Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_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=3.9946083426475534
cohesive_energy=3.2851228778493895
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: -6.30324146298057e-20 eV

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

Energy: 0.010392911995326272
Energy: 0.010734659696652247
Energy: 0.127632943644126
Energy: 0.010734659696652247
Energy: 0.010734659696652247
Energy: 0.45247773413331716
Energy: 0.010734659696652247
Energy: 0.45247773413331716
Energy: 0.127632943644126
Energy: 0.010734659696652247
Energy: 0.010392911995839943
Energy: 0.010734659696652247
Energy: 0.010734659696652247
Energy: 0.45247773413331716
Energy: 0.010734659696652247
Energy: 0.45247773413331716

minimum gb energy = 0.010392911995326272 eV
minimum distance =  2.69250927815955 Angstroms
sigma value = 1


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

Energy: 0.4708828174938853
Energy: 0.49302007337016174
Energy: 0.4336978365178468
Energy: 0.49302007337016174
Energy: 0.4534428510052846
Energy: 0.48207506881081125
Energy: 0.45366760048453997
Energy: 0.48207506881081125
Energy: 0.42046386611701
Energy: 0.48757386928898944
Energy: 0.4564051145069124
Energy: 0.48757386928898944
Energy: 0.44657665557122156
Energy: 0.49796737456373846
Energy: 0.4467166468754865
Energy: 0.49796737456373846
Energy: 0.4472025748025238
Energy: 0.49346833767585235
Energy: 0.4512545648566575
Energy: 0.49346833767585235
Energy: 0.4295525568753957
Energy: 0.47975192724508786
Energy: 0.43380768561891075
Energy: 0.47975192724508786
Energy: 0.45515142262265523
Energy: 0.48757676863977223
Energy: 0.43072751934178427
Energy: 0.48757676863977223
Energy: 0.39951138945624026
Energy: 0.4941371390996491
Energy: 0.4312974447737263
Energy: 0.4941371390996491
Energy: 0.44668066059643985
Energy: 0.4535280188890089
Energy: 0.4481545839183141
Energy: 0.4535280188890089
Energy: 0.43534220697947074
Energy: 0.4869852425933389
Energy: 0.39576012045912495
Energy: 0.48698524259396186
Energy: 0.44893249373313754
Energy: 0.4824120128020931
Energy: 0.44665721138026476
Energy: 0.4824120128020931
Energy: 0.4370721879416378
Energy: 0.49393074415848426
Energy: 0.44109963118999435
Energy: 0.49393074415848426
Energy: 0.4529125309263884
Energy: 0.48731985205356654
Energy: 0.45513902844924126
Energy: 0.48731985205356654
Energy: 0.454439984932152
Energy: 0.49046779472728014
Energy: 0.444331502305962
Energy: 0.49046779472728014
Energy: 0.44694854108247617
Energy: 0.4940941984969988
Energy: 0.45219092670340033
Energy: 0.4940941984969988
Energy: 0.45020633693973605
Energy: 0.4943793604992485
Energy: 0.4594976461952237
Energy: 0.4943793604992485
Energy: 0.45650073766922794
Energy: 0.4874877923902359
Energy: 0.42055258287852704
Energy: 0.4874877923902359
Energy: 0.4535173070514749
Energy: 0.4872935081362795
Energy: 0.4539907117733023
Energy: 0.4872935081362795
Energy: 0.40453034669233856
Energy: 0.4937514100073825
Energy: 0.442157810938708
Energy: 0.4937514100073825
Energy: 0.455594844777862
Energy: 0.4537064277291042
Energy: 0.4470545414878569
Energy: 0.4537064277291042
Energy: 0.4347170253592276
Energy: 0.4875056757303653
Energy: 0.39526166469306456
Energy: 0.4875056757303653
Energy: 0.44663491074531775
Energy: 0.48845092819640695
Energy: 0.4465928428973386
Energy: 0.48845092819640695
Energy: 0.44788400009620366
Energy: 0.4935301763880221
Energy: 0.42352912552910504
Energy: 0.4935301763880221
Energy: 0.4400521736241274
Energy: 0.48836728827324233
Energy: 0.429749462552744
Energy: 0.48836728827386533
Energy: 0.43068596315846486
Energy: 0.47891412914839127
Energy: 0.4550344415152162
Energy: 0.47891412914839127
Energy: 0.4489294944302493
Energy: 0.49378223638028956
Energy: 0.4233757824444622
Energy: 0.49378223638028956
Energy: 0.4471149765193114
Energy: 0.4902290925015079
Energy: 0.4465832455815525
Energy: 0.4902290925015079
Energy: 0.4213569319490066
Energy: 0.4874864487294947
Energy: 0.45262897238931266
Energy: 0.4874864487294947
Energy: 0.4533125972265176
Energy: 0.49449020872705385
Energy: 0.44907178623449034
Energy: 0.49449020872705385
Energy: 0.460818654814119
Energy: 0.4935400496573665
Energy: 0.4374557921690166
Energy: 0.4935400496573665
Energy: 0.45525117493459605
Energy: 0.49051701956199395
Energy: 0.45290208122215764
Energy: 0.49051701956199395
Energy: 0.4437916959988257
Energy: 0.48744225473466296
Energy: 0.45440113436948953
Energy: 0.48744225473466296
Energy: 0.4471288905378751
Energy: 0.4974290496316527
Energy: 0.4482019980640524
Energy: 0.4974290496316527

minimum gb energy = 0.39526166469306456 eV
minimum distance =  2.51617896964578 Angstroms
sigma value = 1


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

Energy: 0.5020552459606933
Energy: 0.5277849190342849
Energy: 0.46153716675225603
Energy: 0.5277849190342849
Energy: 0.4703992015016251
Energy: 0.5148752831870148
Energy: 0.4795886835082726
Energy: 0.5148752831870148
Energy: 0.4175927762424419
Energy: 0.5287923796724575
Energy: 0.47843853921931506
Energy: 0.5287923796724575
Energy: 0.46384633114381785
Energy: 0.49992250584926157
Energy: 0.45305502395888686
Energy: 0.49992250584926157
Energy: 0.46400490024633767
Energy: 0.519956004844831
Energy: 0.4659874924695438
Energy: 0.519956004844831
Energy: 0.47422716805491055
Energy: 0.5203186341466771
Energy: 0.46857972957985206
Energy: 0.5203186341466771
Energy: 0.4702859097619318
Energy: 0.5043075656759277
Energy: 0.45309347766098923
Energy: 0.504307565676638
Energy: 0.4174080225027664
Energy: 0.5287431789908851
Energy: 0.4614674494774503
Energy: 0.5287431789908851
Energy: 0.46419067347744436
Energy: 0.4876657756873622
Energy: 0.47906877273177284
Energy: 0.4876657756873622
Energy: 0.4665344736211397
Energy: 0.5285981076355587
Energy: 0.41744397290364244
Energy: 0.5285981076355587
Energy: 0.47011285615094417
Energy: 0.5037469421664802
Energy: 0.47969379394798706
Energy: 0.5037469421657699
Energy: 0.44091986676516576
Energy: 0.5241882595767468
Energy: 0.478442481123984
Energy: 0.5241882595767468
Energy: 0.4883204526940272
Energy: 0.5194337081501577
Energy: 0.45849724375311973
Energy: 0.5194337081501577
Energy: 0.4882938082201348
Energy: 0.5195753077898264
Energy: 0.4659974564187829
Energy: 0.5195753077898264
Energy: 0.44089513707615857
Energy: 0.5243121996090055
Energy: 0.47855756952515294
Energy: 0.5243121996090055
Energy: 0.47026670880075216
Energy: 0.5037309720031853
Energy: 0.4796915946985239
Energy: 0.5037309720031853
Energy: 0.466524071260278
Energy: 0.5287727697029042
Energy: 0.42878068359335403
Energy: 0.5287727697029042
Energy: 0.46419568932994987
Energy: 0.4877943262293763
Energy: 0.4789318068084017
Energy: 0.4877943262293763
Energy: 0.41739521709895655
Energy: 0.5287971918635289
Energy: 0.46145234142650987
Energy: 0.5287971918635289
Energy: 0.4702570200848933
Energy: 0.5046064027230545
Energy: 0.45373623209569636
Energy: 0.5046064027230545
Energy: 0.4741788433367994
Energy: 0.5201614749985264
Energy: 0.4613735338048304
Energy: 0.5201614749978162
Energy: 0.46384857576687627
Energy: 0.5201670707097087
Energy: 0.44419532718084676
Energy: 0.5201670707097087
Energy: 0.46381700826148153
Energy: 0.49986119664548756
Energy: 0.4529256835140216
Energy: 0.49986119664548756
Energy: 0.41767015697520843
Energy: 0.5287502986988595
Energy: 0.4784480136055119
Energy: 0.5287502986988595
Energy: 0.47037813043764787
Energy: 0.5145262914195138
Energy: 0.4795642494923501
Energy: 0.5145262914195138
Energy: 0.5020552459606933
Energy: 0.5277849190342849
Energy: 0.4398514220716481
Energy: 0.5277849190342849
Energy: 0.4703992015023355
Energy: 0.5148752831870148
Energy: 0.4795886835082726
Energy: 0.5148752831870148
Energy: 0.4175927762424419
Energy: 0.5287923796724575
Energy: 0.47843853921931506
Energy: 0.5287923796724575
Energy: 0.46384633114381785
Energy: 0.49992250584926157
Energy: 0.4521518154025495
Energy: 0.49992250584926157

minimum gb energy = 0.41739521709895655 eV
minimum distance =  2.50815652566927 Angstroms
sigma value = 25


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

Energy: 0.516273859646504
Energy: 0.5580144197199323
Energy: 0.4937053123280027
Energy: 0.5580144197191065
Energy: 0.5045033218675675
Energy: 0.533783395541523
Energy: 0.49869841532329384
Energy: 0.533783395541523
Energy: 0.4426390147832702
Energy: 0.5717116386480862
Energy: 0.5010077599102395
Energy: 0.5717116386480862
Energy: 0.4941138326947009
Energy: 0.543324332358731
Energy: 0.47752414816169064
Energy: 0.543324332358731
Energy: 0.4782875240940074
Energy: 0.5579409112991718
Energy: 0.4714156517611819
Energy: 0.5579409112991718
Energy: 0.5118727058506927
Energy: 0.5723443787289547
Energy: 0.48200861776091375
Energy: 0.5723443787289547
Energy: 0.5100675776776648
Energy: 0.5021694573242786
Energy: 0.4913207509366987
Energy: 0.5021694573242786
Energy: 0.509680184671201
Energy: 0.5577607520030898
Energy: 0.4521045117022163
Energy: 0.5577607520030898
Energy: 0.49180772607238693
Energy: 0.5326224527599531
Energy: 0.504618076293885
Energy: 0.5326224527599531
Energy: 0.5024944616813208
Energy: 0.5724208750000926
Energy: 0.47154068389862536
Energy: 0.5724208750000926
Energy: 0.49859760619280874
Energy: 0.5579287881216412
Energy: 0.4987380251846608
Energy: 0.5579287881216412
Energy: 0.48577465087130056
Energy: 0.5586851841169715
Energy: 0.49860346481621803
Energy: 0.5586851841169715
Energy: 0.5008186865552934
Energy: 0.5439516376911976
Energy: 0.4721656233482925
Energy: 0.5439516376911976
Energy: 0.4914281245665915
Energy: 0.5024341496338236
Energy: 0.5050535491132302
Energy: 0.5024341496338236
Energy: 0.4565335583303368
Energy: 0.557706090172588
Energy: 0.45133609162280913
Energy: 0.557706090172588
Energy: 0.49906308428558593
Energy: 0.502311038259459
Energy: 0.4781450634372345
Energy: 0.502311038259459
Energy: 0.4426714709813335
Energy: 0.5718913403064223
Energy: 0.44235869956188245
Energy: 0.5718913403064223
Energy: 0.4774772374255717
Energy: 0.5387910458745938
Energy: 0.49684959167144194
Energy: 0.5387910458745938
Energy: 0.4955878126034894
Energy: 0.5423919809374373
Energy: 0.47837626954044987
Energy: 0.5423919809374373
Energy: 0.4779278999630337
Energy: 0.5723141551883898
Energy: 0.4994370869137182
Energy: 0.5723141551883898
Energy: 0.5060898569830362
Energy: 0.5340672540445464
Energy: 0.5003719261896168
Energy: 0.5340672540445464
Energy: 0.5144003139684299
Energy: 0.5576708885309901
Energy: 0.5030546008593471
Energy: 0.5576708885309901
Energy: 0.5049861407609632
Energy: 0.5379106077064542
Energy: 0.4989572927080259
Energy: 0.5379106077072798
Energy: 0.44261569794082456
Energy: 0.5712830159350685
Energy: 0.5025602108946404
Energy: 0.5712830159350685
Energy: 0.4989077523068275
Energy: 0.5085127773487158
Energy: 0.4772775683030878
Energy: 0.5085127773487158

minimum gb energy = 0.44235869956188245 eV
minimum distance =  2.50762737747547 Angstroms
sigma value = 9


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

Energy: 0.5511332650992669
Energy: 0.550649593884817
Energy: 0.530987827015491
Energy: 0.550649593884817
Energy: 0.5244289010022586
Energy: 0.5796816336031966
Energy: 0.5384554411553604
Energy: 0.5796816336031966
Energy: 0.5039802802059701
Energy: 0.5511152269810052
Energy: 0.540924518107214
Energy: 0.5511152269810052
Energy: 0.548130527968264
Energy: 0.5929282148865089
Energy: 0.48862922031530315
Energy: 0.5929282148865089
Energy: 0.5580618635073802
Energy: 0.5801450147494848
Energy: 0.5376015064292712
Energy: 0.5801450147494848
Energy: 0.4701729630344832
Energy: 0.5478030022467006
Energy: 0.5196577624789791
Energy: 0.5478030022467006
Energy: 0.5435398270129534
Energy: 0.4884326167795712
Energy: 0.4890691048574566
Energy: 0.4884326167795712
Energy: 0.50591504344913
Energy: 0.5477842428951011
Energy: 0.4847762009921993
Energy: 0.5477842428951011
Energy: 0.5433484232262051
Energy: 0.5798422189634327
Energy: 0.5383004526237688
Energy: 0.5798422189634327
Energy: 0.5479259405838774
Energy: 0.5502869622984276
Energy: 0.48837838096636893
Energy: 0.5502869622984276
Energy: 0.5073486901493254
Energy: 0.5805575765355796
Energy: 0.5407358300664182
Energy: 0.5805575765355796
Energy: 0.5441522587000914
Energy: 0.5587849445027451
Energy: 0.48850146475099
Energy: 0.5587849445027451
Energy: 0.4703712031702947
Energy: 0.5505709606536715
Energy: 0.4881907988858073
Energy: 0.5505709606536715
Energy: 0.5132306207476254
Energy: 0.5498047136249349
Energy: 0.5379735784182175
Energy: 0.5498047136249349
Energy: 0.47037341692383755
Energy: 0.5511293862847106
Energy: 0.46771885038164607
Energy: 0.5511293862847106
Energy: 0.5484637840418085
Energy: 0.5587859663506568
Energy: 0.48858206946767174
Energy: 0.5587859663506568
Energy: 0.5074352753340114
Energy: 0.5805680021088624
Energy: 0.5407234502434889
Energy: 0.5805680021088624
Energy: 0.5479515668967505
Energy: 0.5500258900839745
Energy: 0.4883269197498085
Energy: 0.5500258900839745
Energy: 0.543305375011316
Energy: 0.5798384929480956
Energy: 0.5383080804591153
Energy: 0.5798384929480956
Energy: 0.5059012726003018
Energy: 0.5476634424848851
Energy: 0.48475010705327753
Energy: 0.5476634424848851
Energy: 0.543485202084248
Energy: 0.4885347764078947
Energy: 0.48895800285218566
Energy: 0.4885347764078947

minimum gb energy = 0.46771885038164607 eV
minimum distance =  2.58969412324395 Angstroms
sigma value = 25


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

Energy: 0.5198803994203949
Energy: 0.5985879849320609
Energy: 0.5820901101308704
Energy: 0.5985879849320609
Energy: 0.5096513263199379
Energy: 0.5870572067564862
Energy: 0.5026839823696145
Energy: 0.5870572067564862
Energy: 0.5030228521310174
Energy: 0.5528758328385457
Energy: 0.5025736704287874
Energy: 0.5528758328385457
Energy: 0.5198883793423202
Energy: 0.538340395696761
Energy: 0.555984083787002
Energy: 0.538340395696761
Energy: 0.5547278721329311
Energy: 0.5103978277538187
Energy: 0.5375221222052176
Energy: 0.5103978277538187
Energy: 0.5039689617703604
Energy: 0.5991794729903499
Energy: 0.5042767945873914
Energy: 0.5991794729903499
Energy: 0.5026501292769199
Energy: 0.5846494176888636
Energy: 0.5027671444980345
Energy: 0.5846494176888636
Energy: 0.5545142279863929
Energy: 0.6357726069717103
Energy: 0.5198329108721144
Energy: 0.6357726069717103
Energy: 0.5026502761438797
Energy: 0.5863349029600877
Energy: 0.510173511456842
Energy: 0.5863349029600877
Energy: 0.575556171426732
Energy: 0.5527038578418313
Energy: 0.5039660152207482
Energy: 0.5527038578418313
Energy: 0.5296510150794442
Energy: 0.6344252262083567
Energy: 0.6018947781923281
Energy: 0.6344252262095749
Energy: 0.5028941067994952
Energy: 0.5229088663139501
Energy: 0.576134936825614
Energy: 0.5229088663139501
Energy: 0.5484488469874157
Energy: 0.5530480180934945
Energy: 0.5025804509567395
Energy: 0.5530480180934945
Energy: 0.5024356126100563
Energy: 0.5382040532819965
Energy: 0.519834345105456
Energy: 0.5382040532819965
Energy: 0.5214978044924172
Energy: 0.573282528520666
Energy: 0.5517075259889429
Energy: 0.573282528520666
Energy: 0.5102013424116364
Energy: 0.5634894337985897
Energy: 0.5039570456906348
Energy: 0.5634894337985897
Energy: 0.5027632564723896
Energy: 0.5475131968382484
Energy: 0.5765582428719349
Energy: 0.5475131968382484

minimum gb energy = 0.5024356126100563 eV
minimum distance =  2.57400671346662 Angstroms
sigma value = 17


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

Energy: 0.5772890906277843
Energy: 0.57668490974873
Energy: 0.6190513503210949
Energy: 0.57668490974873
Energy: 0.5718243755230239
Energy: 0.5528812832406993
Energy: 0.5174788900078148
Energy: 0.5528812832406993
Energy: 0.5685695774741409
Energy: 0.5741629461986724
Energy: 0.5171619628010304
Energy: 0.5741629461986724
Energy: 0.5180305217154269
Energy: 0.5746877792585012
Energy: 0.5514831636820948
Energy: 0.5746877792585012
Energy: 0.5853403587478727
Energy: 0.6110646036385184
Energy: 0.5177252017561164
Energy: 0.6110646036385184
Energy: 0.5247037352392026
Energy: 0.5369705475842239
Energy: 0.5661819217472641
Energy: 0.5369705475842239
Energy: 0.5197041154024722
Energy: 0.5770279472765233
Energy: 0.5176008073641163
Energy: 0.5770279472765233
Energy: 0.562121166568638
Energy: 0.5244301511137046
Energy: 0.5274219186170717
Energy: 0.5244301511137046
Energy: 0.5260326077087724
Energy: 0.5998216850166334
Energy: 0.5830027366021562
Energy: 0.5998216850166334
Energy: 0.6146526139978858
Energy: 0.560064906486552
Energy: 0.5211938571937614
Energy: 0.560064906486552
Energy: 0.519203738348395
Energy: 0.5246238892926266
Energy: 0.5689255795606886
Energy: 0.5246238892926266
Energy: 0.5273604835088525
Energy: 0.5756942792593218
Energy: 0.5276627582416404
Energy: 0.5756942792593218
Energy: 0.5682619183480895
Energy: 0.5245205111830356
Energy: 0.5253937353299758
Energy: 0.5245205111830356
Energy: 0.5212857342723527
Energy: 0.6411637229534822
Energy: 0.5748264751488078
Energy: 0.6411637229534822
Energy: 0.5590337621386837
Energy: 0.5782876253071372
Energy: 0.5260357423366456
Energy: 0.5782876253071372
Energy: 0.5710872829195577
Energy: 0.5761854105970529
Energy: 0.5622785499448534
Energy: 0.5761854105963631
Energy: 0.5174906072086833
Energy: 0.565684949017592
Energy: 0.6219240455524447
Energy: 0.565684949017592
Energy: 0.5694816566484634
Energy: 0.5726324913038718
Energy: 0.5247214153467644
Energy: 0.5726324913038718
Energy: 0.5174568223585195
Energy: 0.5808063518861489
Energy: 0.5536565697403606
Energy: 0.5808063518861489
Energy: 0.5171783433607612
Energy: 0.576490933814202
Energy: 0.5181971028183588
Energy: 0.576490933814202
Energy: 0.5409937628588551
Energy: 0.5733593471643104
Energy: 0.568536610639094
Energy: 0.5733593471643104
Energy: 0.517669231495007
Energy: 0.5949198091357221
Energy: 0.6130700385688924
Energy: 0.5949198091357221
Energy: 0.5386484721780775
Energy: 0.5775910458988524
Energy: 0.5175588601300036
Energy: 0.5775910458995422
Energy: 0.5233595513366078
Energy: 0.5790884748621392
Energy: 0.5677602456934592
Energy: 0.5790884748621392
Energy: 0.5237197915024618
Energy: 0.5738779235085651
Energy: 0.5687432460065203
Energy: 0.5738779235085651
Energy: 0.5763567322844194
Energy: 0.5757614051002935
Energy: 0.5177002155446724
Energy: 0.5757614051002935
Energy: 0.5177527550955473
Energy: 0.6266649349541528
Energy: 0.630941693457426
Energy: 0.6266649349541528
Energy: 0.5657983858251475
Energy: 0.5373832820199755
Energy: 0.5676113631420411
Energy: 0.5373832820199755
Energy: 0.6101317436933903
Energy: 0.5593832136817098
Energy: 0.5194433804550892
Energy: 0.5593832136817098
Energy: 0.5274892651963847
Energy: 0.5994841543143321
Energy: 0.5688942111016463
Energy: 0.5994841543143321

minimum gb energy = 0.5171619628010304 eV
minimum distance =  2.49388954895741 Angstroms
sigma value = 53


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

Energy: 0.5041749179286237
Energy: 0.5037573892687844
Energy: 0.6292011891533957
Energy: 0.5037573892687844
Energy: 0.5887420932587772
Energy: 0.5433036904108856
Energy: 0.5481035471488985
Energy: 0.5433036904108856
Energy: 0.5047378835439315
Energy: 0.5036901744146545
Energy: 0.5230012526228761
Energy: 0.5036901744146545
Energy: 0.5048187616102399
Energy: 0.5041359753477507
Energy: 0.5229482019021726
Energy: 0.5041359753477507
Energy: 0.5886574105030075
Energy: 0.5432265063899137
Energy: 0.5479564418144897
Energy: 0.5432265063899137
Energy: 0.5041749179286237
Energy: 0.5037573892687844
Energy: 0.6080346361589704
Energy: 0.5037573892687844
Energy: 0.5887420932587772
Energy: 0.5433036904108856
Energy: 0.5733831675898365
Energy: 0.5433036904108856
Energy: 0.5047378835439315
Energy: 0.5036901744146545
Energy: 0.5474510966879806
Energy: 0.5036901744146545
Energy: 0.5048187616102399
Energy: 0.5041359753477507
Energy: 0.5482390380048403
Energy: 0.5041359753477507
Energy: 0.5886574105030075
Energy: 0.5432265063899137
Energy: 0.5731307899272189
Energy: 0.5432265063899137
Energy: 0.5041749179286237
Energy: 0.5037573892687844
Energy: 0.6028437228427054
Energy: 0.5037573892687844
Energy: 0.5887420932587772
Energy: 0.5433036904108856
Energy: 0.5733831675898365
Energy: 0.5433036904108856
Energy: 0.5047378835439315
Energy: 0.5036901744146545
Energy: 0.5740189770063844
Energy: 0.5036901744146545

minimum gb energy = 0.5036901744146545 eV
minimum distance =  2.55010096405085 Angstroms
sigma value = 9


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

Energy: 0.5541853468080782
Energy: 0.6254639483594934
Energy: 0.6658525122576825
Energy: 0.6254639483594934
Energy: 0.6019846095812343
Energy: 0.5707203684540092
Energy: 0.5483686017902913
Energy: 0.5707203684540092
Energy: 0.5381468626011029
Energy: 0.5475062678473583
Energy: 0.5477518906458497
Energy: 0.5475062678473583
Energy: 0.5838072204625969
Energy: 0.6276103255764743
Energy: 0.5486998879453778
Energy: 0.6276103255764743
Energy: 0.6006648751944254
Energy: 0.5753464669909595
Energy: 0.5467675792145192
Energy: 0.5753464669909595
Energy: 0.5478231422554751
Energy: 0.5473178465811488
Energy: 0.5872433478170731
Energy: 0.5473178465811488
Energy: 0.672818927197241
Energy: 0.5727990278967157
Energy: 0.5476717341328862
Energy: 0.5727990278967157
Energy: 0.5418767581081154
Energy: 0.6288370631837576
Energy: 0.5909800904319886
Energy: 0.6288370631837576
Energy: 0.5395332793689861
Energy: 0.6410108543666774
Energy: 0.5479289727225124
Energy: 0.6410108543666774
Energy: 0.5384738148843019
Energy: 0.5700921108778629
Energy: 0.5475620048855752
Energy: 0.5700921108778629
Energy: 0.5426870641944012
Energy: 0.6224310250562628
Energy: 0.6553576988239143
Energy: 0.6224310250562628
Energy: 0.5991486817777715
Energy: 0.6097380008839874
Energy: 0.5431754548871304
Energy: 0.6097380008839874
Energy: 0.5398497118613064
Energy: 0.5815501185807869
Energy: 0.6292175859449975
Energy: 0.5815501185807869
Energy: 0.5857161767260283
Energy: 0.5915189520331237
Energy: 0.5542271950309435
Energy: 0.5915189520337115
Energy: 0.5454109558113571
Energy: 0.6091370172403452
Energy: 0.5908723375732927
Energy: 0.6091370172403452
Energy: 0.5409598233413562
Energy: 0.629750295339367
Energy: 0.5829281541126407
Energy: 0.629750295339367
Energy: 0.5696571443705469
Energy: 0.6090188761811568
Energy: 0.5449246576904258
Energy: 0.6090188761811568
Energy: 0.54521719602804
Energy: 0.57269044867633
Energy: 0.5993571155340072
Energy: 0.57269044867633
Energy: 0.6014068500899826
Energy: 0.5809934245453799
Energy: 0.5471044948517819
Energy: 0.5809934245453799
Energy: 0.5434016142129796
Energy: 0.5764762968027815
Energy: 0.5764512841128372
Energy: 0.5764762968027815
Energy: 0.5874668201620631
Energy: 0.624979238098793
Energy: 0.5838989257013918
Energy: 0.624979238098793
Energy: 0.5804790986484275
Energy: 0.5987996707524225
Energy: 0.5386482155008172
Energy: 0.5987996707524225
Energy: 0.5476971663304859
Energy: 0.6122496693650645
Energy: 0.5396990223570243
Energy: 0.6122496693650645
Energy: 0.6654385723938514
Energy: 0.5772493264973653
Energy: 0.5416573076786747
Energy: 0.5772493264973653
Energy: 0.547921358174431
Energy: 0.6124623644046606
Energy: 0.6441912207560376
Energy: 0.6124623644052485
Energy: 0.5676000247566538
Energy: 0.5472150837233853
Energy: 0.5388078655600499
Energy: 0.5472150837233853
Energy: 0.5934635664502826
Energy: 0.6121196280626704
Energy: 0.5836009163412997
Energy: 0.6121196280626704
Energy: 0.5541711476391802
Energy: 0.627777925446872
Energy: 0.58350925238278
Energy: 0.627777925446872
Energy: 0.5683376638009627
Energy: 0.5477429132190482
Energy: 0.5379606282490589
Energy: 0.5477429132190482
Energy: 0.5483180565565643
Energy: 0.6114500372851005
Energy: 0.645231837572849
Energy: 0.6114500372851005
Energy: 0.6387626414788207
Energy: 0.5773527949971933
Energy: 0.5411791091210958
Energy: 0.5773527949971933
Energy: 0.548476966558816
Energy: 0.5725403151412575
Energy: 0.5385359155627915
Energy: 0.5725403151418452
Energy: 0.5484498122693487
Energy: 0.6014038546618581
Energy: 0.5380981783769558
Energy: 0.6014038546618581
Energy: 0.5891576473042895
Energy: 0.6276029903826545
Energy: 0.583177195638579
Energy: 0.6276029903826545
Energy: 0.5472094922357134
Energy: 0.6199482858124121
Energy: 0.6719397591938636
Energy: 0.6199482858124121

minimum gb energy = 0.5379606282490589 eV
minimum distance =  2.51221871859667 Angstroms
sigma value = 73


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

Energy: 0.5899450302635121
Energy: 0.5834003374227684
Energy: 0.6667366002260245
Energy: 0.5834003374227684
Energy: 0.577669462826217
Energy: 0.5931310707974029
Energy: 0.5480994667219748
Energy: 0.5931310707974029
Energy: 0.5436122242097532
Energy: 0.5775859866828204
Energy: 0.5449862522777917
Energy: 0.5775859866837529
Energy: 0.5351292656448703
Energy: 0.616574943778328
Energy: 0.5535728728303301
Energy: 0.616574943778328
Energy: 0.561108238616862
Energy: 0.5899343491006622
Energy: 0.5640407442415285
Energy: 0.5899343491006622
Energy: 0.5512046874712674
Energy: 0.6408750990993692
Energy: 0.6098532994086079
Energy: 0.6408750990993692
Energy: 0.6721881795979882
Energy: 0.6133838340474868
Energy: 0.5463240546975185
Energy: 0.6133838340474868
Energy: 0.5398821981682097
Energy: 0.549472786838835
Energy: 0.630467177447376
Energy: 0.549472786838835
Energy: 0.642810604864024
Energy: 0.5459104829433462
Energy: 0.5470786941845597
Energy: 0.5459104829433462
Energy: 0.543570909726481
Energy: 0.5814632330961049
Energy: 0.5432346096681836
Energy: 0.5814632330961049
Energy: 0.5405965886031803
Energy: 0.5458304025921752
Energy: 0.6165146414581993
Energy: 0.5458304025921752
Energy: 0.603639984757369
Energy: 0.6177775738549036
Energy: 0.5352917824634207
Energy: 0.6177775738549036
Energy: 0.5527603989475908
Energy: 0.5811641887365012
Energy: 0.6366177134600074
Energy: 0.5811641887365012
Energy: 0.6372922527898816
Energy: 0.6137640737218771
Energy: 0.5511650052720747
Energy: 0.6137640737218771
Energy: 0.5365758992585692
Energy: 0.6240415006768428
Energy: 0.6255929402843103
Energy: 0.6240415006768428
Energy: 0.6221445507717887
Energy: 0.5461781726021481
Energy: 0.5403482411975942
Energy: 0.5461781726021481
Energy: 0.5769053723804218
Energy: 0.5765930764521792
Energy: 0.5433387280395935
Energy: 0.5765930764521792
Energy: 0.5792949180394522
Energy: 0.6227141761560819
Energy: 0.5446472061035273
Energy: 0.6227141761560819
Energy: 0.5969274152933274
Energy: 0.5513704820241022
Energy: 0.5394089580440397
Energy: 0.5513704820241022
Energy: 0.547962280847051
Energy: 0.5884010290542717
Energy: 0.6666706027279902
Energy: 0.5884010290533389
Energy: 0.6187409359859771
Energy: 0.5444070154150462
Energy: 0.5509724182290056
Energy: 0.5444070154150462
Energy: 0.5535789658305508
Energy: 0.5906544184522716
Energy: 0.6062305655783038
Energy: 0.5906544184522716

minimum gb energy = 0.5351292656448703 eV
minimum distance =  2.51613537602485 Angstroms
sigma value = 7


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

Energy: 0.5906321342642422
Energy: 0.5845019182872435
Energy: 0.6768905819107874
Energy: 0.5845019182872435
Energy: 0.656546699137623
Energy: 0.5826727961963553
Energy: 0.5506478315091071
Energy: 0.5826727961963553
Energy: 0.5465509179009649
Energy: 0.5583947787119029
Energy: 0.5516937620765253
Energy: 0.5583947787112434
Energy: 0.5506710014329694
Energy: 0.6100148002073666
Energy: 0.5558177235158758
Energy: 0.6100148002073666
Energy: 0.5497286031364705
Energy: 0.5850146263975564
Energy: 0.5751244128673099
Energy: 0.5850146263975564
Energy: 0.5481421685353529
Energy: 0.5584630310759428
Energy: 0.6162952283107729
Energy: 0.5584630310759428
Energy: 0.6083955727765068
Energy: 0.6067150409391792
Energy: 0.5541934678792491
Energy: 0.6067150409391792
Energy: 0.5479389664493629
Energy: 0.5588560032496535
Energy: 0.6355334099101667
Energy: 0.5588560032496535
Energy: 0.6042574325835656
Energy: 0.6067400035799672
Energy: 0.5553830446062329
Energy: 0.6067400035799672
Energy: 0.5438090003490186
Energy: 0.5916953155802396
Energy: 0.62009673840557
Energy: 0.5916953155802396
Energy: 0.5524065267814857
Energy: 0.6311613555011095
Energy: 0.5530103918168627
Energy: 0.631161355501769
Energy: 0.5613169444713603
Energy: 0.6048897072986845
Energy: 0.5515415549278859
Energy: 0.604889707298025
Energy: 0.5593113306731112
Energy: 0.6256715598360799
Energy: 0.5530867745726972
Energy: 0.6256715598360799
Energy: 0.5596682488473682
Energy: 0.5570533886538005
Energy: 0.5523820981417578
Energy: 0.55705338865446
Energy: 0.5444985438333663
Energy: 0.6719814657797518
Energy: 0.6231012992151853
Energy: 0.6719814657797518
Energy: 0.6324406229224214
Energy: 0.5785484195207222
Energy: 0.560440179892764
Energy: 0.5785484195200628
Energy: 0.5483205635807278
Energy: 0.5876385928473875
Energy: 0.5852388682755554
Energy: 0.5876385928473875
Energy: 0.5568604720591144
Energy: 0.6244422226398912
Energy: 0.551365981931445
Energy: 0.6244422226398912
Energy: 0.5485026889401793
Energy: 0.5579091481178545
Energy: 0.5530695223938823
Energy: 0.5579091481178545
Energy: 0.5483354313170047
Energy: 0.5878627630220503
Energy: 0.5743166963036325
Energy: 0.5878627630220503
Energy: 0.5540046700802731
Energy: 0.630866897578817
Energy: 0.5556958179279687
Energy: 0.630866897578817
Energy: 0.5434758883010845
Energy: 0.5593866971627101
Energy: 0.5994615237655573
Energy: 0.5593866971627101
Energy: 0.6422937848184427
Energy: 0.5832996960883009
Energy: 0.5534062111742257
Energy: 0.5832996960876414
Energy: 0.5835668563972456
Energy: 0.5822708821840671
Energy: 0.6350223756779289
Energy: 0.5822708821840671
Energy: 0.5832614578221051
Energy: 0.5847546950401417
Energy: 0.5542838776745181
Energy: 0.5847546950401417
Energy: 0.549487854392272
Energy: 0.6303040722053627
Energy: 0.5540353158307195
Energy: 0.6303040722053627
Energy: 0.5466697827375976
Energy: 0.6125348463644628
Energy: 0.5743601230006892
Energy: 0.6125348463644628
Energy: 0.5704502715121947
Energy: 0.5833810067752173
Energy: 0.5556992392151267
Energy: 0.5833810067752173
Energy: 0.5519493555408516
Energy: 0.5612999892560644
Energy: 0.5564106691893438
Energy: 0.5612999892560644
Energy: 0.5894393103265461
Energy: 0.5764871990086955
Energy: 0.5505212729799401
Energy: 0.5764871990086955
Energy: 0.5519339192120223
Energy: 0.5616739325529378
Energy: 0.584695917242943
Energy: 0.5616739325529378

minimum gb energy = 0.5434758883010845 eV
minimum distance =  2.49746032343635 Angstroms
sigma value = 29


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

Energy: 0.5427273303867224
Energy: 0.5264146873212646
Energy: 0.6628289654107413
Energy: 0.5264146873212646
Energy: 0.5217978595278979
Energy: 0.5446730227094945
Energy: 0.5455101921980254
Energy: 0.5446730227094945
Energy: 0.5300940935101984
Energy: 0.5742706466189446
Energy: 0.5848349090009343
Energy: 0.5742706466189446
Energy: 0.5451853107426625
Energy: 0.5220460442605892
Energy: 0.5382283166275074
Energy: 0.5220460442605892
Energy: 0.5433701767877568
Energy: 0.5600158115854953
Energy: 0.5295157579763871
Energy: 0.5600158115854953
Energy: 0.5247168400786583
Energy: 0.5710052524010549
Energy: 0.5247084530872919
Energy: 0.5710052524010549
Energy: 0.5296595378541367
Energy: 0.5599789129926627
Energy: 0.5432616754328832
Energy: 0.5599789129926627
Energy: 0.5382311043664001
Energy: 0.5219083081495796
Energy: 0.5451666093686542
Energy: 0.5219083081495796
Energy: 0.5849021397910019
Energy: 0.5742742898723046
Energy: 0.5372138341749395
Energy: 0.5742742898723046

minimum gb energy = 0.5217978595278979 eV
minimum distance =  2.55208092448294 Angstroms
sigma value = 5


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

Energy: 0.515965417035787
Energy: 0.5234409071218424
Energy: 0.6638396079887661
Energy: 0.5234409071218424
Energy: 0.5079764335481267
Energy: 0.5457595951997454
Energy: 0.4948105534368749
Energy: 0.5457595951997454
Energy: 0.4999573612656009
Energy: 0.517159480959728
Energy: 0.5948486511464043
Energy: 0.517159480959728
Energy: 0.49266048516540334
Energy: 0.5408597305333371
Energy: 0.5021452069438904
Energy: 0.5408597305333371
Energy: 0.5061177992714218
Energy: 0.5450125058640248
Energy: 0.5998754517105698
Energy: 0.5450125058640248
Energy: 0.5144962561612008
Energy: 0.5235461246808636
Energy: 0.49481390428413236
Energy: 0.5235461246808636
Energy: 0.4989801521155457
Energy: 0.5456475106620973
Energy: 0.5034312396192335
Energy: 0.5456475106620973
Energy: 0.49647128578394334
Energy: 0.5245381664415858
Energy: 0.4966289405037066
Energy: 0.5245381664415858
Energy: 0.5054712782686339
Energy: 0.545713489936046
Energy: 0.4963370435237426
Energy: 0.545713489936046
Energy: 0.5042379107895434
Energy: 0.5454676266857976
Energy: 0.4939340987453341
Energy: 0.5454676266857976
Energy: 0.503408261542998
Energy: 0.5244200993488572
Energy: 0.49784278112382624
Energy: 0.5244200993488572
Energy: 0.49918770539743035
Energy: 0.5510361108315308
Energy: 0.5392152527816112
Energy: 0.5510361108315308
Energy: 0.5150944397535678
Energy: 0.5231899050424645
Energy: 0.5221026458322149
Energy: 0.5231899050424645
Energy: 0.5071842762927339
Energy: 0.5246764074468954
Energy: 0.5212641494134279
Energy: 0.5246764074468954
Energy: 0.514791157304968
Energy: 0.5412542259235457
Energy: 0.4969390279137933
Energy: 0.5412542259235457
Energy: 0.5046384459232537
Energy: 0.5168494738357415
Energy: 0.5053371049443657
Energy: 0.5168494738357415
Energy: 0.5778071570134822
Energy: 0.5517855603708162
Energy: 0.5039652673485246
Energy: 0.5517855603708162
Energy: 0.5072848849009993
Energy: 0.5235116099637434
Energy: 0.5402626446981236
Energy: 0.5235116099637434
Energy: 0.4990742922758323
Energy: 0.5454880910126643
Energy: 0.49519399404707526
Energy: 0.5454880910126643
Energy: 0.4990155291716567
Energy: 0.5365187314312141
Energy: 0.5182134135766323
Energy: 0.5365187314312141
Energy: 0.49210623689860505
Energy: 0.5402850878068073
Energy: 0.5028166416216722
Energy: 0.5402850878068073
Energy: 0.505730774202649
Energy: 0.5466143155803203
Energy: 0.5097458741553265
Energy: 0.5466143155803203
Energy: 0.49487739044995316
Energy: 0.5240389207909889
Energy: 0.4921231518676784
Energy: 0.5240389207909889
Energy: 0.5346841795056942
Energy: 0.5245423071984402
Energy: 0.49914901146154017
Energy: 0.5245423071984402
Energy: 0.5254598214528389
Energy: 0.5179078624712259
Energy: 0.4955565303326527
Energy: 0.5179078624712259
Energy: 0.5161134477021398
Energy: 0.5240325272377058
Energy: 0.5064044272144861
Energy: 0.5240325272377058
Energy: 0.4946616880237042
Energy: 0.5363830230047109
Energy: 0.5093036313206377
Energy: 0.5363830230047109
Energy: 0.5182556818986158
Energy: 0.5436433536253197
Energy: 0.5046185442833397
Energy: 0.5436433536253197
Energy: 0.49772443009904177
Energy: 0.5308430594128253
Energy: 0.5828584747445315
Energy: 0.5308430594128253
Energy: 0.5610211520380446
Energy: 0.5235435085223847
Energy: 0.5073452131022189
Energy: 0.5235435085223847
Energy: 0.4947219686135767
Energy: 0.5087048653435694
Energy: 0.5597985363717177
Energy: 0.5087048653429463
Energy: 0.5964681638576701
Energy: 0.5266160860456804
Energy: 0.4989769546309096
Energy: 0.5266160860456804
Energy: 0.5026473394851062
Energy: 0.5414374222669228
Energy: 0.49469226505953734
Energy: 0.5414374222669228

minimum gb energy = 0.49210623689860505 eV
minimum distance =  2.52076171426967 Angstroms
sigma value = 1


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

Energy: 0.5668634728859313
Energy: 0.4981597711694629
Energy: 0.6540435580454714
Energy: 0.4981597711694629
Energy: 0.5150493996501629
Energy: 0.5255520500929383
Energy: 0.4768016335773831
Energy: 0.5255520500929383
Energy: 0.47540203539519
Energy: 0.49778684482134494
Energy: 0.5648546285025058
Energy: 0.49778684482134494
Energy: 0.47787791800728346
Energy: 0.5254349865530864
Energy: 0.4887917522982212
Energy: 0.5254349865530864
Energy: 0.46717802527886637
Energy: 0.544052972479958
Energy: 0.6349851163300768
Energy: 0.544052972479958
Energy: 0.4664889214022465
Energy: 0.4991054270426933
Energy: 0.4889269537708729
Energy: 0.4991054270426933
Energy: 0.47461325080214967
Energy: 0.5466254637680212
Energy: 0.5541461006401627
Energy: 0.5466254637680212
Energy: 0.4763110851469779
Energy: 0.49932636577245215
Energy: 0.4945662242445249
Energy: 0.49932636577245215
Energy: 0.4978011101359
Energy: 0.4994928735642889
Energy: 0.49143015089463676
Energy: 0.49949287356515026
Energy: 0.4978316458549022
Energy: 0.4978929638357397
Energy: 0.4955301611222935
Energy: 0.4978929638357397
Energy: 0.47470660319466956
Energy: 0.49916744226280185
Energy: 0.4811327164891412
Energy: 0.49916744226280185
Energy: 0.476437465923468
Energy: 0.5441880713598508
Energy: 0.5456059808251423
Energy: 0.5441880713598508
Energy: 0.46655628162358814
Energy: 0.4990533401377255
Energy: 0.48851492207565445
Energy: 0.4990533401377255
Energy: 0.4669686505890819
Energy: 0.49814744178131115
Energy: 0.5563517245368131
Energy: 0.49814744178131115
Energy: 0.4916801686940695
Energy: 0.5258509501467971
Energy: 0.48826018900588003
Energy: 0.5258509501467971
Energy: 0.47551902956494313
Energy: 0.49769137265030533
Energy: 0.5598153330271629
Energy: 0.49769137265030533
Energy: 0.5574292301787053
Energy: 0.5026300020598315
Energy: 0.4767194791478762
Energy: 0.5026300020598315
Energy: 0.56686347288507
Energy: 0.4981597711694629
Energy: 0.5658830614835866
Energy: 0.4981597711694629
Energy: 0.5150493996501629
Energy: 0.5255520500929383
Energy: 0.4768016335773831
Energy: 0.5255520500929383
Energy: 0.47540203539519
Energy: 0.49778684482134494
Energy: 0.5640886475151589
Energy: 0.49778684482134494
Energy: 0.47787791800728346
Energy: 0.5254349865530864
Energy: 0.4887917522982212
Energy: 0.5254349865530864
Energy: 0.46717802527886637
Energy: 0.544052972479958
Energy: 0.596234845528744
Energy: 0.544052972479958
Energy: 0.4664889214031079
Energy: 0.4991054270426933
Energy: 0.4889269537708729
Energy: 0.4991054270426933
Energy: 0.47461325080214967
Energy: 0.5466254637680212
Energy: 0.4902591265285092
Energy: 0.5466254637680212

minimum gb energy = 0.4664889214022465 eV
minimum distance =  2.51656172694539 Angstroms
sigma value = 17


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

Energy: 0.4935298844764462
Energy: 0.4931467361663032
Energy: 0.6528481329517252
Energy: 0.4931467361663032
Energy: 0.5579349622267812
Energy: 0.4853134755353427
Energy: 0.47343090172693697
Energy: 0.4853134755353427
Energy: 0.47184772864305136
Energy: 0.4851898031071409
Energy: 0.5946142400860144
Energy: 0.4851898031071409
Energy: 0.4854800217365713
Energy: 0.47213044799120824
Energy: 0.47003667852207826
Energy: 0.47213044799174064
Energy: 0.46717108947577785
Energy: 0.521968181460927
Energy: 0.4832211293899065
Energy: 0.5219681814614593
Energy: 0.4654041315799426
Energy: 0.5735734541379904
Energy: 0.47807314766718684
Energy: 0.5735734541379904
Energy: 0.474737022371124
Energy: 0.5128673195885436
Energy: 0.4987802888349559
Energy: 0.5128673195885436
Energy: 0.46756030933249526
Energy: 0.5774109760271499
Energy: 0.465424285882832
Energy: 0.5774109760276822
Energy: 0.4896420858859923
Energy: 0.5766971644149352
Energy: 0.48708907824223263
Energy: 0.5766971644149352
Energy: 0.4916076519289533
Energy: 0.50945412022737
Energy: 0.47345916501676727
Energy: 0.50945412022737
Energy: 0.4724988180748955
Energy: 0.4973472024777001
Energy: 0.4648154852871155
Energy: 0.4973472024777001
Energy: 0.47332603606786394
Energy: 0.5101807745726578
Energy: 0.46800862715943375
Energy: 0.5101807745726578
Energy: 0.4643117747594034
Energy: 0.505456153515654
Energy: 0.4702703648998506
Energy: 0.505456153515654
Energy: 0.46735999217671087
Energy: 0.5215356250811303
Energy: 0.5051945163421004
Energy: 0.5215356250811303
Energy: 0.4663194335582828
Energy: 0.47446904103235993
Energy: 0.49450085812658945
Energy: 0.47446904103235993
Energy: 0.4724956922014146
Energy: 0.48557666438989755
Energy: 0.5585132382898115
Energy: 0.48557666438989755
Energy: 0.4763682655850737
Energy: 0.4737480270829878
Energy: 0.47132463137676184
Energy: 0.4737480270835202
Energy: 0.47147686970539004
Energy: 0.4926520200674203
Energy: 0.4728564509709861
Energy: 0.4926520200674203
Energy: 0.5508780561004882
Energy: 0.5099879280056566
Energy: 0.4735741847972631
Energy: 0.5099879280045918
Energy: 0.47953853676167
Energy: 0.4857429286703115
Energy: 0.5470916638951128
Energy: 0.4857429286703115
Energy: 0.47331281612183224
Energy: 0.481170946251132
Energy: 0.471216217429893
Energy: 0.481170946251132
Energy: 0.4716635698239118
Energy: 0.49349055999796676
Energy: 0.4729478589606732
Energy: 0.49349055999796676
Energy: 0.4792937158256134
Energy: 0.4802699962063185
Energy: 0.4798425181308744
Energy: 0.48026999620685085
Energy: 0.47257916335421457
Energy: 0.5133027956505378
Energy: 0.555694517202709
Energy: 0.5133027956505378
Energy: 0.47993609337098514
Energy: 0.49283218406350404
Energy: 0.4711332909240884
Energy: 0.4928321840624392
Energy: 0.4706535793945757
Energy: 0.5223422278221387
Energy: 0.48208793252753845
Energy: 0.5223422278216064
Energy: 0.5466068874186486
Energy: 0.5035912434784138
Energy: 0.4728869654557589
Energy: 0.5035912434970474
Energy: 0.4953933758009348
Energy: 0.5690384368019955
Energy: 0.46535333077483293
Energy: 0.5690384368014629
Energy: 0.5013416941954137
Energy: 0.5214799493450053
Energy: 0.46799647777932724
Energy: 0.5214799493450053
Energy: 0.4704568756053931
Energy: 0.5042075254209396
Energy: 0.48828100895002
Energy: 0.5042075254209396
Energy: 0.4690156681491063
Energy: 0.5215475859597595
Energy: 0.4759764816516873
Energy: 0.5215475859602917
Energy: 0.4652860205289166
Energy: 0.5664933659417385
Energy: 0.47132562350202706
Energy: 0.5664933659417385
Energy: 0.47290352841725836
Energy: 0.5093926263875971
Energy: 0.5599620675906674
Energy: 0.5093926263875971
Energy: 0.48773473844986615
Energy: 0.5761615193635123
Energy: 0.4789680840580657
Energy: 0.5761615193635123
Energy: 0.46660925614877763
Energy: 0.49287193861396944
Energy: 0.4836013521927679
Energy: 0.49287193861396944
Energy: 0.49923652042858274
Energy: 0.5134761946556059
Energy: 0.47389354311376575
Energy: 0.5134761946561384
Energy: 0.4798519747124136
Energy: 0.4787048283279819
Energy: 0.4668455807636968
Energy: 0.4787048283242551
Energy: 0.4767539225518152
Energy: 0.5221803330144215
Energy: 0.47185108892696204
Energy: 0.5221803330144215

minimum gb energy = 0.4643117747594034 eV
minimum distance =  2.51824195599067 Angstroms
sigma value = 89


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

Energy: 0.43813269263366933
Energy: 0.43581532650248883
Energy: 0.6262085728510185
Energy: 0.43581532650248883
Energy: 0.4378481151536923
Energy: 0.45028398372809897
Energy: 0.43873590080042807
Energy: 0.45028398372809897
Energy: 0.43754796287191544
Energy: 0.5149312074023376
Energy: 0.6217700968553467
Energy: 0.5149312074023376
Energy: 0.4287981457972537
Energy: 0.45032295765046143
Energy: 0.4388599511557954
Energy: 0.45032295765046143
Energy: 0.4367939309435716
Energy: 0.47594650242279785
Energy: 0.435929406555283
Energy: 0.47594650242279785
Energy: 0.43796973856866894
Energy: 0.43529101947402843
Energy: 0.4360099521729281
Energy: 0.43529101947402843
Energy: 0.4375380216383799
Energy: 0.5150819373734467
Energy: 0.4363985890252059
Energy: 0.5150819373734467
Energy: 0.42534638821985293
Energy: 0.5125598004042311
Energy: 0.43870789965338436
Energy: 0.5125598004040886
Energy: 0.43703655773063116
Energy: 0.4758713475697371
Energy: 0.42753462550558685
Energy: 0.4758713475697371
Energy: 0.45254822450410526
Energy: 0.47384662405549455
Energy: 0.438355539588193
Energy: 0.4738466240541015
Energy: 0.437635682610351
Energy: 0.45221071578774286
Energy: 0.4362250564069917
Energy: 0.45221071578774286
Energy: 0.43513665058871825
Energy: 0.5137423079293612
Energy: 0.43868205081848255
Energy: 0.5137423079295037
Energy: 0.4371421362015603
Energy: 0.4358042196788932
Energy: 0.4281881861239868
Energy: 0.4358042196788932
Energy: 0.4385861060464569
Energy: 0.4747175913462237
Energy: 0.43856338898587244
Energy: 0.4747175913462237
Energy: 0.42385872709157313
Energy: 0.43573085892310776
Energy: 0.43719215850746074
Energy: 0.43573085892310776

minimum gb energy = 0.42385872709157313 eV
minimum distance =  2.5495420696198 Angstroms
sigma value = 13


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

Energy: 0.42610463633899104
Energy: 0.40730613789368175
Energy: 0.6128811429918044
Energy: 0.40730613789368175
Energy: 0.5004890310093781
Energy: 0.4181406456975173
Energy: 0.40295072064875015
Energy: 0.4181406456975173
Energy: 0.4081559808058536
Energy: 0.4077164826534648
Energy: 0.4888619975752909
Energy: 0.4077164826534648
Energy: 0.4103704572643555
Energy: 0.4180280623185817
Energy: 0.40143578629056537
Energy: 0.4180280623185817
Energy: 0.41217304066210486
Energy: 0.43858217447985354
Energy: 0.4080661393965033
Energy: 0.43858217447985354
Energy: 0.405880415162817
Energy: 0.41847227594130065
Energy: 0.414713940325893
Energy: 0.41847227594130065
Energy: 0.4122293725492351
Energy: 0.4401451686373554
Energy: 0.48481314847960555
Energy: 0.4401451686373554
Energy: 0.39723660586205933
Energy: 0.4181720962284176
Energy: 0.41459986296865525
Energy: 0.41817209622900153
Energy: 0.41238310862368577
Energy: 0.4400202553191549
Energy: 0.5520034990492101
Energy: 0.4400202553191549
Energy: 0.49306740311220737
Energy: 0.44848834207057703
Energy: 0.40153177211403757
Energy: 0.44848834207057703
Energy: 0.41228000112507746
Energy: 0.4495830675483266
Energy: 0.40138651362303057
Energy: 0.4495830675483266
Energy: 0.41826991446630124
Energy: 0.4488138485613216
Energy: 0.4016845048697848
Energy: 0.4488138485613216
Energy: 0.4281099267718362
Energy: 0.41582066365512527
Energy: 0.4010753619324721
Energy: 0.41582066365512527
Energy: 0.5578418772872328
Energy: 0.4490068952516846
Energy: 0.4015641870069901
Energy: 0.4490068952516846
Energy: 0.4101208869374035
Energy: 0.4077806788193519
Energy: 0.40236849580958806
Energy: 0.4077806788193519
Energy: 0.4156094342376827
Energy: 0.4488279077284239
Energy: 0.40341155958365904
Energy: 0.4488279077284239
Energy: 0.41033284847722246
Energy: 0.4077933553530771
Energy: 0.40332874161356597
Energy: 0.4077933553530771
Energy: 0.41100508325172763
Energy: 0.43856227380800855
Energy: 0.42017486009240973
Energy: 0.43856227380800855
Energy: 0.41035280463335394
Energy: 0.41630923167717715
Energy: 0.4201540711362871
Energy: 0.41630923167717715
Energy: 0.4102239027133743
Energy: 0.41666421678408794
Energy: 0.42015802745723513
Energy: 0.41666421678408794
Energy: 0.411305501678409
Energy: 0.43865388996891036
Energy: 0.42014452217198855
Energy: 0.43865388996891036
Energy: 0.4103622881956807
Energy: 0.4078916476542142
Energy: 0.4023371699018194
Energy: 0.407891647654798
Energy: 0.4157499492097022
Energy: 0.44896078801782274
Energy: 0.4026805123195845
Energy: 0.44896078801782274
Energy: 0.40963442561599156
Energy: 0.4078444083560828
Energy: 0.40150714339681093
Energy: 0.4078444083560828
Energy: 0.5578052270588862
Energy: 0.4488692535058231
Energy: 0.40153036657953906
Energy: 0.4488692535052392
Energy: 0.4280502318072261
Energy: 0.4159037384581257
Energy: 0.4011008149855813
Energy: 0.4159037384581257
Energy: 0.41825502983277474
Energy: 0.44867882482298177
Energy: 0.40167449322671095
Energy: 0.44867882482298177
Energy: 0.41226951126831696
Energy: 0.4496360500504334
Energy: 0.4012476091326552
Energy: 0.4496360500504334
Energy: 0.4930891207880477
Energy: 0.4484692404600163
Energy: 0.40152259323008455
Energy: 0.4484692404600163
Energy: 0.4123577459735013
Energy: 0.4400006542237684
Energy: 0.5518839659489029
Energy: 0.4400006542237684
Energy: 0.3966788807522821
Energy: 0.41818379727779276
Energy: 0.4146145970321884
Energy: 0.41818379727779276
Energy: 0.4124077626860519
Energy: 0.4400026223760455
Energy: 0.4846312043234633
Energy: 0.4400026223760455
Energy: 0.4058817687082632
Energy: 0.4185573201600812
Energy: 0.41455274341230725
Energy: 0.4185573201600812
Energy: 0.4122254561694617
Energy: 0.43861323379756495
Energy: 0.40838574015467916
Energy: 0.4386132337981488
Energy: 0.41041134989029987
Energy: 0.4179999087400769
Energy: 0.40137490066042775
Energy: 0.4179999087400769

minimum gb energy = 0.3966788807522821 eV
minimum distance =  2.55444293119839 Angstroms
sigma value = 37


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

Energy: 0.4664725332878313
Energy: 0.3973309215131005
Energy: 0.5831630889948562
Energy: 0.3973309215131005
Energy: 0.4497023038429191
Energy: 0.386326202978706
Energy: 0.36544401962997897
Energy: 0.386326202978706
Energy: 0.4416153537098626
Energy: 0.4351149047391398
Energy: 0.5239523167953454
Energy: 0.4351149047391398
Energy: 0.43291507483291397
Energy: 0.3865505190323132
Energy: 0.37048102169474484
Energy: 0.3865505190323132
Energy: 0.3696685558116928
Energy: 0.38630162306969135
Energy: 0.43543686995954717
Energy: 0.38630162306969135
Energy: 0.3632720511030122
Energy: 0.3862922887012325
Energy: 0.4398805195048276
Energy: 0.3862922887012325
Energy: 0.36476693439287206
Energy: 0.4079240825733327
Energy: 0.5703109928234329
Energy: 0.4079240825733327
Energy: 0.36268176103258104
Energy: 0.3865845720387786
Energy: 0.38741424591227747
Energy: 0.3865845720387786
Energy: 0.365955092797446
Energy: 0.38680351141150693
Energy: 0.5656585713777499
Energy: 0.38680351141150693
Energy: 0.5229868155441831
Energy: 0.43184050159815135
Energy: 0.4399127153007376
Energy: 0.4318405015971468
Energy: 0.37024352344115513
Energy: 0.4184846231080688
Energy: 0.4341205571163911
Energy: 0.4184846231080688
Energy: 0.5383067445161412
Energy: 0.38639474800809825
Energy: 0.3705381533255408
Energy: 0.38639474800809825
Energy: 0.44032221376889336
Energy: 0.38655306514962917
Energy: 0.36304570569850775
Energy: 0.38655306514962917
Energy: 0.5691909543290964
Energy: 0.4056162283465605
Energy: 0.3624493719200871
Energy: 0.4056162283465605
Energy: 0.46572142632728186
Energy: 0.40551977725192306
Energy: 0.3643386440309112
Energy: 0.40551977725192306
Energy: 0.46386288731501735
Energy: 0.38666512473313314
Energy: 0.36685985242676405
Energy: 0.38666512473313314
Energy: 0.4403910985566269
Energy: 0.43111702527110424
Energy: 0.3549196990479356
Energy: 0.43111702527110424
Energy: 0.4333073202570991
Energy: 0.4185550741265959
Energy: 0.3693518668782592
Energy: 0.4185550741255914
Energy: 0.37039185020674337
Energy: 0.38684020957348825
Energy: 0.369426249541853
Energy: 0.38684020957348825
Energy: 0.36887115056014164
Energy: 0.38673457454580085
Energy: 0.4413486417507614
Energy: 0.38673457454580085

minimum gb energy = 0.3549196990479356 eV
minimum distance =  2.56388718706718 Angstroms
sigma value = 25


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

Energy: 0.4113611203797364
Energy: 0.3349494482595741
Energy: 0.5568427719013069
Energy: 0.3349494482595741
Energy: 0.4840685625318171
Energy: 0.33918387891277363
Energy: 0.32980617743143903
Energy: 0.33918387891198926
Energy: 0.38938992701519765
Energy: 0.33369005188325923
Energy: 0.44887040438659265
Energy: 0.33369005188325923
Energy: 0.3840824085256867
Energy: 0.34433104712098955
Energy: 0.3298834319829601
Energy: 0.34433104712098955
Energy: 0.33504168358890496
Energy: 0.33797020277029377
Energy: 0.3772723602610085
Energy: 0.33797020277029377
Energy: 0.3715066499363604
Energy: 0.33355770048063565
Energy: 0.33566968395119823
Energy: 0.3335577004798513
Energy: 0.33132161522586595
Energy: 0.32776731721795094
Energy: 0.38449011514407827
Energy: 0.32776731721795094
Energy: 0.3147663076772526
Energy: 0.3494384505010286
Energy: 0.38844238849517787
Energy: 0.349438450501813
Energy: 0.329484426961447
Energy: 0.3391789962374363
Energy: 0.5375597632428566
Energy: 0.3391789962374363
Energy: 0.31427360811845284
Energy: 0.3277877010566355
Energy: 0.3501504505498061
Energy: 0.3277877010550667
Energy: 0.3310873134852016
Energy: 0.32778765225218853
Energy: 0.5412321563848401
Energy: 0.3277876522514041
Energy: 0.44948603441035656
Energy: 0.3505013765813221
Energy: 0.38841591195749137
Energy: 0.3505013765813221
Energy: 0.3301806676937982
Energy: 0.3448503783079172
Energy: 0.5380731003479069
Energy: 0.3448503783087016
Energy: 0.46191553536319446
Energy: 0.3276168488035597
Energy: 0.3357767015021021
Energy: 0.3276168488035597
Energy: 0.3374922461107217
Energy: 0.32775887419754557
Energy: 0.3760615987384048
Energy: 0.32775887419754557
Energy: 0.5082057924939195
Energy: 0.3865405608061403
Energy: 0.33118056144389607
Energy: 0.3865405608061403
Energy: 0.3889869226202725
Energy: 0.34967696021735123
Energy: 0.318674519252577
Energy: 0.34967696021735123
Energy: 0.5012750257531229
Energy: 0.33788421086554316
Energy: 0.3299670217323195
Energy: 0.33788421086554316
Energy: 0.4111364102328501
Energy: 0.3335259027246291
Energy: 0.3202723438581942
Energy: 0.33352590272384475
Energy: 0.5849619467218385
Energy: 0.3857641089286548
Energy: 0.33120226699185995
Energy: 0.38576410889809915
Energy: 0.38908107886370946
Energy: 0.3492779851298879
Energy: 0.3173808483010409
Energy: 0.3492779851298879
Energy: 0.3876621694878172
Energy: 0.34482443074423214
Energy: 0.33164318365313067
Energy: 0.34482443074423214
Energy: 0.33727937762703886
Energy: 0.3276224338451946
Energy: 0.46031228580311123
Energy: 0.3276224338451946
Energy: 0.3744651858865937
Energy: 0.3857850002788805
Energy: 0.3374137358288361
Energy: 0.3857850002788805
Energy: 0.333264419717602
Energy: 0.38449928770052244
Energy: 0.5071185480059938
Energy: 0.3844992877013068
Energy: 0.3202126905039906
Energy: 0.34971370662372375
Energy: 0.3905105299970546
Energy: 0.34971370662372375

minimum gb energy = 0.31427360811845284 eV
minimum distance =  2.56795493882146 Angstroms
sigma value = 41


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

Energy: 0.4905870034915443
Energy: 0.30269494543339126
Energy: 0.533201434672083
Energy: 0.30269494543339126
Energy: 0.47960936633314677
Energy: 0.29534338507181385
Energy: 0.29065902014553163
Energy: 0.29534338507181385
Energy: 0.3021756229419938
Energy: 0.28982831384634733
Energy: 0.39505364738889504
Energy: 0.28982831384634733
Energy: 0.38752753528477246
Energy: 0.29571668911782406
Energy: 0.2906700037249237
Energy: 0.2957166891171811
Energy: 0.28921722388469956
Energy: 0.3109266635088864
Energy: 0.2894687803522484
Energy: 0.3109266635718784
Energy: 0.2925557179904192
Energy: 0.2959003951872592
Energy: 0.29059417404986887
Energy: 0.29590039518661615
Energy: 0.2903481794604583
Energy: 0.2954205070085123
Energy: 0.29266467640070076
Energy: 0.2954205070085123
Energy: 0.2900745768890949
Energy: 0.3025015492854989
Energy: 0.2894361866022203
Energy: 0.3025015492854989
Energy: 0.2914576282540528
Energy: 0.30277522683094116
Energy: 0.43323958659871353
Energy: 0.30277522683029806
Energy: 0.2888632046922949
Energy: 0.29006865789951397
Energy: 0.3025240074284988
Energy: 0.29006865789951397
Energy: 0.2904141061405108
Energy: 0.29557165142601466
Energy: 0.5504841935585965
Energy: 0.29557165142601466
Energy: 0.29008176513569756
Energy: 0.30278968816645635
Energy: 0.48502582865048793
Energy: 0.30278968816645635
Energy: 0.2914236790656964
Energy: 0.4185002029915974
Energy: 0.5862529687172984
Energy: 0.4185002029915974
Energy: 0.3985179029859034
Energy: 0.33350805447869597
Energy: 0.302452883137584
Energy: 0.33350805447805293
Energy: 0.2904138126857782
Energy: 0.29554980083947624
Energy: 0.4752198862941242
Energy: 0.29554980083883314
Energy: 0.4035332327013347
Energy: 0.3032707486484085
Energy: 0.2894520004524457
Energy: 0.30327074864905157
Energy: 0.29139289816432123
Energy: 0.417671755451272
Energy: 0.42679524763072013
Energy: 0.417671755451272
Energy: 0.39970625382862013
Energy: 0.3339329325608822
Energy: 0.2906192675395385
Energy: 0.3339329325608822
Energy: 0.2903749529127752
Energy: 0.30234621566221476
Energy: 0.28968214359478656
Energy: 0.30234621566221476
Energy: 0.4099016014442304
Energy: 0.3032455382786071
Energy: 0.29278617843003985
Energy: 0.3032455382792502
Energy: 0.3032578622477858
Energy: 0.41784962009690957
Energy: 0.2871785260154919
Energy: 0.41784962009690957
Energy: 0.5487979572443887
Energy: 0.4252322706188065
Energy: 0.29071771075293706
Energy: 0.4252322706188065
Energy: 0.48395098994734626
Energy: 0.3019987265296955
Energy: 0.28789431588917636
Energy: 0.3019987265296955
Energy: 0.4833914183030341
Energy: 0.41806834933764553
Energy: 0.2927973801563595
Energy: 0.41806834933764553
Energy: 0.303238031768214
Energy: 0.33249904584709167
Energy: 0.28726995795992066
Energy: 0.33249904584709167
Energy: 0.4731287895013246
Energy: 0.5268658868609797
Energy: 0.290696012860774
Energy: 0.5268658868609797
Energy: 0.29053065400853223
Energy: 0.3026986557406823
Energy: 0.402470745671548
Energy: 0.30269865574003924
Energy: 0.2977016692025668
Energy: 0.417573005838006
Energy: 0.2927791384959075
Energy: 0.417573005838006
Energy: 0.29149648555683383
Energy: 0.33248396843497124
Energy: 0.4024951211846519
Energy: 0.33248396843497124
Energy: 0.2871396833260084
Energy: 0.43362976866482056
Energy: 0.29187820079603205
Energy: 0.43362976866482056
Energy: 0.29465744897059726
Energy: 0.3023825344023126
Energy: 0.4078326770222967
Energy: 0.3023825344023126
Energy: 0.28940668787765883
Energy: 0.41767777208951073
Energy: 0.3044980269836619
Energy: 0.41767777208951073

minimum gb energy = 0.2871396833260084 eV
minimum distance =  2.5442616639019 Angstroms
sigma value = 15


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

Energy: 0.474190419605227
Energy: 0.27811150975689647
Energy: 0.5227947345638801
Energy: 0.2781115097574413
Energy: 0.5287274714869673
Energy: 0.2716322732162943
Energy: 0.2713433132359736
Energy: 0.2716322732157495
Energy: 0.32402368643785917
Energy: 0.2749468454223273
Energy: 0.26842744553989367
Energy: 0.2749468454201482
Energy: 0.46331455468267063
Energy: 0.27616456877336193
Energy: 0.27126165431827376
Energy: 0.27616456877499623
Energy: 0.31291882898574613
Energy: 0.2742558785578049
Energy: 0.3072011335008926
Energy: 0.27425587835633763
Energy: 0.3839330610966462
Energy: 0.2711569600807126
Energy: 0.27134429849479397
Energy: 0.2711569600812574
Energy: 0.27394172671370914
Energy: 0.27665808267997755
Energy: 0.3086641926347035
Energy: 0.27665808267997755
Energy: 0.30924034856043564
Energy: 0.2751891173350499
Energy: 0.2743042975893665
Energy: 0.27518911733559476
Energy: 0.27175871489764714
Energy: 0.27677131705254443
Energy: 0.4211280697800639
Energy: 0.27677131705254443
Energy: 0.3072250971182623
Energy: 0.2714417711968842
Energy: 0.31241333723115017
Energy: 0.2714417711968842
Energy: 0.2711599372062191
Energy: 0.27131557400877243
Energy: 0.4632562462577825
Energy: 0.2713155740082277
Energy: 0.2628651159618849
Energy: 0.27524317616927285
Energy: 0.32380946032598257
Energy: 0.27524317616927285
Energy: 0.2717826544281357
Energy: 0.2793970656095306
Energy: 0.6197510809075675
Energy: 0.2793970656100753
Energy: 0.2674681264312217
Energy: 0.2707933706616883
Energy: 0.4371877694785892
Energy: 0.2707933706611435
Energy: 0.27103356883573454
Energy: 0.27561611803007713
Energy: 0.5561258399105137
Energy: 0.2756161180295324
Energy: 0.35803274373708827
Energy: 0.2752294991487988
Energy: 0.32385958958181654
Energy: 0.2752294991487988
Energy: 0.2718332709780871
Energy: 0.28015565137312226
Energy: 0.5549469769637281
Energy: 0.28015565137639087
Energy: 0.36474800396637563
Energy: 0.27210265035242903
Energy: 0.31264000535768943
Energy: 0.27210265035242903
Energy: 0.2715554015857596
Energy: 0.2707973464099134
Energy: 0.45906889602175444
Energy: 0.2707973464099134
Energy: 0.4021961286844436
Energy: 0.27106933929353466
Energy: 0.27430500713043693
Energy: 0.27106933929298993
Energy: 0.2750046875622541
Energy: 0.2854048514833322
Energy: 0.4247528144084581
Energy: 0.2854048514833322
Energy: 0.4063040568195664
Energy: 0.2760312770210754
Energy: 0.27259253663724275
Energy: 0.27603127702270974
Energy: 0.31273022950902035
Energy: 0.2711084150548326
Energy: 0.3064200769731753
Energy: 0.27110841492086774
Energy: 0.5450423111256263
Energy: 0.27144475081899044
Energy: 0.27124488755707704
Energy: 0.2714447508195353
Energy: 0.32411484044509853
Energy: 0.28217182177300204
Energy: 0.26224661660017834
Energy: 0.28217182177136774
Energy: 0.5296011633691963
Energy: 0.2766155127845611
Energy: 0.2727500276291408
Energy: 0.2766155127845611
Energy: 0.4733922783090029
Energy: 0.27374543158072134
Energy: 0.2659980323279849
Energy: 0.2737454315752736
Energy: 0.5872846342135846
Energy: 0.27533904933677866
Energy: 0.2714492387753294
Energy: 0.27533904933677866
Energy: 0.3242077185149075
Energy: 0.3882065764933864
Energy: 0.2626486634823734
Energy: 0.38820657649393114
Energy: 0.46414826977415685
Energy: 0.279987809750118
Energy: 0.27261339625477954
Energy: 0.27998780977027465
Energy: 0.31273895987575573
Energy: 0.37853155801991406
Energy: 0.3650555132835879
Energy: 0.37853155801991406
Energy: 0.4575744859088481
Energy: 0.2743847801223443
Energy: 0.272039671234967
Energy: 0.2743847801223443
Energy: 0.2750148984844083
Energy: 0.3895881769839359
Energy: 0.39975912717778844
Energy: 0.3895881769839359
Energy: 0.31037953869105644
Energy: 0.2854247311125381
Energy: 0.27611347396476454
Energy: 0.28542473111199335
Energy: 0.2662195023954035
Energy: 0.37886802220545707
Energy: 0.4047682144334203
Energy: 0.37886802220545707
Energy: 0.30551932352519134
Energy: 0.274628046706689
Energy: 0.31331575126113204
Energy: 0.2746280467050547
Energy: 0.2718882508904747
Energy: 0.39015476650491565
Energy: 0.5435609686719344
Energy: 0.39015476650491565

minimum gb energy = 0.26224661660017834 eV
minimum distance =  2.55059593941259 Angstroms
sigma value = 85


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

Energy: 0.4387590021913903
Energy: 0.2669880882542699
Energy: 0.4904774139482807
Energy: 0.2669880882523799
Energy: 0.5298557897632554
Energy: 0.2617633276239691
Energy: 0.24586436132787473
Energy: 0.2617633276239691
Energy: 0.42860136115958813
Energy: 0.2648834277689633
Energy: 0.2388162814333382
Energy: 0.2648834277689633
Energy: 0.4722439592837992
Energy: 0.26041957542879535
Energy: 0.24586164191457163
Energy: 0.26041957542879535
Energy: 0.29674000038996623
Energy: 0.24930749948760855
Energy: 0.275213639132451
Energy: 0.24930749948099376
Energy: 0.4147650527251218
Energy: 0.2646484469716847
Energy: 0.24571542478993036
Energy: 0.2646484469716847
Energy: 0.2820290044790034
Energy: 0.26874873464238597
Energy: 0.2787498648493914
Energy: 0.26874873464238597
Energy: 0.40089114788967883
Energy: 0.25980270500679054
Energy: 0.2496793495071486
Energy: 0.25980270500679054
Energy: 0.2492546469222759
Energy: 0.2524787316244448
Energy: 0.3754003259324389
Energy: 0.2524787316244448
Energy: 0.33449743036682184
Energy: 0.26515690875636805
Energy: 0.2817349796291924
Energy: 0.26515690875636805
Energy: 0.24632610982932815
Energy: 0.2600940746521792
Energy: 0.41477936855249325
Energy: 0.2600940746512342
Energy: 0.2624933605631567
Energy: 0.2622247872512091
Energy: 0.2967486003497999
Energy: 0.2622247872512091
Energy: 0.24568145281397835
Energy: 0.25199583928467156
Energy: 0.4724269840979121
Energy: 0.25199583928467156
Energy: 0.2291222363340372
Energy: 0.26498884393854283
Energy: 0.42314400680264885
Energy: 0.26498884393854283
Energy: 0.24637488143776592
Energy: 0.2607491998940684
Energy: 0.5805739984104611
Energy: 0.260749199894541
Energy: 0.2265194593724888
Energy: 0.2614388139214057
Energy: 0.404734604959592
Energy: 0.26143881391998824
Energy: 0.24565334557610055
Energy: 0.25235673533576247
Energy: 0.5765943290010649
Energy: 0.25235673533576247
Energy: 0.3085759193192702
Energy: 0.2650975083908879
Energy: 0.4230737652367794
Energy: 0.2650975083913605
Energy: 0.24644974010297246
Energy: 0.2610906081333231
Energy: 0.5185939073967528
Energy: 0.2610906081333231
Energy: 0.3147133438181314
Energy: 0.26171318785352116
Energy: 0.2968029165930516
Energy: 0.26171318785352116
Energy: 0.2458622945716734
Energy: 0.25610912490273785
Energy: 0.48638731779515
Energy: 0.25610912490273785
Energy: 0.34808106693900526
Energy: 0.26016623508274217
Energy: 0.28174079291874443
Energy: 0.26016623508274217
Energy: 0.2503699785397159
Energy: 0.2604664741129578
Energy: 0.4002968614689733
Energy: 0.2604664741129578
Energy: 0.3555988609187964
Energy: 0.26933637503474445
Energy: 0.2495828206168666
Energy: 0.26933637503474445
Energy: 0.2819509129582794
Energy: 0.2603787836164587
Energy: 0.33436298599611
Energy: 0.2603787836159863
Energy: 0.4816475394046705
Energy: 0.2601632583142914
Energy: 0.2473765095728142
Energy: 0.2601632583142914
Energy: 0.29684040354516433
Energy: 0.2597639250970529
Energy: 0.26262133680341804
Energy: 0.259763925092328
Energy: 0.48842618988461217
Energy: 0.2703551956388911
Energy: 0.24586579847821433
Energy: 0.2703551956388911
Energy: 0.4225694683367296
Energy: 0.2653052163722844
Energy: 0.227622122227105
Energy: 0.2653052163722844
Energy: 0.5793980767362922
Energy: 0.26100666808671835
Energy: 0.24739576003318206
Energy: 0.26100666808671835
Energy: 0.43825768826025513
Energy: 0.2642275362877163
Energy: 0.22637478226784885
Energy: 0.26422753628866125
Energy: 0.5322460040687951
Energy: 0.26829359410406406
Energy: 0.24581523069988978
Energy: 0.2682935941007567
Energy: 0.42274268590525194
Energy: 0.26527748939025625
Energy: 0.22516398993294534
Energy: 0.26527748939025625
Energy: 0.5217164743845485
Energy: 0.26082679709357254
Energy: 0.24736911529635303
Energy: 0.26082679709357254
Energy: 0.29682999127030013
Energy: 0.25998994892824523
Energy: 0.3147285940808693
Energy: 0.2599899489249379
Energy: 0.409503202846274
Energy: 0.27299742597574767
Energy: 0.24645918810091377
Energy: 0.2729974259785826
Energy: 0.2819144422506561
Energy: 0.26024605942868717
Energy: 0.3482329302679983
Energy: 0.26024605942868717
Energy: 0.4004149609534567
Energy: 0.2603004747899108
Energy: 0.2510317292056177
Energy: 0.2603004747899108
Energy: 0.250354486404896
Energy: 0.26035098577779453
Energy: 0.35698852895188277
Energy: 0.26035098577779453
Energy: 0.2701917867391436
Energy: 0.2777147147824202
Energy: 0.2825819914168648
Energy: 0.2777147147824202
Energy: 0.24773651217387332
Energy: 0.26024764793467536
Energy: 0.48536658696708596
Energy: 0.26024764793467536
Energy: 0.26261104394484125
Energy: 0.2596983522854749
Energy: 0.2976619256303643
Energy: 0.25969835226517957
Energy: 0.24658831567718956
Energy: 0.25992706784955294
Energy: 0.49211525125587924
Energy: 0.25992706784955294

minimum gb energy = 0.22516398993294534 eV
minimum distance =  2.56685206421853 Angstroms
sigma value = 113


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

Energy: 0.011756732610330339
Energy: 0.011973452162888561
Energy: 0.3820404825783711
Energy: 0.01197345216252534
Energy: 0.32379810805733417
Energy: 0.11940797055821688
Energy: 0.11968802759516596
Energy: 0.11940797055821688
Energy: 0.011756732610330339
Energy: 0.011973452162888561
Energy: 0.3820404825783711
Energy: 0.011973452162888561
Energy: 0.32379810805733417
Energy: 0.11940797055821688
Energy: 0.11968802759516596
Energy: 0.11940797055821688
Energy: 0.011756732610330339
Energy: 0.011973452162888561
Energy: 0.3820404825783711
Energy: 0.01197345216252534
Energy: 0.32379810805733417
Energy: 0.11940797055821688
Energy: 0.11968802759516596
Energy: 0.11940797055821688

minimum gb energy = 0.011756732610330339 eV
minimum distance =  2.81287437804817 Angstroms
sigma value = 1