: 0.5941954570849522
Energy: 0.6693354687439727
Energy: 0.5650943757476764
Energy: 0.6498171206152893
Energy: 0.5650943757448916
Energy: 0.6693354687430444
Energy: 0.5650943757448916
Energy: 0.6963556406368163
Energy: 0.573107370546552
Energy: 0.6036798990147997
Energy: 0.5731073705446955
Energy: 0.6963556406386728
Energy: 0.5731073705446955
Energy: 0.6485713180147464
Energy: 0.5654842436086395
Energy: 0.6597340195753862
Energy: 0.5654842436086395
Energy: 0.6485713180156748
Energy: 0.5654842436086395
Energy: 0.7343983015913162
Energy: 0.5774597867530472
Energy: 0.7062614639196558
Energy: 0.5774597867539756
Energy: 0.7343983015913162
Energy: 0.5774597867539756
Energy: 0.6710266222411192
Energy: 0.5545040706906008
Energy: 0.7150180923027587
Energy: 0.5545040706906008
Energy: 0.6710267183991101
Energy: 0.5545040706906008
Energy: 0.6769895679155863
Energy: 0.5461874307504803
Energy: 0.7105750576154616
Energy: 0.5461874307513875
Energy: 0.6769895679091096
Energy: 0.5461874307513875
Energy: 0.6789267658622314
Energy: 0.5694669170832373
Energy: 0.6502289227167055
Energy: 0.5694669170860219
Energy: 0.6789267658603749
Energy: 0.5694669170850937

minimum gb energy = 0.5252301206779149 eV
minimum distance =  2.2673389287128 Angstroms
sigma value = 57


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

Energy: 0.6231925505015671
Energy: 0.5070120457808356
Energy: 0.8084949031925778
Energy: 0.5070120457808356
Energy: 0.6231925505015671
Energy: 0.5070120457808356
Energy: 0.648864405264349
Energy: 0.5166855725016928
Energy: 0.6873868154347625
Energy: 0.5166855724703074
Energy: 0.6488644052626972
Energy: 0.5166855725330405
Energy: 0.6970037273348056
Energy: 0.5205392227825296
Energy: 0.717250139532315
Energy: 0.5205392227825296
Energy: 0.6970037273348056
Energy: 0.5205392227825296
Energy: 0.6963545971419982
Energy: 0.6252551405002155
Energy: 0.6964468779195607
Energy: 0.6947664115926542
Energy: 0.6963545971419982
Energy: 0.6252551404985637
Energy: 0.717362550459197
Energy: 0.5205479372456996
Energy: 0.6971059033728856
Energy: 0.5205479372440476
Energy: 0.717362550459197
Energy: 0.5205479372440476
Energy: 0.6872672900958677
Energy: 0.5271548913851968
Energy: 0.6488749041350506
Energy: 0.5271548913835449
Energy: 0.6872672894634685
Energy: 0.5271548913835449
Energy: 0.8084949031925778
Energy: 0.5070120457808356
Energy: 0.6231925505015671
Energy: 0.5070120457808356
Energy: 0.8084949031925778
Energy: 0.5070120457808356
Energy: 0.6873868154265032
Energy: 0.5761897521072178
Energy: 0.648864405264349
Energy: 0.5761897521055659
Energy: 0.6873868150764593
Energy: 0.5761897521055659
Energy: 0.717250139532315
Energy: 0.5205392227825296
Energy: 0.6970037273364575
Energy: 0.5205392227841815
Energy: 0.7172501395356188
Energy: 0.5205392227825296
Energy: 0.6964468779162569
Energy: 0.6252551404985637
Energy: 0.6963545971403464
Energy: 0.5693499338129602
Energy: 0.6964468779228644
Energy: 0.6947664115943061
Energy: 0.6971059033728856
Energy: 0.5205479372423958
Energy: 0.7173625504625006
Energy: 0.5205479372423958
Energy: 0.6971059033728856
Energy: 0.5205479372440476
Energy: 0.6488749041350506
Energy: 0.5271548913835449
Energy: 0.6872672898795492
Energy: 0.5271548913835449
Energy: 0.648874904131747
Energy: 0.5271548913818931
Energy: 0.6231925505015671
Energy: 0.5070120457808356
Energy: 0.7829743250149763
Energy: 0.5070120457808356
Energy: 0.6231925505015671
Energy: 0.5070120457808356
Energy: 0.6488644052676528
Energy: 0.5195322764096055
Energy: 0.6873868154017254
Energy: 0.5195322764096055
Energy: 0.6488644052660009
Energy: 0.5195322764112573
Energy: 0.6970037273348056
Energy: 0.5205392227825296
Energy: 0.717250139532315
Energy: 0.5205392227825296
Energy: 0.6970037273364575
Energy: 0.5205392227808778
Energy: 0.6963545971419982
Energy: 0.5693499338426561
Energy: 0.6964468779179088
Energy: 0.6252551405002155
Energy: 0.6963545971403464
Energy: 0.569349933827827
Energy: 0.717362550459197
Energy: 0.5205479372407439
Energy: 0.6971059033728856
Energy: 0.5205479372423958
Energy: 0.7173625504625006
Energy: 0.5205479372456996

minimum gb energy = 0.5070120457808356 eV
minimum distance =  2.27316057948921 Angstroms
sigma value = 9


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

Energy: 0.7620006737015262
Energy: 0.5128662948139683
Energy: 0.8377715594147412
Energy: 0.5128662948126195
Energy: 0.7620006737001774
Energy: 0.5128662948112708
Energy: 0.7019404011817119
Energy: 0.5844503826410338
Energy: 0.6900343251414086
Energy: 0.5844503826410338
Energy: 0.7019404011817119
Energy: 0.5844503826410338
Energy: 0.6511542749432032
Energy: 0.540998002157538
Energy: 0.6505239829444872
Energy: 0.5409980021535225
Energy: 0.6511542749432032
Energy: 0.5409980021548713
Energy: 0.6531060605796717
Energy: 0.4989464053382601
Energy: 0.7537650871618361
Energy: 0.49894640533556267
Energy: 0.6531060605796717
Energy: 0.49894640533556267
Energy: 0.7133677641517081
Energy: 0.5816286207287586
Energy: 0.6418007864717395
Energy: 0.5816286207301075
Energy: 0.7133677641517081
Energy: 0.5816286207301075
Energy: 0.6532221327463137
Energy: 0.49783310338566544
Energy: 0.6723012531713793
Energy: 0.49783310338431674
Energy: 0.653222132744965
Energy: 0.49783310338431674
Energy: 0.6523140370128577
Energy: 0.5358532729007132
Energy: 0.6402277486327025
Energy: 0.5358532729020619
Energy: 0.6523140370128577
Energy: 0.5358532729020619
Energy: 0.7014836830056678
Energy: 0.593937304445972
Energy: 0.6643051286717674
Energy: 0.5939373044473208
Energy: 0.7014836830016217
Energy: 0.5939373044486694
Energy: 0.7619225695876043
Energy: 0.5340193570211836
Energy: 0.7301191230789896
Energy: 0.53401935702523
Energy: 0.7619225695876043
Energy: 0.5340193570238811
Energy: 0.6718899544909251
Energy: 0.5346399542383354
Energy: 0.6418412958378213
Energy: 0.5346399542396842
Energy: 0.6718899568258955
Energy: 0.5346399542396842
Energy: 0.6669377940943593
Energy: 0.488083044121039
Energy: 0.6696499277010969
Energy: 0.4880830441237365
Energy: 0.6669377940215582
Energy: 0.4880830441237365
Energy: 0.6533785997803051
Energy: 0.5549668063942538
Energy: 0.755529503432159
Energy: 0.5549668063942538
Energy: 0.6533785997749101
Energy: 0.5549668063942538
Energy: 0.6667613750215364
Energy: 0.554522366021909
Energy: 0.7367457830648324
Energy: 0.5545223660232576
Energy: 0.6667613750188388
Energy: 0.5545223660232576
Energy: 0.7286338621015199
Energy: 0.5231400012217982
Energy: 0.7242004235466145
Energy: 0.5231400012258444
Energy: 0.7286338621001712
Energy: 0.5231400012244956
Energy: 0.708823662109252
Energy: 0.5128385517424104
Energy: 0.6412442858735227
Energy: 0.5128385517437591
Energy: 0.7088227544967657
Energy: 0.5128385517464565
Energy: 0.5119250134875678
Energy: 0.5365848519173207
Energy: 0.7276340811216647
Energy: 0.5365848519200184
Energy: 0.5661519636734014
Energy: 0.5365848519186696
Energy: 0.555648518919259
Energy: 0.5413143918438936
Energy: 0.7302261437214569
Energy: 0.5413143918425448
Energy: 0.5612353003714378
Energy: 0.5413143918438936
Energy: 0.8137797386886696
Energy: 0.513001943878103
Energy: 0.641793093744196
Energy: 0.513001943878103
Energy: 0.8137797386846234
Energy: 0.513001943878103
Energy: 0.6523152286794506
Energy: 0.49686557142958887
Energy: 0.7263995163061874
Energy: 0.4968655714255427
Energy: 0.6523152286821481
Energy: 0.4968655714268914
Energy: 0.6525517773763034
Energy: 0.5716169843865943
Energy: 0.6964737980812031
Energy: 0.5716169843879428
Energy: 0.6525517773790009
Energy: 0.5716169843879428
Energy: 0.6525433488106268
Energy: 0.5064790231386962
Energy: 0.7575956039775132
Energy: 0.5064790231427423
Energy: 0.6525433488079293
Energy: 0.5064790231427423

minimum gb energy = 0.488083044121039 eV
minimum distance =  2.28136884380716 Angstroms
sigma value = 27


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

Energy: 0.7590530445543324
Energy: 0.5323133487977596
Energy: 0.7739113052198354
Energy: 0.5323133488000333
Energy: 0.7590530445554693
Energy: 0.5323133487988965
Energy: 0.6581025737555213
Energy: 0.5351158403763888
Energy: 0.5669516747908816
Energy: 0.535115840375252
Energy: 0.658102573757795
Energy: 0.5351158403763888
Energy: 0.5898472641037382
Energy: 0.5346988980950804
Energy: 0.6147071200645139
Energy: 0.5346988980962174
Energy: 0.5898472640980538
Energy: 0.5346988980962174
Energy: 0.5951631214735776
Energy: 0.5272127541499113
Energy: 0.6949853631952745
Energy: 0.5272127541533219
Energy: 0.5951631214735776
Energy: 0.5272127541533219
Energy: 0.5792203822213965
Energy: 0.5554792840963729
Energy: 0.632836079084117
Energy: 0.5554792841009204
Energy: 0.5792203822202596
Energy: 0.5554792841009204
Energy: 0.6166880833287639
Energy: 0.5225397516784381
Energy: 0.6160290875579818
Energy: 0.5225397516761644
Energy: 0.6166880833276271
Energy: 0.5225397516761644
Energy: 0.5664210635601089
Energy: 0.5195130036192017
Energy: 0.6073564499942734
Energy: 0.5195130036203386
Energy: 0.5664210635578353
Energy: 0.5195130036203386
Energy: 0.5684368823824486
Energy: 0.5221116244345081
Energy: 0.6204854180196323
Energy: 0.5221116244333711
Energy: 0.5684368823835855
Energy: 0.5221116244333711
Energy: 0.7602359635875929
Energy: 0.5139375485047882
Energy: 0.8266334759530086
Energy: 0.5139375485070621
Energy: 0.7602359635887298
Energy: 0.5139375485070621
Energy: 0.5553679936497442
Energy: 0.5431989149960537
Energy: 0.604472021118304
Energy: 0.5431989149949425
Energy: 0.5553679936486074
Energy: 0.5431989149960537
Energy: 0.5874299323591043
Energy: 0.5551850072598391
Energy: 0.5700627320659082
Energy: 0.5551850072621127
Energy: 0.5874299323602412
Energy: 0.5551850072621127
Energy: 0.7605230074605137
Energy: 0.5161553802134214
Energy: 0.6185116945762595
Energy: 0.5161553802134214
Energy: 0.760523007457103
Energy: 0.5161553802122846
Energy: 0.6598667155983747
Energy: 0.5616422298448064
Energy: 0.6195021870948029
Energy: 0.5616422298436695
Energy: 0.6598667155983747
Energy: 0.5616422298448064
Energy: 0.5489926666413806
Energy: 0.5343736675836958
Energy: 0.6212117437279648
Energy: 0.5343736675802851
Energy: 0.5489926666459023
Energy: 0.5343736675802851
Energy: 0.6308887291260081
Energy: 0.5098157556846182
Energy: 0.6196884495891197
Energy: 0.5098157556868921
Energy: 0.6308887291214605
Energy: 0.5098157556868921
Energy: 0.54976939063222
Energy: 0.555479284104331
Energy: 0.5862738113989119
Energy: 0.5554792840963729
Energy: 0.549769390631083
Energy: 0.5554792840963729
Energy: 0.5951625052008843
Energy: 0.5273078753198764
Energy: 0.6808148348109677
Energy: 0.5273078753210133
Energy: 0.5951625051997474
Energy: 0.5273078753210133
Energy: 0.6235133443651258
Energy: 0.5340428446695618
Energy: 0.5670905481675174
Energy: 0.5340428446752462
Energy: 0.6235133443605784
Energy: 0.5340428446752462
Energy: 0.628538297311812
Energy: 0.582959672556974
Energy: 0.5760850729512152
Energy: 0.5829596725558371
Energy: 0.6285382973140858
Energy: 0.582959672556974
Energy: 0.7590530445566063
Energy: 0.5323133487977596
Energy: 0.7739164809270516
Energy: 0.5323133487988965
Energy: 0.7590530445554693
Energy: 0.5323133488000333
Energy: 0.6581025737566581
Energy: 0.535115840375252
Energy: 0.5675944636572384
Energy: 0.535115840375252
Energy: 0.658102573757795
Energy: 0.535115840375252
Energy: 0.5898472641026012
Energy: 0.5346988980939436
Energy: 0.6147071200622659
Energy: 0.5346988980973543
Energy: 0.5898472641014644
Energy: 0.5346988980973543
Energy: 0.5951631214758514
Energy: 0.5272127541487743
Energy: 0.6810481152043408
Energy: 0.5272127541533219
Energy: 0.5951631214758514
Energy: 0.5272127541533219
Energy: 0.5792203822236703
Energy: 0.5554792840963729
Energy: 0.6328360790852539
Energy: 0.5554792841009204
Energy: 0.5792203822248072
Energy: 0.5554792840997834
Energy: 0.6166880833299008
Energy: 0.5225397516773013
Energy: 0.616029087555708
Energy: 0.5225397516750275
Energy: 0.6166880833299008
Energy: 0.5225397516750275

minimum gb energy = 0.5098157556846182 eV
minimum distance =  2.28234072465961 Angstroms
sigma value = 19


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

Energy: 0.7585780622408757
Energy: 0.516946978225278
Energy: 0.9346141677277169
Energy: 0.5169469782262593
Energy: 0.7585780622399165
Energy: 0.516946978225278
Energy: 0.6804801440378312
Energy: 0.5698800138775207
Energy: 0.5697527665947754
Energy: 0.5698800138765394
Energy: 0.680480144039794
Energy: 0.5698800138765394
Energy: 0.6056662967608759
Energy: 0.49537690694655817
Energy: 0.569997149046294
Energy: 0.49537690694557684
Energy: 0.6056662967618571
Energy: 0.49537690694557684
Energy: 0.6999294893799528
Energy: 0.5100501762278602
Energy: 0.6055483578148484
Energy: 0.5100501762278602
Energy: 0.6999294893779902
Energy: 0.5100501762278602
Energy: 0.701190167119765
Energy: 0.5066557790813194
Energy: 0.6998107737346695
Energy: 0.5066557790813194
Energy: 0.7011901250581524
Energy: 0.506655779080338
Energy: 0.5827131507942824
Energy: 0.5312296841950706
Energy: 0.7336961580900306
Energy: 0.5312296841940892
Energy: 0.5827131507952638
Energy: 0.5312296841940892
Energy: 0.670219855227518
Energy: 0.5624369223081518
Energy: 0.7095491784016139
Energy: 0.5624369223101146
Energy: 0.6702198367088125
Energy: 0.5624369223101146
Energy: 0.6528212619937602
Energy: 0.4980312675167003
Energy: 0.7307716595511072
Energy: 0.49803126751866306
Energy: 0.6528213643747632
Energy: 0.49803126751866306
Energy: 0.6989878447757902
Energy: 0.506284685151186
Energy: 0.6722352983776748
Energy: 0.5062846851531486
Energy: 0.6989878447748088
Energy: 0.5062846851531486
Energy: 0.5588547914753567
Energy: 0.548785954746978
Energy: 0.569565009259182
Energy: 0.5487859547459968
Energy: 0.5739204509650734
Energy: 0.548785954746978
Energy: 0.6951378044708613
Energy: 0.49629737511987276
Energy: 0.7800761895426862
Energy: 0.49629737511987276
Energy: 0.6951378044728016
Energy: 0.49629737511987276
Energy: 0.7598987703702953
Energy: 0.49671941808369985
Energy: 0.5696928288800361
Energy: 0.49671941808468123
Energy: 0.7598987703516497
Energy: 0.49671941808369985
Energy: 0.4871139330936395
Energy: 0.590740833013955
Energy: 0.570835684357537
Energy: 0.5907408330168991
Energy: 0.4871139330965836
Energy: 0.5907408330178803
Energy: 0.6057495845250623
Energy: 0.4958816085129547
Energy: 0.6942317355255079
Energy: 0.4958816085119733
Energy: 0.6057495845230997
Energy: 0.49588160851099194
Energy: 0.7225387994798609
Energy: 0.5093557883326872
Energy: 0.5704852826689562
Energy: 0.5093557883326872
Energy: 0.7225387079732677
Energy: 0.5093557883336687
Energy: 0.7244064722591163
Energy: 0.5316619833189977
Energy: 0.5712842536204958
Energy: 0.5316619833189977
Energy: 0.7244064722630417
Energy: 0.531661983319979
Energy: 0.5825098092458123
Energy: 0.5127576942141407
Energy: 0.539234751530437
Energy: 0.5127576942151221
Energy: 0.5825098092458123
Energy: 0.5127576942151221
Energy: 0.7259074829306775
Energy: 0.6163919157324149
Energy: 0.5393519977604131
Energy: 0.616391915735359
Energy: 0.7259074829306775
Energy: 0.6163919157363402
Energy: 0.5825143905410014
Energy: 0.5127025214326069
Energy: 0.5392240298625399
Energy: 0.5127025214296628
Energy: 0.5825143905449268
Energy: 0.5127025214296628
Energy: 0.7191026514226487
Energy: 0.5317339847341197
Energy: 0.5713817392296721
Energy: 0.5317339847341197
Energy: 0.7191026514089099
Energy: 0.5317339847341197
Energy: 0.7230831163448461
Energy: 0.520676223531248
Energy: 0.5704608832046645
Energy: 0.5206762235322293
Energy: 0.723083115356091
Energy: 0.520676223531248
Energy: 0.6057619533006823
Energy: 0.4958096019676452
Energy: 0.6941321404132759
Energy: 0.49580960196666385
Energy: 0.6057619533036264
Energy: 0.49580960196666385
Energy: 0.48687248588993626
Energy: 0.5906920342668324
Energy: 0.5708643013065571
Energy: 0.5906920342687951
Energy: 0.4868724858909176
Energy: 0.5906920342687951
Energy: 0.7602953534000303
Energy: 0.5351200125483754
Energy: 0.5696590041276027
Energy: 0.535120012547394
Energy: 0.760295353399049
Energy: 0.5351200125483754
Energy: 0.6952336657706888
Energy: 0.49618103447520157
Energy: 0.7775201444882305
Energy: 0.49618103447520157
Energy: 0.6952336657706888
Energy: 0.49618103447520157
Energy: 0.5748663924403679
Energy: 0.548761640807637
Energy: 0.5695101742428474
Energy: 0.5487616408086182
Energy: 0.5490350234702936
Energy: 0.5487616408086182
Energy: 0.6990490817679
Energy: 0.506237541279665
Energy: 0.6722352983786563
Energy: 0.5062375412786836
Energy: 0.6990490817688815
Energy: 0.5062375412786836
Energy: 0.6529689084667716
Energy: 0.4980267818577603
Energy: 0.7309165404068816
Energy: 0.49802678185579763
Energy: 0.6528183446348911
Energy: 0.49802678185579763
Energy: 0.6702051819724156
Energy: 0.5624369223101146
Energy: 0.7088727839084805
Energy: 0.5624369223091332
Energy: 0.670205179091461
Energy: 0.5624369223091332

minimum gb energy = 0.48687248588993626 eV
minimum distance =  2.27820571737263 Angstroms
sigma value = 101


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

Energy: 0.8360308052126258
Energy: 0.531034214018884
Energy: 0.9072845760092156
Energy: 0.5310342140197466
Energy: 0.836030805210038
Energy: 0.531034214018884
Energy: 0.595439088108636
Energy: 0.6118539850702641
Energy: 0.6179120632111449
Energy: 0.6118539850711268
Energy: 0.5954390881094987
Energy: 0.6118539850719894
Energy: 0.6483570535569543
Energy: 0.5317235954549678
Energy: 0.7002182570015383
Energy: 0.5317235954549678
Energy: 0.6483570535535036
Energy: 0.5317235954532427
Energy: 0.7251966213943718
Energy: 0.5443199500980149
Energy: 0.726480756644275
Energy: 0.5443199500980149
Energy: 0.7251966213926464
Energy: 0.5443199500980149
Energy: 0.6222076182673496
Energy: 0.5581595950984395
Energy: 0.6519648120263053
Energy: 0.5581595950975768
Energy: 0.6222076182656241
Energy: 0.5581595950984395
Energy: 0.6460504592987897
Energy: 0.4928912607345621
Energy: 0.6138254022024364
Energy: 0.4928912607345621
Energy: 0.6460504592625975
Energy: 0.49289126073369943
Energy: 0.6383660465819642
Energy: 0.5188438990831895
Energy: 0.6009149724980423
Energy: 0.5188438990831895
Energy: 0.638366046577651
Energy: 0.518843899082327
Energy: 0.7252837094387518
Energy: 0.5247778062125155
Energy: 0.6510239153221189
Energy: 0.5247778062133781
Energy: 0.7252837094404769
Energy: 0.5247778062125155
Energy: 0.6135882105177813
Energy: 0.5011482518665235
Energy: 0.6460894503910813
Energy: 0.5011482518656609
Energy: 0.6135882066375588
Energy: 0.5011482518656609
Energy: 0.6108150344671758
Energy: 0.4783554891716118
Energy: 0.6210057048662522
Energy: 0.4783554891707492
Energy: 0.6108591855561981
Energy: 0.4783554891716118
Energy: 0.6909499115237114
Energy: 0.475008502433862
Energy: 0.7170752729783095
Energy: 0.475008502433862
Energy: 0.6909500241588642
Energy: 0.475008502433862
Energy: 0.6187658701738341
Energy: 0.532685345610164
Energy: 0.6220002671812177
Energy: 0.5326853456127519
Energy: 0.6187658701634821
Energy: 0.5326853456127519
Energy: 0.7002827072713093
Energy: 0.52895635479672
Energy: 0.7432499869401048
Energy: 0.5289563547984452
Energy: 0.7002827072661332
Energy: 0.5289563547984452
Energy: 0.7455105809010041
Energy: 0.53764972165284
Energy: 0.8382944434296984
Energy: 0.5376497216519773
Energy: 0.7455105809018667
Energy: 0.5376497216519773
Energy: 0.6143498833289699
Energy: 0.6179644490271082
Energy: 0.5897148862821436
Energy: 0.6179644490279709
Energy: 0.6143498833272447
Energy: 0.6179644490262456
Energy: 0.7155443527897366
Energy: 0.5282322274751656
Energy: 0.6498335183273696
Energy: 0.5282322274760283
Energy: 0.7155443527905991
Energy: 0.5282322274760283
Energy: 0.6137785088923624
Energy: 0.5469961291117497
Energy: 0.54190045237374
Energy: 0.5469961291117497
Energy: 0.6137785088871863
Energy: 0.5469961291117497
Energy: 0.6515329602015438
Energy: 0.5561678068710988
Energy: 0.6120523341182007
Energy: 0.5561678068719614
Energy: 0.6515329602006812
Energy: 0.5561678068719614
Energy: 0.6141137615662388
Energy: 0.48663418115246393
Energy: 0.6303363701378487
Energy: 0.4866341811533265
Energy: 0.6141137615645135
Energy: 0.48663418115246393
Energy: 0.600291570053677
Energy: 0.6127501017290355
Energy: 0.6820700533946684
Energy: 0.6127501017273103
Energy: 0.6002915700571275
Energy: 0.6127501017281729
Energy: 0.6410011948970255
Energy: 0.5170148950448418
Energy: 0.6333564332089855
Energy: 0.5170148950448418
Energy: 0.6410011949022014
Energy: 0.5170148950448418
Energy: 0.6341552587734812
Energy: 0.4766403710963785
Energy: 0.5830498893441617
Energy: 0.47664037109465324
Energy: 0.6341552587708933
Energy: 0.47664037109465324
Energy: 0.6499454605374761
Energy: 0.4774555783339912
Energy: 0.6139924357294274
Energy: 0.4774555783331285
Energy: 0.6499454604426232
Energy: 0.4774555783331285
Energy: 0.7252035079435908
Energy: 0.5638158137892106
Energy: 0.6911211066992985
Energy: 0.5638158137900733
Energy: 0.7252035079435908
Energy: 0.5638158137892106
Energy: 0.622905673852459
Energy: 0.5744810190019172
Energy: 0.6143155055683939
Energy: 0.5744810190036425
Energy: 0.6229056738498709
Energy: 0.5744810190036425
Energy: 0.6146318082138871
Energy: 0.5278395439672287
Energy: 0.7154318094298273
Energy: 0.5278395439680913
Energy: 0.6142238975839684
Energy: 0.5278395439672287
Energy: 0.6281538953069338
Energy: 0.581449133713399
Energy: 0.6136576174285938
Energy: 0.5814491337116737
Energy: 0.6281537177771777
Energy: 0.5814491337125364
Energy: 0.6086873977050131
Energy: 0.5659339303424451
Energy: 0.6145047974627471
Energy: 0.5659339303424451
Energy: 0.608687397710189
Energy: 0.5659339303424451
Energy: 0.7566433520585909
Energy: 0.5248495084299782
Energy: 0.7129016985605732
Energy: 0.5248495084317035
Energy: 0.7566433508876544
Energy: 0.5248495084317035
Energy: 0.566375912240048
Energy: 0.5448912825308472
Energy: 0.6142613673014282
Energy: 0.5448912825299845
Energy: 0.5660036449334764
Energy: 0.5448912825317098
Energy: 0.6984147846323631
Energy: 0.5560914134185566
Energy: 0.6514719970990784
Energy: 0.5560914134185566
Energy: 0.6984147836036468
Energy: 0.5560914134185566
Energy: 0.6865740352432272
Energy: 0.47933701617239516
Energy: 0.6144155855540293
Energy: 0.47933701617325775
Energy: 0.6865740352449525
Energy: 0.47933701617239516
Energy: 0.5489461277135037
Energy: 0.5590145724099103
Energy: 0.7002327642769224
Energy: 0.5590145724107728
Energy: 0.5560997804900062
Energy: 0.5590145724090475

minimum gb energy = 0.475008502433862 eV
minimum distance =  2.27906381592965 Angstroms
sigma value = 33


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

Energy: 0.014210756814081809
Energy: 0.015267914657900538
Energy: 1.2418886150547066
Energy: 0.015267914659294222
Energy: 0.014210756814081809
Energy: 0.015267914655790102
Energy: 0.014803796695957688
Energy: 0.23485973804336374
Energy: 0.014803796695280756
Energy: 0.23485973804336374
Energy: 0.014803796695280756
Energy: 0.23485973804336374
Energy: 1.2418886150540296
Energy: 0.015267914657900538
Energy: 0.014210756814081809
Energy: 0.01526791465861729
Energy: 1.241888615053313
Energy: 0.015267914657900538
Energy: 0.014803796695280756
Energy: 0.23485973804336374
Energy: 0.014803796695280756
Energy: 0.23485973804336374
Energy: 0.014803796695280756
Energy: 0.23485973804336374

minimum gb energy = 0.014210756814081809 eV
minimum distance =  2.35592815104729 Angstroms
sigma value = 1