Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9946166351437573
cohesive_energy=3.28511992291482
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: -6.30324000329931e-20 eV

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

Energy: 0.010392857622513015
Energy: 0.01063904368285364
Energy: 0.4235122024894219
Energy: 0.01063904368285364
Energy: 0.01063904368285364
Energy: 0.4473982407126506
Energy: 0.01063904368285364
Energy: 0.4473982407126506
Energy: 0.4235122024894219
Energy: 0.01063904368285364
Energy: 0.010392857622513015
Energy: 0.01063904368285364
Energy: 0.01063904368285364
Energy: 0.4473982407126506
Energy: 0.01063904368285364
Energy: 0.4473982407126506

minimum gb energy = 0.010392857622513015 eV
minimum distance =  2.69834271402104 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.46676822312240623
Energy: 0.48829636980683166
Energy: 0.42236709521848864
Energy: 0.48829636980620866
Energy: 0.44883321323893777
Energy: 0.4795340969737314
Energy: 0.44955589934582596
Energy: 0.4795340969737314
Energy: 0.4271263937084046
Energy: 0.4828223486320546
Energy: 0.4524429416013445
Energy: 0.4828223486320546
Energy: 0.44219852426103473
Energy: 0.4936560814645168
Energy: 0.4426485699570074
Energy: 0.4936560814645168
Energy: 0.4430217950586546
Energy: 0.48894580949874444
Energy: 0.44204222911322194
Energy: 0.48894580949874444
Energy: 0.42577830943650413
Energy: 0.47567912134163304
Energy: 0.42953729228249743
Energy: 0.47567912134163304
Energy: 0.4498291891396972
Energy: 0.4843559506729721
Energy: 0.4267577407630585
Energy: 0.4843559506729721
Energy: 0.3959746003865013
Energy: 0.4895059435108435
Energy: 0.42700812962012374
Energy: 0.4895059435108435
Energy: 0.4424725441993514
Energy: 0.4492381797484221
Energy: 0.4479764407906926
Energy: 0.4492381797484221
Energy: 0.43225754076633477
Energy: 0.4824148861703722
Energy: 0.391701504705091
Energy: 0.4824148861703722
Energy: 0.44445688673301753
Energy: 0.4784651338461109
Energy: 0.44275940234348343
Energy: 0.4784651338461109
Energy: 0.43252095494440546
Energy: 0.4891758512103043
Energy: 0.4380364400143078
Energy: 0.4891758512103043
Energy: 0.448698810843868
Energy: 0.4825919026566075
Energy: 0.44995738967687615
Energy: 0.4825919026572305
Energy: 0.4503300720326062
Energy: 0.48612100684219456
Energy: 0.4406636418144687
Energy: 0.48612100684219456
Energy: 0.44222797586368884
Energy: 0.48959078769297903
Energy: 0.4487277788894292
Energy: 0.48959078769297903
Energy: 0.4448612265172558
Energy: 0.48979131201676873
Energy: 0.45366130853576364
Energy: 0.48979131201676873
Energy: 0.4523716033606257
Energy: 0.48289532203262986
Energy: 0.4109013500933044
Energy: 0.48289532203262986
Energy: 0.4495959037417035
Energy: 0.4829864950186936
Energy: 0.4489205117349621
Energy: 0.4829864950186936
Energy: 0.4129607937115282
Energy: 0.4889654214374919
Energy: 0.4389176983288444
Energy: 0.4889654214374919
Energy: 0.4516244740095386
Energy: 0.4494317496330656
Energy: 0.4430568672970282
Energy: 0.4494317496330656
Energy: 0.4306401325075577
Energy: 0.48286385643454505
Energy: 0.41219353743606535
Energy: 0.48286385643454505
Energy: 0.4426052572683528
Energy: 0.48398289100174335
Energy: 0.44199942902034045
Energy: 0.48398289100174335
Energy: 0.4419736704703427
Energy: 0.4888235135698161
Energy: 0.41965855781935624
Energy: 0.4888235135698161
Energy: 0.4356689978785938
Energy: 0.48397957671483194
Energy: 0.4258540045225324
Energy: 0.48397957671483194
Energy: 0.4265259492848891
Energy: 0.4745289370296645
Energy: 0.44974564231544717
Energy: 0.4745289370296645
Energy: 0.4447118256283646
Energy: 0.48935745737447256
Energy: 0.4191892800502635
Energy: 0.48935745737447256
Energy: 0.44570005844319294
Energy: 0.4854017827119737
Energy: 0.44262034687094426
Energy: 0.4854017827119737
Energy: 0.4169909306045051
Energy: 0.48283755588891286
Energy: 0.4486361921147451
Energy: 0.48283755588891286
Energy: 0.44867662620908105
Energy: 0.48922153206878205
Energy: 0.44176215614083103
Energy: 0.48922153206878205
Energy: 0.45696363093547226
Energy: 0.48884754124137786
Energy: 0.43303478942634116
Energy: 0.48884754124137786
Energy: 0.4531207416085571
Energy: 0.48605909610574416
Energy: 0.4488590014484339
Energy: 0.48605909610574416
Energy: 0.4391815696723565
Energy: 0.48299088086284153
Energy: 0.4502366332219746
Energy: 0.48299088086284153
Energy: 0.44303528822051713
Energy: 0.4928871747408007
Energy: 0.443915685920202
Energy: 0.4928871747408007

minimum gb energy = 0.391701504705091 eV
minimum distance =  2.51619753717245 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.4971441391320616
Energy: 0.5230293349413047
Energy: 0.4496024344880408
Energy: 0.5230293349413047
Energy: 0.4659310244098808
Energy: 0.5097287226632379
Energy: 0.47527307421837944
Energy: 0.5097287226632379
Energy: 0.41358900331699494
Energy: 0.5241753320542267
Energy: 0.4741781331913494
Energy: 0.5241753320542267
Energy: 0.4596119610139077
Energy: 0.49602542047327713
Energy: 0.449173334896454
Energy: 0.49602542047398746
Energy: 0.45968700195123885
Energy: 0.5157184950663789
Energy: 0.47271046881820833
Energy: 0.5157184950656688
Energy: 0.4698401979365213
Energy: 0.5160024887713233
Energy: 0.4473365846569183
Energy: 0.5160024887713233
Energy: 0.46589289424910396
Energy: 0.47227240193033976
Energy: 0.4604770781565322
Energy: 0.47227240193033976
Energy: 0.413662843411265
Energy: 0.5239706571303331
Energy: 0.4380284586877927
Energy: 0.5239706571303331
Energy: 0.46012429101810776
Energy: 0.4833164808004084
Energy: 0.4743960147181715
Energy: 0.4833164808004084
Energy: 0.463424042470966
Energy: 0.5241357007402064
Energy: 0.43833434984978625
Energy: 0.5241357007402064
Energy: 0.465851880165341
Energy: 0.4991813037741306
Energy: 0.47539028145465134
Energy: 0.4991813037741306
Energy: 0.43697018462169973
Energy: 0.5194786408362626
Energy: 0.47419137253643856
Energy: 0.5194786408362626
Energy: 0.48373215351325
Energy: 0.5151434516291571
Energy: 0.4652715487340974
Energy: 0.5151434516291571
Energy: 0.4837761334645103
Energy: 0.5152903974421046
Energy: 0.47074786608885233
Energy: 0.5152903974421046
Energy: 0.4368829885078103
Energy: 0.5196253506142325
Energy: 0.4736952231262799
Energy: 0.5196253506142325
Energy: 0.4658808298222006
Energy: 0.4990401489191965
Energy: 0.4717226226553304
Energy: 0.4990401489191965
Energy: 0.4634140803501017
Energy: 0.5241183459529326
Energy: 0.4381742595606976
Energy: 0.5241183459536429
Energy: 0.460110765676772
Energy: 0.48309339526097694
Energy: 0.4743102622590869
Energy: 0.48309339526097694
Energy: 0.41336763725179404
Energy: 0.5240767477643656
Energy: 0.45626959684869856
Energy: 0.5240767477643656
Energy: 0.4657908522339636
Energy: 0.4713337775941725
Energy: 0.44920543242488253
Energy: 0.4713337775941725
Energy: 0.4698703980676172
Energy: 0.5160203402662754
Energy: 0.46790672118295723
Energy: 0.5160203402662754
Energy: 0.4597170364873443
Energy: 0.5160129678364057
Energy: 0.45096302442325065
Energy: 0.5160129678364057
Energy: 0.45970361857449543
Energy: 0.4962170673080516
Energy: 0.4716853743301347
Energy: 0.4962170673080516
Energy: 0.4134989438872397
Energy: 0.5243515267479487
Energy: 0.4738198376815144
Energy: 0.5243515267479487
Energy: 0.46591818409982483
Energy: 0.5102903267660727
Energy: 0.47525792836622643
Energy: 0.5102903267660727
Energy: 0.4971441391320616
Energy: 0.5230293349413047
Energy: 0.46074749223959827
Energy: 0.5230293349413047
Energy: 0.46593102440917056
Energy: 0.5097287226632379
Energy: 0.47527307421837944
Energy: 0.5097287226632379
Energy: 0.41358900331699494
Energy: 0.5241753320542267
Energy: 0.4741781331913494
Energy: 0.5241753320542267
Energy: 0.4596119610139077
Energy: 0.49602542047398746
Energy: 0.449173334896454
Energy: 0.49602542047398746

minimum gb energy = 0.41336763725179404 eV
minimum distance =  2.50261018066574 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.5126180461578803
Energy: 0.5526655467402584
Energy: 0.48067293996271465
Energy: 0.5526655467402584
Energy: 0.4736303746871784
Energy: 0.5283197969661797
Energy: 0.4943350778240073
Energy: 0.5283197969661797
Energy: 0.4386596931229067
Energy: 0.5666641648527722
Energy: 0.4963768463847422
Energy: 0.5666641648527722
Energy: 0.48975413485637426
Energy: 0.5394962579275794
Energy: 0.4735732070101657
Energy: 0.5394962579267536
Energy: 0.474341691622906
Energy: 0.5540710795692356
Energy: 0.46051031063887116
Energy: 0.5540710795700613
Energy: 0.5075129813640831
Energy: 0.5680547636106366
Energy: 0.4725843661079015
Energy: 0.5680547636106366
Energy: 0.4733975124916623
Energy: 0.4979844699931936
Energy: 0.4868091495226819
Energy: 0.4979844699931936
Energy: 0.5044884267323437
Energy: 0.5533307355199636
Energy: 0.4486851395664139
Energy: 0.5533307355199636
Energy: 0.48683300942785407
Energy: 0.5282632175284961
Energy: 0.4732553342328743
Energy: 0.5282632175284961
Energy: 0.49962563855578385
Energy: 0.567842763805267
Energy: 0.4672227162784641
Energy: 0.567842763805267
Energy: 0.46766097665777717
Energy: 0.5535937204982988
Energy: 0.4944332337969749
Energy: 0.5535937204982988
Energy: 0.4483763275043809
Energy: 0.5541096043971817
Energy: 0.4954954620691473
Energy: 0.5541096043971817
Energy: 0.49636139115009015
Energy: 0.538712125509736
Energy: 0.46799650686808464
Energy: 0.538712125509736
Energy: 0.4879041305891762
Energy: 0.4977854703159342
Energy: 0.4742573662143862
Energy: 0.4977854703159342
Energy: 0.45317205137003025
Energy: 0.5533475503759205
Energy: 0.4477045238383582
Energy: 0.5533475503759205
Energy: 0.4945129044418352
Energy: 0.49811340135865023
Energy: 0.474071529722525
Energy: 0.49811340135865023
Energy: 0.4386409774000682
Energy: 0.5667950665279609
Energy: 0.43844439319015976
Energy: 0.5667950665279609
Energy: 0.47395105377991537
Energy: 0.507910137693412
Energy: 0.4672815734490882
Energy: 0.507910137693412
Energy: 0.49044381434889145
Energy: 0.5385965813973959
Energy: 0.47450786861730176
Energy: 0.5385965813973959
Energy: 0.4725561945910405
Energy: 0.5674466148839109
Energy: 0.4948158960198041
Energy: 0.5674466148839109
Energy: 0.5010683040319827
Energy: 0.5321349875931962
Energy: 0.49618183144772715
Energy: 0.532134987594022
Energy: 0.511493596804139
Energy: 0.5531162756849567
Energy: 0.4975757889795656
Energy: 0.5531162756849567
Energy: 0.49969274232717736
Energy: 0.5340665843638527
Energy: 0.4943980910307137
Energy: 0.5340665843638527
Energy: 0.4385280409500046
Energy: 0.5670084683908714
Energy: 0.49969776048499326
Energy: 0.5670084683908714
Energy: 0.4945382315540327
Energy: 0.5017152637905339
Energy: 0.4733754904547462
Energy: 0.5017152637905339

minimum gb energy = 0.43844439319015976 eV
minimum distance =  2.51400360527631 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.5810068133922119
Energy: 0.5832279482992618
Energy: 0.5159401659056119
Energy: 0.5832279482992618
Energy: 0.5197690691706338
Energy: 0.5769621703363886
Energy: 0.5265942175783254
Energy: 0.5769621703363886
Energy: 0.49997278114201305
Energy: 0.5473074380337061
Energy: 0.5350590546439428
Energy: 0.5473074380337061
Energy: 0.5422482051963478
Energy: 0.5881146751977989
Energy: 0.4841809287038456
Energy: 0.5881146751977989
Energy: 0.5482509441765118
Energy: 0.57629953164854
Energy: 0.5228895677904435
Energy: 0.57629953164854
Energy: 0.4872179263650375
Energy: 0.5439879205839788
Energy: 0.48037388036008294
Energy: 0.5439879205829938
Energy: 0.5411091078230856
Energy: 0.48393477203676105
Energy: 0.48448837397254807
Energy: 0.48393477203676105
Energy: 0.4843771596007392
Energy: 0.5439773579818553
Energy: 0.5030249890143732
Energy: 0.5439773579818553
Energy: 0.5411125516584084
Energy: 0.5763109849473097
Energy: 0.5059848390749062
Energy: 0.5763109849473097
Energy: 0.5427690343675516
Energy: 0.5814071521891906
Energy: 0.48401689723410635
Energy: 0.5814071521891906
Energy: 0.5043106535554629
Energy: 0.5777628530815725
Energy: 0.5261843925244624
Energy: 0.5777628530815725
Energy: 0.5406932942791832
Energy: 0.5545642105423042
Energy: 0.48427950394446656
Energy: 0.5545642105432892
Energy: 0.4874217332908604
Energy: 0.5479450403970317
Energy: 0.48422872061709465
Energy: 0.5479450403970317
Energy: 0.5096493704857349
Energy: 0.5652923726060616
Energy: 0.5360559446481569
Energy: 0.5652923726060616
Energy: 0.48740870050951307
Energy: 0.5484175048039029
Energy: 0.4710613794921012
Energy: 0.5484175048039029
Energy: 0.5400694960596476
Energy: 0.5789270449642095
Energy: 0.4840776648481726
Energy: 0.5789270449642095
Energy: 0.5302722324167044
Energy: 0.576921062553541
Energy: 0.5251288779892607
Energy: 0.576921062553541
Energy: 0.53450733193034
Energy: 0.582273607166541
Energy: 0.4841400454003778
Energy: 0.582273607166541
Energy: 0.5356831127951313
Energy: 0.5655585638490599
Energy: 0.5080134153920692
Energy: 0.5655585638490599
Energy: 0.5023085028175309
Energy: 0.5416002333769718
Energy: 0.5031542499346005
Energy: 0.5416002333769718
Energy: 0.5411619790155786
Energy: 0.5339570553861818
Energy: 0.4844808907089272
Energy: 0.5339570553911067

minimum gb energy = 0.4710613794921012 eV
minimum distance =  2.47454540332027 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.5165953590903863
Energy: 0.5953105148316827
Energy: 0.5668137863966687
Energy: 0.5953105148316827
Energy: 0.506190644531821
Energy: 0.5827176667011731
Energy: 0.49895164713745677
Energy: 0.5827176667011731
Energy: 0.49928350577177155
Energy: 0.5487223416426327
Energy: 0.49901430930537855
Energy: 0.5487223416426327
Energy: 0.5163462620475504
Energy: 0.5339065206943802
Energy: 0.5524672156616063
Energy: 0.5339065206943802
Energy: 0.5511846500210039
Energy: 0.5066934999794361
Energy: 0.49918556538345515
Energy: 0.5066934999794361
Energy: 0.5004364359393259
Energy: 0.6402665744996048
Energy: 0.5005246563721021
Energy: 0.6402665744996048
Energy: 0.4990373231397786
Energy: 0.5813248281562715
Energy: 0.49895802077676576
Energy: 0.5813248281562715
Energy: 0.5481464189917357
Energy: 0.6313681185693475
Energy: 0.5160635583376385
Energy: 0.6313681185693475
Energy: 0.4991202578346269
Energy: 0.5826609444297643
Energy: 0.5066021302767706
Energy: 0.5826609444297643
Energy: 0.5723744617178217
Energy: 0.5484430440261102
Energy: 0.5005268797162675
Energy: 0.5484430440261102
Energy: 0.5224683039315203
Energy: 0.630737246303136
Energy: 0.5986679100400175
Energy: 0.630737246303136
Energy: 0.49916014139006426
Energy: 0.52045773125119
Energy: 0.5727024003975467
Energy: 0.52045773125119
Energy: 0.5443888934404255
Energy: 0.5488767577628099
Energy: 0.49888552691115395
Energy: 0.5488767577615917
Energy: 0.4987511238424983
Energy: 0.5336764358543601
Energy: 0.5159370882373513
Energy: 0.5336764358543601
Energy: 0.49879636697635643
Energy: 0.6297799823506435
Energy: 0.5479811845785277
Energy: 0.6297799823506435
Energy: 0.5066766733786785
Energy: 0.5598124362210374
Energy: 0.5003169833201736
Energy: 0.5598124362210374
Energy: 0.49893834698063
Energy: 0.5433539432651174
Energy: 0.5730050272058985
Energy: 0.5433539432651174

minimum gb energy = 0.4987511238424983 eV
minimum distance =  2.57193780962342 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.5744965573394902
Energy: 0.5737419916419372
Energy: 0.6173550557607552
Energy: 0.5737419916419372
Energy: 0.5696246524532831
Energy: 0.5490826140871418
Energy: 0.5141719573226607
Energy: 0.5490826140871418
Energy: 0.5649406784381218
Energy: 0.5708045193401132
Energy: 0.5137704275579914
Energy: 0.5708045193401132
Energy: 0.514628362737377
Energy: 0.5716475618450928
Energy: 0.5479343946074802
Energy: 0.5716475618450928
Energy: 0.5812009396231915
Energy: 0.6071455813011268
Energy: 0.5141664388506277
Energy: 0.6071455813011268
Energy: 0.5212211385930795
Energy: 0.5336713623934839
Energy: 0.5624925745847229
Energy: 0.5336713623934839
Energy: 0.5162341170638084
Energy: 0.5732145046442771
Energy: 0.5141138276346247
Energy: 0.5732145046442771
Energy: 0.5584024225000889
Energy: 0.521053712255349
Energy: 0.5242869616944672
Energy: 0.521053712255349
Energy: 0.5225827684149295
Energy: 0.5962549663736921
Energy: 0.5795309742828452
Energy: 0.5962549663736921
Energy: 0.6109836474813714
Energy: 0.5553582136660191
Energy: 0.5179820486031143
Energy: 0.5553582136660191
Energy: 0.5158955505859825
Energy: 0.5209358641331014
Energy: 0.5655496308115037
Energy: 0.5209358641331014
Energy: 0.5205974296882685
Energy: 0.5720112117819465
Energy: 0.5205574085319419
Energy: 0.5720112117819465
Energy: 0.5648883880713746
Energy: 0.5208275865129582
Energy: 0.5701871621301237
Energy: 0.5208275865129582
Energy: 0.5179487945988948
Energy: 0.5654280081992589
Energy: 0.5716427940307405
Energy: 0.5654280081992589
Energy: 0.5558526304429661
Energy: 0.5743069936385808
Energy: 0.5225949508531393
Energy: 0.5743069936385808
Energy: 0.5678246157989377
Energy: 0.5700571558268255
Energy: 0.5583986080984472
Energy: 0.5700571558268255
Energy: 0.5142726838180364
Energy: 0.5934344590517457
Energy: 0.6178628650547437
Energy: 0.5934344590517457
Energy: 0.5652814221846951
Energy: 0.568553096671855
Energy: 0.5212510002985913
Energy: 0.568553096671855
Energy: 0.5261338276225248
Energy: 0.577178668532496
Energy: 0.5494619301237483
Energy: 0.577178668532496
Energy: 0.5139212922374095
Energy: 0.5723316074943655
Energy: 0.5149372370435056
Energy: 0.5723316074943655
Energy: 0.5369704135351683
Energy: 0.5700637486137816
Energy: 0.5647371215706346
Energy: 0.5700637486137816
Energy: 0.5142973355480838
Energy: 0.5907361190224242
Energy: 0.6104004457831983
Energy: 0.5907361190224242
Energy: 0.5707055877276124
Energy: 0.5742329273129497
Energy: 0.5141255059123713
Energy: 0.5742329273129497
Energy: 0.519810302293549
Energy: 0.5744770384766562
Energy: 0.5642246179317624
Energy: 0.5744770384766562
Energy: 0.5199639486724974
Energy: 0.5705757811368546
Energy: 0.5650857915312166
Energy: 0.5705757811368546
Energy: 0.5726197438762701
Energy: 0.5718124383867148
Energy: 0.5144035263369083
Energy: 0.5718124383867148
Energy: 0.5142230796131501
Energy: 0.6226563067408377
Energy: 0.6260130786175848
Energy: 0.6226563067415275
Energy: 0.5615580566964172
Energy: 0.5339627000167879
Energy: 0.564195845984675
Energy: 0.5339627000167879
Energy: 0.6065100333343467
Energy: 0.5556457941852715
Energy: 0.5161129005069263
Energy: 0.5556457941873412
Energy: 0.5241856009881875
Energy: 0.5959140883577213
Energy: 0.5645960800299884
Energy: 0.5959140883577213

minimum gb energy = 0.5137704275579914 eV
minimum distance =  2.49198253248303 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.5011793733371545
Energy: 0.5008008936377667
Energy: 0.6003050306343647
Energy: 0.5008008936377667
Energy: 0.5853320898200091
Energy: 0.5404188029982746
Energy: 0.5705708291663667
Energy: 0.5404188029982746
Energy: 0.5018571288751108
Energy: 0.5012172242969548
Energy: 0.5439577764605069
Energy: 0.5012172242969548
Energy: 0.5017291655931887
Energy: 0.5010226152861721
Energy: 0.5436943202418298
Energy: 0.5010226152861721
Energy: 0.5852455256450526
Energy: 0.5402992323246352
Energy: 0.545516447049817
Energy: 0.5402992323246352
Energy: 0.5011793733371545
Energy: 0.5008008936377667
Energy: 0.5983323514435468
Energy: 0.5008008936377667
Energy: 0.5853320898200091
Energy: 0.5404188029982746
Energy: 0.545439621900509
Energy: 0.5404188029982746
Energy: 0.5018571288751108
Energy: 0.5012172242969548
Energy: 0.5439577764589184
Energy: 0.5012172242969548
Energy: 0.5017291655931887
Energy: 0.5010226152861721
Energy: 0.54528997328891
Energy: 0.5010226152861721
Energy: 0.5852455256450526
Energy: 0.5402992323246352
Energy: 0.5452945054921564
Energy: 0.5402992323246352
Energy: 0.5011793733371545
Energy: 0.5008008936377667
Energy: 0.6221831800258452
Energy: 0.5008008936377667
Energy: 0.5853320898200091
Energy: 0.5404188029982746
Energy: 0.5705708291663667
Energy: 0.5404188029982746
Energy: 0.5018571288751108
Energy: 0.5012172242969548
Energy: 0.5704673491628888
Energy: 0.5012172242969548

minimum gb energy = 0.5008008936377667 eV
minimum distance =  2.55565950516095 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.5512779472046804
Energy: 0.6232378190536078
Energy: 0.6571960986288967
Energy: 0.6232378190536078
Energy: 0.5981518464009821
Energy: 0.5671019306960801
Energy: 0.5454219283573823
Energy: 0.5671019306960801
Energy: 0.5345257040464554
Energy: 0.5445285115551495
Energy: 0.5448234308460945
Energy: 0.5445285115551495
Energy: 0.5798877742173401
Energy: 0.6334680964339856
Energy: 0.5455850618483857
Energy: 0.6334680964339856
Energy: 0.5966172563715685
Energy: 0.5719653651993775
Energy: 0.5439946516701786
Energy: 0.5719653651993775
Energy: 0.5441906893285547
Energy: 0.5438703044750652
Energy: 0.5815422404720999
Energy: 0.5438703044750652
Energy: 0.6678325582752734
Energy: 0.5691686710684533
Energy: 0.5443891229686183
Energy: 0.5691686710684533
Energy: 0.5383271196195145
Energy: 0.6248684054324795
Energy: 0.586690407910604
Energy: 0.6248684054324795
Energy: 0.5364729346352256
Energy: 0.6273779926747297
Energy: 0.5445006850252928
Energy: 0.6273779926747297
Energy: 0.5349280859661376
Energy: 0.5668511441996055
Energy: 0.5442377152366535
Energy: 0.5668511442001933
Energy: 0.539581061047867
Energy: 0.6179604584972382
Energy: 0.650543988810309
Energy: 0.6179604584978261
Energy: 0.5952789428295506
Energy: 0.6052380540730528
Energy: 0.5390088376241012
Energy: 0.6052380540730528
Energy: 0.5356830391553569
Energy: 0.5782860784353052
Energy: 0.625298049523796
Energy: 0.5782860784353052
Energy: 0.5810303533738808
Energy: 0.5870051577163574
Energy: 0.5507487529101514
Energy: 0.5870051577157697
Energy: 0.5405765529664462
Energy: 0.6061101227713684
Energy: 0.5861665930338991
Energy: 0.6061101227713684
Energy: 0.5380290883235527
Energy: 0.6252238773807771
Energy: 0.5791375273600671
Energy: 0.6252238773807771
Energy: 0.5667235406187248
Energy: 0.6060046147959305
Energy: 0.5404060936264751
Energy: 0.6060046147959305
Energy: 0.542305980826311
Energy: 0.5693189952598032
Energy: 0.595473794656261
Energy: 0.5693189952598032
Energy: 0.5973772975781966
Energy: 0.5776125074494949
Energy: 0.5436838326434099
Energy: 0.5776125074500827
Energy: 0.5409600114764196
Energy: 0.5730644028426852
Energy: 0.5728514738547541
Energy: 0.5730644028420973
Energy: 0.5829941026099845
Energy: 0.6204101264027052
Energy: 0.5801000115611931
Energy: 0.6204101264027052
Energy: 0.5733173627909145
Energy: 0.5950369936362729
Energy: 0.5350306430214745
Energy: 0.5950369936362729
Energy: 0.544470070048713
Energy: 0.6089920085400157
Energy: 0.5362634282736416
Energy: 0.6089920085400157
Energy: 0.6615310837568158
Energy: 0.5734721319687663
Energy: 0.5380403563802728
Energy: 0.5734721319687663
Energy: 0.544557657424061
Energy: 0.6084057997627905
Energy: 0.6393893862490118
Energy: 0.6084057997627905
Energy: 0.5634735479281614
Energy: 0.5434543453774265
Energy: 0.5351373568236311
Energy: 0.5434543453780144
Energy: 0.5806263628692321
Energy: 0.608673674390906
Energy: 0.5795127794037161
Energy: 0.608673674390906
Energy: 0.5511811405186411
Energy: 0.6233302207717081
Energy: 0.579657134997228
Energy: 0.6233302207717081
Energy: 0.5642743089670242
Energy: 0.5445715112722499
Energy: 0.5350293720916621
Energy: 0.5445715112722499
Energy: 0.5454184237672759
Energy: 0.6069971047557641
Energy: 0.6379122813891112
Energy: 0.6069971047557641
Energy: 0.6343873377211725
Energy: 0.5737981194977377
Energy: 0.5376952921934202
Energy: 0.5737981194977377
Energy: 0.5453440355932405
Energy: 0.5692689156738572
Energy: 0.5352901537982971
Energy: 0.5692689156732694
Energy: 0.5455175375633481
Energy: 0.5981427163218935
Energy: 0.5344691867570496
Energy: 0.5981427163218935
Energy: 0.5843541490157289
Energy: 0.6235409424254306
Energy: 0.5793629333373673
Energy: 0.6235409424254306
Energy: 0.5424632174639316
Energy: 0.614988827419009
Energy: 0.6672781563198372
Energy: 0.614988827419009

minimum gb energy = 0.5344691867570496 eV
minimum distance =  2.51546033457976 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.5807519453441355
Energy: 0.5800894608179099
Energy: 0.6471612858919591
Energy: 0.5800894608179099
Energy: 0.5731189002001805
Energy: 0.5894313304409035
Energy: 0.5448481617666625
Energy: 0.5894313304409035
Energy: 0.5400839134536767
Energy: 0.5718258712062689
Energy: 0.5410797366416091
Energy: 0.5718258712062689
Energy: 0.531813538013268
Energy: 0.6129652097267402
Energy: 0.5502410682632746
Energy: 0.6129652097267402
Energy: 0.5568586022452396
Energy: 0.5860221011457661
Energy: 0.5447072345092471
Energy: 0.5860221011457661
Energy: 0.5478558655839625
Energy: 0.6372772586780504
Energy: 0.6051460299489944
Energy: 0.6372772586780504
Energy: 0.6681885245814454
Energy: 0.6089023037429088
Energy: 0.5415719538203344
Energy: 0.6089023037429088
Energy: 0.5366880494765807
Energy: 0.5434290789323066
Energy: 0.6408118084698998
Energy: 0.5434290789323066
Energy: 0.6374116475801691
Energy: 0.5421627523068262
Energy: 0.5434820401980638
Energy: 0.5421627523068262
Energy: 0.5401155902655622
Energy: 0.5774205677842936
Energy: 0.5399318285855546
Energy: 0.5774205677842936
Energy: 0.536971931770755
Energy: 0.5421402006706175
Energy: 0.6122273716413223
Energy: 0.5421402006706175
Energy: 0.6002044666595626
Energy: 0.6123314947144023
Energy: 0.5320478788922374
Energy: 0.6123314947144023
Energy: 0.547958258285632
Energy: 0.5769243531137238
Energy: 0.6333370954072968
Energy: 0.5769243531137238
Energy: 0.6322338292636245
Energy: 0.6104390397517881
Energy: 0.5479155616597193
Energy: 0.6104390397517881
Energy: 0.5370433529309739
Energy: 0.6200792239179918
Energy: 0.6213914147779064
Energy: 0.6200792239179918
Energy: 0.616607080734066
Energy: 0.5423444997604471
Energy: 0.5369778956720307
Energy: 0.5423444997604471
Energy: 0.5736506106244145
Energy: 0.573111124037333
Energy: 0.5401967496481601
Energy: 0.573111124037333
Energy: 0.5757438676854788
Energy: 0.6192563735230224
Energy: 0.5395787432129991
Energy: 0.6192563735230224
Energy: 0.5378085337309232
Energy: 0.549039024148767
Energy: 0.5363463739413524
Energy: 0.549039024148767
Energy: 0.5446811288196347
Energy: 0.5841524470516444
Energy: 0.6622868792989215
Energy: 0.5841524470516444
Energy: 0.6173200926056455
Energy: 0.5409311969300022
Energy: 0.5475588336374093
Energy: 0.5409311969290695
Energy: 0.55003195386584
Energy: 0.5870289637729785
Energy: 0.5695531127030885
Energy: 0.5870289637729785

minimum gb energy = 0.531813538013268 eV
minimum distance =  2.51917024475556 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.561990890175741
Energy: 0.5586937424609008
Energy: 0.6597986875852161
Energy: 0.5586937424609008
Energy: 0.6513604496481121
Energy: 0.5789663346844496
Energy: 0.5468982310179473
Energy: 0.5789663346844496
Energy: 0.5436854997907528
Energy: 0.5553400508253464
Energy: 0.5502773169117742
Energy: 0.555340050826006
Energy: 0.5462166265910872
Energy: 0.587224724902901
Energy: 0.5469206465841977
Energy: 0.587224724902901
Energy: 0.5433475469542125
Energy: 0.581212801758517
Energy: 0.5500839682081842
Energy: 0.581212801758517
Energy: 0.5402487211483789
Energy: 0.5551423691167615
Energy: 0.6315206748673267
Energy: 0.5551423691167615
Energy: 0.604735426994603
Energy: 0.6083501346230669
Energy: 0.5482812650439868
Energy: 0.6083501346230669
Energy: 0.5401369510237172
Energy: 0.5553291175739331
Energy: 0.6376507925689152
Energy: 0.5553291175739331
Energy: 0.6049260785825532
Energy: 0.5799068307349837
Energy: 0.5466904671205337
Energy: 0.5799068307349837
Energy: 0.5404450328386234
Energy: 0.5873784741806809
Energy: 0.5947351889765101
Energy: 0.5873784741806809
Energy: 0.5505181204054066
Energy: 0.6279164072823428
Energy: 0.5491521864309307
Energy: 0.6279164072823428
Energy: 0.557804008992064
Energy: 0.58196271538896
Energy: 0.5477435153546091
Energy: 0.58196271538896
Energy: 0.5559987545543498
Energy: 0.5551477101879878
Energy: 0.5491441153619707
Energy: 0.5551477101879878
Energy: 0.5498368435535518
Energy: 0.5540107371144702
Energy: 0.5473751061428096
Energy: 0.5540107371144702
Energy: 0.5407778768103703
Energy: 0.6253712295982501
Energy: 0.6053038815064288
Energy: 0.6253712295982501
Energy: 0.6680343864358222
Energy: 0.5519456503767176
Energy: 0.5509448991142383
Energy: 0.5519456503767176
Energy: 0.5407305550441623
Energy: 0.5789390944489633
Energy: 0.5647532583691333
Energy: 0.5789390944489633
Energy: 0.5488415018530984
Energy: 0.6163668692271751
Energy: 0.5478507230120522
Energy: 0.6163668692271751
Energy: 0.5406965974468547
Energy: 0.554494755366611
Energy: 0.5491334700496648
Energy: 0.554494755366611
Energy: 0.5404389681399864
Energy: 0.5801869800227859
Energy: 0.5478025986917916
Energy: 0.5801869800227859
Energy: 0.5503441869384205
Energy: 0.6274359388972975
Energy: 0.5466724062384203
Energy: 0.6274359388972975
Energy: 0.5401945906492917
Energy: 0.5567222010773664
Energy: 0.5957015222301381
Energy: 0.5567222010773664
Energy: 0.6429874040446494
Energy: 0.5801146786118316
Energy: 0.5478946731813209
Energy: 0.5801146786118316
Energy: 0.5558743771125688
Energy: 0.5550633303933442
Energy: 0.631030602996475
Energy: 0.5550633303940037
Energy: 0.5575064248583764
Energy: 0.5808620936322735
Energy: 0.5486576102072624
Energy: 0.580862093631614
Energy: 0.5466823460360111
Energy: 0.6262318747562711
Energy: 0.5514568109874336
Energy: 0.6262318747562711
Energy: 0.5435228255936929
Energy: 0.590694433692633
Energy: 0.549103515813968
Energy: 0.590694433692633
Energy: 0.5466964775214324
Energy: 0.5785648375912871
Energy: 0.546813035118056
Energy: 0.5785648375912871
Energy: 0.54386663928248
Energy: 0.5571371311440276
Energy: 0.5840261116540888
Energy: 0.5571371311440276
Energy: 0.5617661490014229
Energy: 0.5553874036273686
Energy: 0.5468839658125372
Energy: 0.5553874036273686
Energy: 0.5438662021314817
Energy: 0.5578538915347782
Energy: 0.6219025458233208
Energy: 0.5578538915347782

minimum gb energy = 0.5401369510237172 eV
minimum distance =  2.50215080558262 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5388403940364732
Energy: 0.5262123860566316
Energy: 0.6710284459369136
Energy: 0.5262123860566316
Energy: 0.5186127816634103
Energy: 0.5337212879215498
Energy: 0.5346832885310379
Energy: 0.5337212879217796
Energy: 0.5264162485397682
Energy: 0.571275757200655
Energy: 0.5822434281235875
Energy: 0.5712757572004253
Energy: 0.5412577370579766
Energy: 0.5184940918588458
Energy: 0.5342886280257431
Energy: 0.5184940918588458
Energy: 0.539262327181291
Energy: 0.5566421689878739
Energy: 0.5845108100221572
Energy: 0.5566421689878739
Energy: 0.5213420647740271
Energy: 0.5678502374982817
Energy: 0.5213526773697242
Energy: 0.5678502374985113
Energy: 0.5256050052111201
Energy: 0.5567077216740712
Energy: 0.539246463504059
Energy: 0.5567077216740712
Energy: 0.5346366591597562
Energy: 0.5182887087352658
Energy: 0.5413233068122671
Energy: 0.5182887087350361
Energy: 0.5822928112606395
Energy: 0.5713283461155663
Energy: 0.5264059604177396
Energy: 0.5713283461155663

minimum gb energy = 0.5182887087350361 eV
minimum distance =  2.55185424119601 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.512687450711689
Energy: 0.5195244558117347
Energy: 0.5837809129399545
Energy: 0.5195244558117347
Energy: 0.5045901947135989
Energy: 0.5415722240317549
Energy: 0.4916024197152541
Energy: 0.5415722240317549
Energy: 0.49574963327610455
Energy: 0.5136245688599528
Energy: 0.590651108077048
Energy: 0.5136245688599528
Energy: 0.4892466014830757
Energy: 0.5369894773355104
Energy: 0.4988035315889418
Energy: 0.5369894773361334
Energy: 0.5022921398747239
Energy: 0.5410790005002145
Energy: 0.5959100545459725
Energy: 0.5410790005002145
Energy: 0.5109424557221628
Energy: 0.5198411765973223
Energy: 0.491530120622163
Energy: 0.5198411765973223
Energy: 0.49518030938523855
Energy: 0.5420206244316078
Energy: 0.49733365055128925
Energy: 0.5420206244316078
Energy: 0.49311767679724355
Energy: 0.5207771172693973
Energy: 0.49386279351661
Energy: 0.5207771172700203
Energy: 0.5024262662004327
Energy: 0.5419284885432599
Energy: 0.49230934699915657
Energy: 0.5419284885432599
Energy: 0.5004271472743403
Energy: 0.5416173157473917
Energy: 0.4901036569069013
Energy: 0.5416173157480146
Energy: 0.49127800575661806
Energy: 0.5203107248825916
Energy: 0.49413055911946974
Energy: 0.5203107248825916
Energy: 0.49528987771863753
Energy: 0.5471391809453873
Energy: 0.5359830037935047
Energy: 0.5471391809453873
Energy: 0.5114533673717592
Energy: 0.5191752205006148
Energy: 0.5199367347949078
Energy: 0.5191752205006148
Energy: 0.5027040033618569
Energy: 0.5205093538484342
Energy: 0.5176607551076002
Energy: 0.5205093538484342
Energy: 0.5139752392601107
Energy: 0.537403885238469
Energy: 0.49395726574086196
Energy: 0.537403885238469
Energy: 0.5008517373694249
Energy: 0.5129373704880731
Energy: 0.5016489221703702
Energy: 0.512937370488696
Energy: 0.5749546178311757
Energy: 0.5479566369116445
Energy: 0.4917071340752413
Energy: 0.5479566369116445
Energy: 0.5031965454330544
Energy: 0.5195279155031207
Energy: 0.5358371744043141
Energy: 0.5195279155031207
Energy: 0.4958956888356489
Energy: 0.541766352174302
Energy: 0.4920749572076481
Energy: 0.541766352174302
Energy: 0.49508697658134126
Energy: 0.5321962542572385
Energy: 0.5134921321249897
Energy: 0.5321962542572385
Energy: 0.48865515813287735
Energy: 0.5363466492189419
Energy: 0.4993613693516556
Energy: 0.5363466492189419
Energy: 0.5025177808043014
Energy: 0.5429140991587971
Energy: 0.5048394228866656
Energy: 0.5429140991587971
Energy: 0.4916846628699959
Energy: 0.5203894765356443
Energy: 0.48867765519860706
Energy: 0.5203894765356443
Energy: 0.5301908398599753
Energy: 0.5219849024005695
Energy: 0.49517729627539814
Energy: 0.5219849024005695
Energy: 0.5216592820708006
Energy: 0.5143390956006351
Energy: 0.49241563537889166
Energy: 0.5143390956006351
Energy: 0.5124828733989707
Energy: 0.5202205193974081
Energy: 0.5025256652569541
Energy: 0.5202205193974081
Energy: 0.49525326632427913
Energy: 0.532606253069576
Energy: 0.5056817503141287
Energy: 0.532606253069576
Energy: 0.5147293805672011
Energy: 0.5395652112528142
Energy: 0.5008277847822538
Energy: 0.5395652112528142
Energy: 0.49409725456951076
Energy: 0.540972564813935
Energy: 0.5796894332487366
Energy: 0.540972564813935
Energy: 0.557198844065128
Energy: 0.5194787448908103
Energy: 0.5029637334316509
Energy: 0.5194787448908103
Energy: 0.4956593534655915
Energy: 0.505176906860002
Energy: 0.5558844341381323
Energy: 0.505176906860002
Energy: 0.5898516913527807
Energy: 0.5224699803266646
Energy: 0.49508227591885884
Energy: 0.5224699803266646
Energy: 0.4993279535381698
Energy: 0.5373469708430954
Energy: 0.4910421477129887
Energy: 0.5373469708430954

minimum gb energy = 0.48865515813287735 eV
minimum distance =  2.51908429824831 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.49478021277207246
Energy: 0.4939671863719213
Energy: 0.4805473028389293
Energy: 0.4939671863719213
Energy: 0.4944131111587923
Energy: 0.4987284806684838
Energy: 0.47289118301614474
Energy: 0.4987284806684838
Energy: 0.46315097056503934
Energy: 0.4944089341305506
Energy: 0.6461909896079985
Energy: 0.4944089341305506
Energy: 0.47789764016447467
Energy: 0.5215526507785914
Energy: 0.4730142490792141
Energy: 0.5215526507785914
Energy: 0.4628567771276161
Energy: 0.5397064053153517
Energy: 0.5810899021408515
Energy: 0.5397064053153517
Energy: 0.4623119072645299
Energy: 0.4953693367734062
Energy: 0.47285468980883594
Energy: 0.4953693367734062
Energy: 0.46274872261146305
Energy: 0.5396135154347539
Energy: 0.49384193721896424
Energy: 0.5396135154347539
Energy: 0.46274771430990636
Energy: 0.4955143671400062
Energy: 0.48516026043621296
Energy: 0.4955143671400062
Energy: 0.49414430797442943
Energy: 0.4938111733649988
Energy: 0.4799333097955778
Energy: 0.4938111733658601
Energy: 0.49426813870662506
Energy: 0.4936052890221415
Energy: 0.490555101012139
Energy: 0.4936052890221415
Energy: 0.4627529467652562
Energy: 0.49552736023182725
Energy: 0.47879865131016275
Energy: 0.4955273602326886
Energy: 0.462724818675306
Energy: 0.5395847361989574
Energy: 0.49938112858787986
Energy: 0.5395847361989574
Energy: 0.462443192689269
Energy: 0.4954411274568892
Energy: 0.47287167945941955
Energy: 0.4954411274568892
Energy: 0.4629673316993659
Energy: 0.5396458399696552
Energy: 0.5914373238828897
Energy: 0.5396458399696552
Energy: 0.4779475706951161
Energy: 0.5215596220324529
Energy: 0.47287437998753623
Energy: 0.5215596220324529
Energy: 0.4631653313518418
Energy: 0.49432209922175385
Energy: 0.4941867705766801
Energy: 0.49432209922175385
Energy: 0.4944237520523446
Energy: 0.498735593328364
Energy: 0.4728932919849035
Energy: 0.498735593328364
Energy: 0.49478021277207246
Energy: 0.4939671863719213
Energy: 0.487351786357416
Energy: 0.4939671863719213
Energy: 0.4944131111587923
Energy: 0.4987284806684838
Energy: 0.47289118301614474
Energy: 0.4987284806684838
Energy: 0.46315097056503934
Energy: 0.4944089341305506
Energy: 0.6461909896079985
Energy: 0.4944089341305506
Energy: 0.4778976401653361
Energy: 0.5215526507785914
Energy: 0.4730142490792141
Energy: 0.5215526507785914
Energy: 0.4628567771276161
Energy: 0.5397064053153517
Energy: 0.5810899021408515
Energy: 0.5397064053153517
Energy: 0.4623119072645299
Energy: 0.4953693367742676
Energy: 0.47285468980883594
Energy: 0.4953693367734062
Energy: 0.46274872261146305
Energy: 0.5396135154347539
Energy: 0.4826544657552927
Energy: 0.5396135154347539

minimum gb energy = 0.4623119072645299 eV
minimum distance =  2.52173976826509 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.4900601648392592
Energy: 0.4889808825543076
Energy: 0.5649557846015264
Energy: 0.4889808825543076
Energy: 0.5547717445228152
Energy: 0.4816834511738381
Energy: 0.46753364816616555
Energy: 0.4816834511738381
Energy: 0.4680868261817857
Energy: 0.4810574282530205
Energy: 0.590542690572346
Energy: 0.4810574282530205
Energy: 0.48165408909573126
Energy: 0.4676836313961143
Energy: 0.46609335818414166
Energy: 0.4676836313961143
Energy: 0.4627672702862583
Energy: 0.5178729481699862
Energy: 0.5503534428382624
Energy: 0.5178729481705184
Energy: 0.46099823741187546
Energy: 0.5692894181629597
Energy: 0.47437943177970004
Energy: 0.5692894181629597
Energy: 0.4697012907530178
Energy: 0.5088361295601442
Energy: 0.49442886913147416
Energy: 0.5088361295601442
Energy: 0.46414505698038827
Energy: 0.5731201323918551
Energy: 0.46073820232662693
Energy: 0.5731201323918551
Energy: 0.48578906216858153
Energy: 0.5726036993830812
Energy: 0.47853170903277675
Energy: 0.5726036993830812
Energy: 0.4875693483953919
Energy: 0.5056142188289197
Energy: 0.46978171841286687
Energy: 0.5056142188289197
Energy: 0.4680783615030754
Energy: 0.493797455624167
Energy: 0.4608598135466751
Energy: 0.493797455624167
Energy: 0.4696924500324765
Energy: 0.5060465036811974
Energy: 0.46384623640028066
Energy: 0.5060465036811974
Energy: 0.46014000689816825
Energy: 0.5017707499941341
Energy: 0.46645411636023865
Energy: 0.5017707499951988
Energy: 0.46328264222512544
Energy: 0.5174246918219689
Energy: 0.5007679305743858
Energy: 0.5174246918219689
Energy: 0.4624259240339228
Energy: 0.470761206409416
Energy: 0.4907956402062696
Energy: 0.470761206409416
Energy: 0.4683880321577823
Energy: 0.4814981459778403
Energy: 0.5547353661494725
Energy: 0.4814981459778403
Energy: 0.4724820754591346
Energy: 0.46996812024578316
Energy: 0.4662213319682642
Energy: 0.4699681202463155
Energy: 0.4676104652245906
Energy: 0.4890038176510797
Energy: 0.4688590396087422
Energy: 0.4890038176510797
Energy: 0.5425434892184411
Energy: 0.5059576858498771
Energy: 0.46916924450361114
Energy: 0.5059576858498771
Energy: 0.4755995224360224
Energy: 0.4816923617334878
Energy: 0.48085923377940365
Energy: 0.4816923617334878
Energy: 0.5490912099469082
Energy: 0.4772095363222116
Energy: 0.4669141980544748
Energy: 0.477209536322744
Energy: 0.46775467681702054
Energy: 0.48908447812762307
Energy: 0.46896999488717256
Energy: 0.48908447812709066
Energy: 0.4750377996185731
Energy: 0.4763993757321651
Energy: 0.4757871022123794
Energy: 0.4763993757321651
Energy: 0.46860444250033495
Energy: 0.5093505541696753
Energy: 0.5522529115651212
Energy: 0.5093505541691429
Energy: 0.4761633493378013
Energy: 0.4891672544552093
Energy: 0.466700103279786
Energy: 0.4891672544552093
Energy: 0.4666506268313854
Energy: 0.518513542173482
Energy: 0.4725101895112937
Energy: 0.518513542173482
Energy: 0.5427618015723914
Energy: 0.49956822895633285
Energy: 0.4687574537326819
Energy: 0.49956822895633285
Energy: 0.4919897073767803
Energy: 0.5643929311720866
Energy: 0.461555123679925
Energy: 0.5643929311720866
Energy: 0.497841957161912
Energy: 0.5174903538914533
Energy: 0.4640758377588523
Energy: 0.5174903538914533
Energy: 0.46668945436255505
Energy: 0.5002404841600174
Energy: 0.48340330045758706
Energy: 0.5002404841600174
Energy: 0.46480939538561716
Energy: 0.5176558991257544
Energy: 0.47121496650941674
Energy: 0.5176558991257544
Energy: 0.4616850964315377
Energy: 0.5626980745935865
Energy: 0.46703835175701824
Energy: 0.5626980745935865
Energy: 0.4688170204787106
Energy: 0.5055617898043115
Energy: 0.5563373831403681
Energy: 0.5055617898037791
Energy: 0.48369704190086166
Energy: 0.5721497865669993
Energy: 0.47558250668679775
Energy: 0.5721497865664669
Energy: 0.46242830768488297
Energy: 0.4889953820640806
Energy: 0.4795500863080194
Energy: 0.4889953820640806
Energy: 0.4956090203399547
Energy: 0.5094510318025466
Energy: 0.46914947922891564
Energy: 0.5094510318025466
Energy: 0.4757916973799645
Energy: 0.47481366734388786
Energy: 0.4615674571087833
Energy: 0.47481366734388786
Energy: 0.47357459501966304
Energy: 0.5181691645592293
Energy: 0.4678922588766145
Energy: 0.5181691645592293

minimum gb energy = 0.46014000689816825 eV
minimum distance =  2.50961019388868 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.43170591524012797
Energy: 0.4311078645417459
Energy: 0.5202066712064928
Energy: 0.4311078645417459
Energy: 0.4324384834082984
Energy: 0.4471019835899368
Energy: 0.43561789532762446
Energy: 0.4471019835899368
Energy: 0.43616724714493366
Energy: 0.5093454087164742
Energy: 0.6175910948395471
Energy: 0.5093454087164742
Energy: 0.4253138052785266
Energy: 0.4471015584961052
Energy: 0.4356288057745903
Energy: 0.4471015584961052
Energy: 0.4327402508124357
Energy: 0.47179731505092554
Energy: 0.4337050002166073
Energy: 0.47179731505092554
Energy: 0.43304271073471834
Energy: 0.43251556075960185
Energy: 0.4329818728341356
Energy: 0.43251556075960185
Energy: 0.4354808345338442
Energy: 0.5107129262581602
Energy: 0.4333017746167617
Energy: 0.5107129262581602
Energy: 0.4207305232726129
Energy: 0.5082120445094128
Energy: 0.43548561644716005
Energy: 0.5082120445091437
Energy: 0.43283183268015185
Energy: 0.4719685750130919
Energy: 0.42336905685639886
Energy: 0.4719685750130919
Energy: 0.4496708145770523
Energy: 0.469573284562061
Energy: 0.4329274195045977
Energy: 0.469573284562061
Energy: 0.4344949065291523
Energy: 0.44846174133476985
Energy: 0.433064410906071
Energy: 0.44846174133476985
Energy: 0.4321331323191297
Energy: 0.5092026586016647
Energy: 0.43545976925677365
Energy: 0.5092026586016647
Energy: 0.43390437506073803
Energy: 0.43265883283927375
Energy: 0.41954532912450965
Energy: 0.43265883283927375
Energy: 0.433153363955948
Energy: 0.47035817732547436
Energy: 0.4331860601098879
Energy: 0.47035817732547436
Energy: 0.4233418901428776
Energy: 0.43266302610918145
Energy: 0.4338458585880554
Energy: 0.43266302610918145

minimum gb energy = 0.41954532912450965 eV
minimum distance =  2.5498294877798 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.4213834668697904
Energy: 0.4045082612467438
Energy: 0.504935046272174
Energy: 0.4045082612467438
Energy: 0.4961059208628605
Energy: 0.414758598996041
Energy: 0.39848191491696017
Energy: 0.414758598996041
Energy: 0.40486869567639083
Energy: 0.4046013292153302
Energy: 0.48786669629010593
Energy: 0.4046013292153302
Energy: 0.40658344461964946
Energy: 0.414672868218617
Energy: 0.39734847239737553
Energy: 0.41467286821920085
Energy: 0.40878183867108914
Energy: 0.43464514282226124
Energy: 0.4066616558002421
Energy: 0.43464514282226124
Energy: 0.4011588689454504
Energy: 0.41510654983255146
Energy: 0.41077144560021184
Energy: 0.41510654983255146
Energy: 0.4076264693429286
Energy: 0.4364755737445134
Energy: 0.48090976467097546
Energy: 0.4364755737450972
Energy: 0.39310749915274856
Energy: 0.41489442096336226
Energy: 0.4109783421510391
Energy: 0.41489442096336226
Energy: 0.40742985466517095
Energy: 0.4364009531079624
Energy: 0.5185661523035765
Energy: 0.43640095310854626
Energy: 0.4890674876477293
Energy: 0.44459527010736605
Energy: 0.3973325520361467
Energy: 0.44459527010794986
Energy: 0.40891067007522114
Energy: 0.44554762616916765
Energy: 0.3976522148413514
Energy: 0.44554762616975147
Energy: 0.41435257152139904
Energy: 0.4447806543812332
Energy: 0.39752102936693423
Energy: 0.4447806543806494
Energy: 0.42465831649347774
Energy: 0.41211156208971234
Energy: 0.3972138884742592
Energy: 0.4121115620926316
Energy: 0.5543855650512941
Energy: 0.4450501869668564
Energy: 0.3974943092769774
Energy: 0.4450501869668564
Energy: 0.4054095758930434
Energy: 0.4046014144290701
Energy: 0.39746013010745623
Energy: 0.4046014144279024
Energy: 0.4117663149730109
Energy: 0.4448974620299087
Energy: 0.3983406779008763
Energy: 0.4448974620299087
Energy: 0.40658180861507853
Energy: 0.40449931903665476
Energy: 0.39863265460331265
Energy: 0.40449931903607084
Energy: 0.4063638346370864
Energy: 0.4348968363953088
Energy: 0.41533336278703514
Energy: 0.4348968363953088
Energy: 0.40664286171730457
Energy: 0.41309413055837474
Energy: 0.41535493789960787
Energy: 0.41309413055895855
Energy: 0.40662706357242057
Energy: 0.41322590373692786
Energy: 0.41544789808837757
Energy: 0.41322590373692786
Energy: 0.4064040772336988
Energy: 0.4348546350972388
Energy: 0.415446585064953
Energy: 0.4348546350972388
Energy: 0.4065806607382073
Energy: 0.4044403959440645
Energy: 0.3984605963076221
Energy: 0.4044403959440645
Energy: 0.4117806956552039
Energy: 0.44491374651957244
Energy: 0.39830430315836984
Energy: 0.44491374651957244
Energy: 0.40546831890653745
Energy: 0.4045882927464507
Energy: 0.39841264420668904
Energy: 0.40458829274703456
Energy: 0.5545474523333501
Energy: 0.4450796023687851
Energy: 0.3975669915195946
Energy: 0.4450796023687851
Energy: 0.4246223715034769
Energy: 0.4121377932606546
Energy: 0.3978941718107409
Energy: 0.4121377932600707
Energy: 0.41441796227161626
Energy: 0.44481397746973195
Energy: 0.3975730620234569
Energy: 0.44481397746973195
Energy: 0.4090217066931798
Energy: 0.44572826361505435
Energy: 0.39774118305684686
Energy: 0.44572826361505435
Energy: 0.48902517603642465
Energy: 0.44450213960486296
Energy: 0.3973059642039301
Energy: 0.44450213960486296
Energy: 0.4074117051114706
Energy: 0.4363397580211147
Energy: 0.48658266559991964
Energy: 0.4363397580211147
Energy: 0.39322650847419827
Energy: 0.4147725342875915
Energy: 0.4108261461342259
Energy: 0.4147725342875915
Energy: 0.4074492794687579
Energy: 0.43645737799364714
Energy: 0.5558718101508795
Energy: 0.43645737799364714
Energy: 0.40108885382576637
Energy: 0.4150824558302606
Energy: 0.4108077729333812
Energy: 0.4150824558302606
Energy: 0.40884691445824467
Energy: 0.43468459486330296
Energy: 0.4081495203532121
Energy: 0.43468459486330296
Energy: 0.40663916378009374
Energy: 0.4146510239941058
Energy: 0.39725506737239075
Energy: 0.4146510239941058

minimum gb energy = 0.39310749915274856 eV
minimum distance =  2.55960978930485 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.46328411716533835
Energy: 0.393881951174521
Energy: 0.35951495216567436
Energy: 0.3938819511755256
Energy: 0.4458699513764365
Energy: 0.3827901460866444
Energy: 0.36218569894332897
Energy: 0.3827901460866444
Energy: 0.3775323817130227
Energy: 0.43085405832659995
Energy: 0.519841441065146
Energy: 0.43085405832659995
Energy: 0.4292470551304331
Energy: 0.38305749171224296
Energy: 0.3671048604374071
Energy: 0.38305749171224296
Energy: 0.3662889304260898
Energy: 0.3828269475137788
Energy: 0.3729498006614011
Energy: 0.3828269475137788
Energy: 0.3601223730759496
Energy: 0.3826897168910267
Energy: 0.43689491729021773
Energy: 0.3826897168910267
Energy: 0.37328240985991684
Energy: 0.4043110560150655
Energy: 0.5664968862248715
Energy: 0.4043110560150655
Energy: 0.35888469152234836
Energy: 0.3830581906969417
Energy: 0.38391239996092724
Energy: 0.3830581906969417
Energy: 0.36273136411340395
Energy: 0.3828099933065159
Energy: 0.49840161076200556
Energy: 0.3828099933065159
Energy: 0.5190109050594581
Energy: 0.4277829214840657
Energy: 0.4369351827768878
Energy: 0.4277829214840657
Energy: 0.37501357087850484
Energy: 0.4146849266245583
Energy: 0.4306651951316337
Energy: 0.4146849266245583
Energy: 0.5346083604657442
Energy: 0.38278516413140307
Energy: 0.3672221777066616
Energy: 0.38278516413140307
Energy: 0.4372937365167074
Energy: 0.38310222405967237
Energy: 0.3564628956324822
Energy: 0.38310222405967237
Energy: 0.565544386169093
Energy: 0.40184952735084833
Energy: 0.35879706986401355
Energy: 0.40184952735084833
Energy: 0.4625231544899939
Energy: 0.40200308501277904
Energy: 0.3609144381071186
Energy: 0.40200308501277904
Energy: 0.4605459530188002
Energy: 0.383215759894
Energy: 0.3635687405021311
Energy: 0.383215759894
Energy: 0.43738306782476555
Energy: 0.4270641357828991
Energy: 0.35495600560151125
Energy: 0.4270641357828991
Energy: 0.4295690169700558
Energy: 0.41464538781261595
Energy: 0.3662816923948115
Energy: 0.41464538781261595
Energy: 0.3675320116403677
Energy: 0.3833158783089441
Energy: 0.36528492594323153
Energy: 0.3833158783089441
Energy: 0.3652159383532975
Energy: 0.38309532877243885
Energy: 0.4374226461275063
Energy: 0.38309532877243885

minimum gb energy = 0.35495600560151125 eV
minimum distance =  2.56223547959969 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.4083653194719746
Energy: 0.3318713548071497
Energy: 0.4340531091444199
Energy: 0.3318713548071497
Energy: 0.4805781946288074
Energy: 0.33606646402651297
Energy: 0.3266905057702036
Energy: 0.33606646402651297
Energy: 0.38642275419094657
Energy: 0.3305211273174227
Energy: 0.44846253465657343
Energy: 0.3305211273166383
Energy: 0.38070580135747145
Energy: 0.3413347934436637
Energy: 0.3267406316339158
Energy: 0.3413347934436637
Energy: 0.33188673128033597
Energy: 0.33476872317993467
Energy: 0.32385527997917635
Energy: 0.33476872317993467
Energy: 0.36804174160996017
Energy: 0.3306498614559199
Energy: 0.33247699690939214
Energy: 0.3306498614574887
Energy: 0.32798814978059637
Energy: 0.3245892171977447
Energy: 0.38131041244645714
Energy: 0.3245892171977447
Energy: 0.31133404190495173
Energy: 0.3463223683881996
Energy: 0.3855439246817253
Energy: 0.34632236838741515
Energy: 0.3262645363395675
Energy: 0.3359527485975168
Energy: 0.4919587254806865
Energy: 0.3359527485975168
Energy: 0.31076586453437016
Energy: 0.3245292529817937
Energy: 0.34702240227918735
Energy: 0.32452925298100926
Energy: 0.32811554286900074
Energy: 0.3245407901556188
Energy: 0.5375101481393806
Energy: 0.3245407901556188
Energy: 0.44581337853940367
Energy: 0.3471416634037711
Energy: 0.3856258210713904
Energy: 0.3471416634037711
Energy: 0.3270067706681682
Energy: 0.34160066306474296
Energy: 0.4822723168126882
Energy: 0.34160066306474296
Energy: 0.45514642148612316
Energy: 0.32441592871199243
Energy: 0.3325165798175159
Energy: 0.32441592871199243
Energy: 0.33434181427952037
Energy: 0.3246368152317735
Energy: 0.3727646672774461
Energy: 0.3246368152317735
Energy: 0.5043266960176118
Energy: 0.38281153266594564
Energy: 0.3280314069716148
Energy: 0.38281153266594564
Energy: 0.38594099145106675
Energy: 0.34662792161342865
Energy: 0.3688140219243136
Energy: 0.346627921614213
Energy: 0.49730066650180493
Energy: 0.33481285648188147
Energy: 0.3268662786700828
Energy: 0.33481285648188147
Energy: 0.40802110760232296
Energy: 0.33043508292997914
Energy: 0.3160194472468885
Energy: 0.33043508292997914
Energy: 0.5812634493492325
Energy: 0.3820768579005761
Energy: 0.3279345783632081
Energy: 0.3820768579005761
Energy: 0.38606814711282955
Energy: 0.3461722199002929
Energy: 0.312845544614878
Energy: 0.3461722199002929
Energy: 0.3846990765228195
Energy: 0.34169052648879394
Energy: 0.32854577820709296
Energy: 0.34169052648879394
Energy: 0.33443835193865024
Energy: 0.3243745660331311
Energy: 0.45716223115027094
Energy: 0.3243745660331311
Energy: 0.3711575583919016
Energy: 0.38204949191633814
Energy: 0.33426173755972927
Energy: 0.38204949191633814
Energy: 0.3297066541439113
Energy: 0.38130314973995755
Energy: 0.5032946369725388
Energy: 0.38130314973995755
Energy: 0.31530307376311534
Energy: 0.34672100033451575
Energy: 0.38752808537380234
Energy: 0.34672100033451575

minimum gb energy = 0.31076586453437016 eV
minimum distance =  2.56385017707004 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.4881896988181898
Energy: 0.29974167414005953
Energy: 0.48602903076078147
Energy: 0.29974167414005953
Energy: 0.476263454650208
Energy: 0.2925485156436474
Energy: 0.28776758965804095
Energy: 0.2925485156436474
Energy: 0.29940737545300594
Energy: 0.28697624632931973
Energy: 0.280419848186762
Energy: 0.28697624632931973
Energy: 0.38399716330344197
Energy: 0.2930665565307632
Energy: 0.28779200914253206
Energy: 0.2930665565307632
Energy: 0.2862656189781035
Energy: 0.3080782801518702
Energy: 0.2862692190582315
Energy: 0.3080782801525132
Energy: 0.28977653852252033
Energy: 0.2929036172292103
Energy: 0.2877148197011979
Energy: 0.2929036172292103
Energy: 0.2874325877081817
Energy: 0.29263048979758194
Energy: 0.2897969770194318
Energy: 0.29263048979758194
Energy: 0.286346861879735
Energy: 0.29961480296963017
Energy: 0.28659870846836
Energy: 0.29961480296963017
Energy: 0.28857336852185134
Energy: 0.29980461924477997
Energy: 0.3832662445240243
Energy: 0.29980461924542295
Energy: 0.2845506568275404
Energy: 0.28742001003510537
Energy: 0.2996387691725757
Energy: 0.28742001003510537
Energy: 0.28749061082439653
Energy: 0.2927544635010993
Energy: 0.5471050288634585
Energy: 0.2927544635010993
Energy: 0.28570763936170607
Energy: 0.2998971476699593
Energy: 0.48264452167122873
Energy: 0.2998971476699593
Energy: 0.2885058429888612
Energy: 0.4144093618931266
Energy: 0.5827310439901698
Energy: 0.4144093618931266
Energy: 0.39114563696425275
Energy: 0.3303874382009118
Energy: 0.29968633488022806
Energy: 0.3303874382015549
Energy: 0.28754117451779515
Energy: 0.29267286974384266
Energy: 0.47158982863531407
Energy: 0.29267286974384266
Energy: 0.4012685604318463
Energy: 0.3003513527558168
Energy: 0.2867296287417241
Energy: 0.3003513527558168
Energy: 0.28855074462184716
Energy: 0.4139701524928028
Energy: 0.4232251401931773
Energy: 0.41397015249666125
Energy: 0.3965304423495527
Energy: 0.3307737919077473
Energy: 0.2877154326262426
Energy: 0.33077379190839035
Energy: 0.2875255848160227
Energy: 0.29965046662655603
Energy: 0.28454054029849396
Energy: 0.29965046662655603
Energy: 0.406411186466571
Energy: 0.30032750101369327
Energy: 0.2899276738335446
Energy: 0.30032750101305017
Energy: 0.30037005203541706
Energy: 0.4140818405677306
Energy: 0.28141308093833617
Energy: 0.4140818405670876
Energy: 0.5451766313635062
Energy: 0.4214970576429311
Energy: 0.28783105964352934
Energy: 0.421497057642288
Energy: 0.481429270402797
Energy: 0.2992309586890172
Energy: 0.28467133769051606
Energy: 0.2992309586884034
Energy: 0.4796795134294722
Energy: 0.41406190765003986
Energy: 0.2898503877147032
Energy: 0.4140619076493967
Energy: 0.30048215488455504
Energy: 0.3292153113492546
Energy: 0.28393635885832785
Energy: 0.3292153113486115
Energy: 0.46959460706793965
Energy: 0.5222351623653216
Energy: 0.28776871168668716
Energy: 0.5222351623653216
Energy: 0.2875041278400353
Energy: 0.2997876458016123
Energy: 0.3994748123301268
Energy: 0.29978764580225536
Energy: 0.2943788964016606
Energy: 0.41405644064293406
Energy: 0.28989335104229613
Energy: 0.41405644064293406
Energy: 0.2885541453623065
Energy: 0.32932231523553196
Energy: 0.39449365988754564
Energy: 0.32932231523553196
Energy: 0.28372827734843864
Energy: 0.42979214426997303
Energy: 0.28891903857836143
Energy: 0.4297921442706161
Energy: 0.2918568839392717
Energy: 0.2994551832369368
Energy: 0.40484122128560435
Energy: 0.2994551832369368
Energy: 0.2854509039421141
Energy: 0.41384822376238384
Energy: 0.3016243714872571
Energy: 0.41384822376238384

minimum gb energy = 0.280419848186762 eV
minimum distance =  2.53580291153046 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.4374884882004281
Energy: 0.27001494217093475
Energy: 0.43901687381891913
Energy: 0.2700149421714796
Energy: 0.49228460748489905
Energy: 0.26847892981975696
Energy: 0.2686174890175352
Energy: 0.2684789298192122
Energy: 0.27909563461777903
Energy: 0.2682949742171113
Energy: 0.5241487694815588
Energy: 0.2682949742171113
Energy: 0.42697472254025365
Energy: 0.2687069146072395
Energy: 0.2686659577471212
Energy: 0.2687069146148663
Energy: 0.26770540537613824
Energy: 0.27171484106317745
Energy: 0.39906140839619236
Energy: 0.2717148410615431
Energy: 0.3487816175266372
Energy: 0.2683059392591728
Energy: 0.2686524733002334
Energy: 0.2683059392597176
Energy: 0.26853049516438915
Energy: 0.27395294752792354
Energy: 0.2654423508194036
Energy: 0.2739529475137595
Energy: 0.2657377236560627
Energy: 0.2738050470857031
Energy: 0.2685268706086668
Energy: 0.2738050470857031
Energy: 0.2691300639190346
Energy: 0.2743207220508018
Energy: 0.3478118179308244
Energy: 0.27432072205025704
Energy: 0.2636250621446004
Energy: 0.26838157101710974
Energy: 0.2679591767921924
Energy: 0.26838157101275156
Energy: 0.26840109588485145
Energy: 0.2686988818128629
Energy: 0.4263784685257347
Energy: 0.2686988818128629
Energy: 0.26089714023243593
Energy: 0.26833149288291985
Energy: 0.27916379492835375
Energy: 0.26833149288291985
Energy: 0.26911881422948075
Energy: 0.27447256626407784
Energy: 0.5531355470364604
Energy: 0.27447256551427396
Energy: 0.26371778518506306
Energy: 0.26821228694164395
Energy: 0.4347649150676188
Energy: 0.26821228694164395
Energy: 0.2685184535886328
Energy: 0.2722541365037955
Energy: 0.5529356440662532
Energy: 0.27225413650270597
Energy: 0.3535830231977529
Energy: 0.26822519686765145
Energy: 0.2791558953820507
Energy: 0.26822519686765145
Energy: 0.26914956290640896
Energy: 0.2741515045560882
Energy: 0.4883902213345951
Energy: 0.27415150455663295
Energy: 0.3614075252815407
Energy: 0.37621938454580045
Energy: 0.26796722911668186
Energy: 0.37621938454580045
Energy: 0.26852774975416244
Energy: 0.2730136137611748
Energy: 0.4230487197451504
Energy: 0.2730136137611748
Energy: 0.3591249124605816
Energy: 0.2685787027892349
Energy: 0.26871481929064006
Energy: 0.26857870279032453
Energy: 0.2691122932000387
Energy: 0.2828713095358682
Energy: 0.382220733293557
Energy: 0.2828713095347787
Energy: 0.36162651517929856
Energy: 0.2734146991930304
Energy: 0.2699953217284064
Energy: 0.2734146991554412
Energy: 0.26838454921653043
Energy: 0.27249123795039093
Energy: 0.2619930666515967
Energy: 0.27249123794984614
Energy: 0.5090368185347873
Energy: 0.26888946868771374
Energy: 0.26860053711830123
Energy: 0.268889468687169
Energy: 0.27971204076085715
Energy: 0.28280036077216403
Energy: 0.2590245586709228
Energy: 0.28280036077216403
Energy: 0.4933266518824541
Energy: 0.2739581572947925
Energy: 0.2700904232672716
Energy: 0.27395815729533723
Energy: 0.433856317885403
Energy: 0.26880990332341714
Energy: 0.2627463873251769
Energy: 0.2688099033228724
Energy: 0.5515525233706462
Energy: 0.27259708621952916
Energy: 0.26865648381378887
Energy: 0.27259708621898443
Energy: 0.27976551837861235
Energy: 0.3856423172329521
Energy: 0.25500140268484806
Energy: 0.3856423172318626
Energy: 0.4279267064759853
Energy: 0.27395447888017205
Energy: 0.26996999207682326
Energy: 0.2739544788785378
Energy: 0.26848214457710184
Energy: 0.3761780726784062
Energy: 0.36006494028933433
Energy: 0.3761780726789509
Energy: 0.42168152509330664
Energy: 0.27184259653092846
Energy: 0.26868506661807373
Energy: 0.27184259653038373
Energy: 0.2690507897992666
Energy: 0.38587913192581935
Energy: 0.35617152290273
Energy: 0.3858791319269089
Energy: 0.2653208335218397
Energy: 0.28269728149250445
Energy: 0.27001806074958884
Energy: 0.28269728149250445
Energy: 0.26542184320342654
Energy: 0.37663035814509466
Energy: 0.3650563949167854
Energy: 0.37663035814509466
Energy: 0.2625924126963142
Energy: 0.27186563779448947
Energy: 0.26930446757472093
Energy: 0.27186563779448947
Energy: 0.2691679766943563
Energy: 0.3868454344642654
Energy: 0.5072094292807329
Energy: 0.3868454344642654

minimum gb energy = 0.25500140268484806 eV
minimum distance =  2.55425943346203 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.4033986722813509
Energy: 0.2588786671083816
Energy: 0.2705656764473107
Energy: 0.2588786671083816
Energy: 0.4976502917382216
Energy: 0.25852482075808
Energy: 0.24344052274024236
Energy: 0.25852482075808
Energy: 0.38986125985152537
Energy: 0.2576857403903603
Energy: 0.2234216358343034
Energy: 0.2576857403903603
Energy: 0.4400579878287729
Energy: 0.258038889325764
Energy: 0.24340885056033187
Energy: 0.258038889325764
Energy: 0.25749701128891606
Energy: 0.24267865606184083
Energy: 0.2262366398689777
Energy: 0.24267865606184083
Energy: 0.3821683957814454
Energy: 0.2580312501962974
Energy: 0.24335903963491287
Energy: 0.2580312501962974
Energy: 0.2424216304960961
Energy: 0.2662861723730311
Energy: 0.24021959705396567
Energy: 0.2662861723730311
Energy: 0.3676299244609439
Energy: 0.2574935351386264
Energy: 0.24329410858074974
Energy: 0.25749353513815393
Energy: 0.2431554048590585
Energy: 0.2501303414940389
Energy: 0.31146047165273044
Energy: 0.2501303414940389
Energy: 0.2959528403982201
Energy: 0.2660669412712899
Energy: 0.24266431187874488
Energy: 0.2660669412712899
Energy: 0.24395381942860578
Energy: 0.2577089329436276
Energy: 0.3822772241666946
Energy: 0.2577089329436276
Energy: 0.22469956889204887
Energy: 0.25754052844605296
Energy: 0.2577604748688574
Energy: 0.25754052844605296
Energy: 0.24317667663912867
Energy: 0.24955254368494964
Energy: 0.43988529997374193
Energy: 0.24955254368494964
Energy: 0.22301179072082827
Energy: 0.25769387571723695
Energy: 0.38850234981918097
Energy: 0.25769387571723695
Energy: 0.24394303049610455
Energy: 0.2584897236726777
Energy: 0.5442442612137863
Energy: 0.2584897236726777
Energy: 0.2250771060804724
Energy: 0.2589761719500994
Energy: 0.4027624597944768
Energy: 0.2589761719500994
Energy: 0.2431836433591107
Energy: 0.24957826236023636
Energy: 0.5445903030214535
Energy: 0.24957826236023636
Energy: 0.30538930718773427
Energy: 0.2577025012554848
Energy: 0.3886735665418882
Energy: 0.2577025012554848
Energy: 0.24396594539568692
Energy: 0.2584786263869253
Energy: 0.48577679103290805
Energy: 0.2584786263869253
Energy: 0.3105363694538665
Energy: 0.2595100568761835
Energy: 0.2578420034199411
Energy: 0.25951005688466666
Energy: 0.2432614189747051
Energy: 0.2495532381084603
Energy: 0.42678805051948066
Energy: 0.2495532381089328
Energy: 0.3093548572530537
Energy: 0.25781819623015556
Energy: 0.24263895008873365
Energy: 0.25781819623015556
Energy: 0.24391914323027528
Energy: 0.2578882337116031
Energy: 0.3674929242953238
Energy: 0.2578882337101856
Energy: 0.3178916471625474
Energy: 0.2669492915997305
Energy: 0.24338696346367092
Energy: 0.26694929159925807
Energy: 0.24318328608702325
Energy: 0.25735298042185584
Energy: 0.2958742582163158
Energy: 0.25735298042185584
Energy: 0.44878193299248215
Energy: 0.25777602770798386
Energy: 0.24487097037768907
Energy: 0.25777602770798386
Energy: 0.25813800535858966
Energy: 0.25815954828163673
Energy: 0.22399821023930563
Energy: 0.25815954828163673
Energy: 0.45518908667451313
Energy: 0.2669146251377602
Energy: 0.24341269139454647
Energy: 0.2669146251382327
Energy: 0.3881611770094325
Energy: 0.25797951685368214
Energy: 0.22429655806549298
Energy: 0.2579795168513197
Energy: 0.5473784109872738
Energy: 0.2585800446694212
Energy: 0.24486638405561084
Energy: 0.25858004466989365
Energy: 0.40277627626925994
Energy: 0.25727729728799054
Energy: 0.2238130915120044
Energy: 0.25727729728799054
Energy: 0.49968809026571964
Energy: 0.2659859815364642
Energy: 0.24341061193855024
Energy: 0.2659859815364642
Energy: 0.3881197431185752
Energy: 0.2579100984594419
Energy: 0.22367232181242933
Energy: 0.257910098455662
Energy: 0.4857559602619913
Energy: 0.2585940431326649
Energy: 0.24474248315039174
Energy: 0.258594043130775
Energy: 0.25828042409187724
Energy: 0.25781208937139966
Energy: 0.3099325205077031
Energy: 0.25781208937139966
Energy: 0.37644481209596675
Energy: 0.2660439573151976
Energy: 0.24339641072530382
Energy: 0.26604395730813185
Energy: 0.24320246852693622
Energy: 0.25793403042104707
Energy: 0.309715947717759
Energy: 0.25793403042104707
Energy: 0.3674328902107954
Energy: 0.25785974364188996
Energy: 0.2448789354109869
Energy: 0.25785974364188996
Energy: 0.24388357829323404
Energy: 0.2576213088106954
Energy: 0.31750111373979983
Energy: 0.2576213088149477
Energy: 0.23157693385178374
Energy: 0.27527259713261065
Energy: 0.2440771626693095
Energy: 0.27527259713261065
Energy: 0.24530501292236126
Energy: 0.2573409105285474
Energy: 0.4529813595631601
Energy: 0.25734091052807495
Energy: 0.22381634417673543
Energy: 0.25802987208684586
Energy: 0.25912988580183477
Energy: 0.25802987208684586
Energy: 0.24403971858414727
Energy: 0.25791713889960455
Energy: 0.45901716017727456
Energy: 0.25791713889960455

minimum gb energy = 0.22301179072082827 eV
minimum distance =  2.5682909298239 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011756671629343967
Energy: 0.012114176556262903
Energy: 0.3199199520224052
Energy: 0.012114176556262903
Energy: 0.32004324985697563
Energy: 0.11927594071089512
Energy: 0.11956546319885314
Energy: 0.11927594071089512
Energy: 0.011756671629343967
Energy: 0.012114176556262903
Energy: 0.319919951519387
Energy: 0.012114176556262903
Energy: 0.32004324985697563
Energy: 0.11927594071089512
Energy: 0.11956546319885314
Energy: 0.11927594071089512
Energy: 0.011756671629343967
Energy: 0.012114176556262903
Energy: 0.3199199518136753
Energy: 0.012114176556262903
Energy: 0.32004324985697563
Energy: 0.11927594071089512
Energy: 0.11956546319885314
Energy: 0.11927594071089512

minimum gb energy = 0.011756671629343967 eV
minimum distance =  2.81401123829456 Angstroms
sigma value = 1