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
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.5887970052171996e-19, 3.1784460718282196e-19, 3.5843415002857797e-19, 3.88870699544676e-19, 4.11757792761366e-19, 4.30101113044032e-19, 4.4510069069154e-19, 4.575159574284059e-19, 4.67869222837314e-19, 4.765498158403259e-19, 4.8390540876702e-19, 4.9049836561593e-19, 4.973861229654959e-19, 5.0462956352781e-19, 5.1047270171200795e-19, 5.146752110229899e-19, 5.178475207583099e-19, 5.20340507600814e-19, 5.22306378330732e-19, 5.23825241779764e-19, 5.24948367600198e-19, 5.25712605854616e-19, 5.26153204428966e-19, 5.2629259379612395e-19, 5.261451935457959e-19, 5.25691777558374e-19, 5.24885882711472e-19, 5.23730713358358e-19, 5.22295163094294e-19, 5.20753869172386e-19, 5.19082798943124e-19, 5.1667793181549e-19, 5.130794430955259e-19, 5.08293741489768e-19, 5.023384509411899e-19, 4.951190430283859e-19, 4.86475300087956e-19, 4.76232584866794e-19, 4.645959759740519e-19, 4.52978593200918e-19, 4.3992566016372e-19, 4.2190437738448797e-19, 3.9957644381306395e-19, 3.7310528146611595e-19, 3.43056458695446e-19, 3.0748172871410996e-19, 2.6524514828860197e-19, 2.28476796714936e-19, 1.8313359579610198e-19, 1.3462048840689898e-19, 1.046524153385826e-19, 1.2545988328434058e-19, 2.9161216915434e-19, 9.44991015735978e-19]
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: 0.010375782880930677
Energy: 0.05489987450731062
Energy: 0.3477650828589052
Energy: 0.010933957585856354
Energy: 0.05489987450731062
Energy: 0.4528146101894977
Energy: 0.010933957585856354
Energy: 0.45281461019200897
Energy: 0.3477650828589052
Energy: 0.010933957585856354
Energy: 0.010375782880930677
Energy: 0.05489987450731062
Energy: 0.010933957585856354
Energy: 0.45281461019400665
Energy: 0.05489987450731062
Energy: 0.4528146101930078

minimum gb energy = 0.010375782880930677 eV
minimum distance =  2.720523203256 Angstroms
sigma value = 1


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

Energy: 0.6556120071656559
Energy: 0.4141111222308892
Energy: 0.41451889620806204
Energy: 0.3948622914853957
Energy: 0.4139498507221626
Energy: 0.4337002775792312
Energy: 0.41366213455892215
Energy: 0.4337002775792312
Energy: 0.4160925482698608
Energy: 0.4141606896973552
Energy: 0.413123018471039
Energy: 0.4141606896973552
Energy: 0.41338332140970385
Energy: 0.4150913062106013
Energy: 0.41363017772590466
Energy: 0.4150913062106013
Energy: 0.44049500551303594
Energy: 0.4136462001514628
Energy: 0.41380602742779626
Energy: 0.4136462001514628
Energy: 0.4124794261937869
Energy: 0.4669549664980322
Energy: 0.41296173279755344
Energy: 0.4669549664980322
Energy: 0.44127395244988155
Energy: 0.46228384962333346
Energy: 0.4410961115331652
Energy: 0.46228384962333346
Energy: 0.41544930066521996
Energy: 0.4601043056358222
Energy: 0.422550127277186
Energy: 0.4601043056358222
Energy: 0.44254213625788946
Energy: 0.4850270026436541
Energy: 0.4423498838129393
Energy: 0.4850270026436541
Energy: 0.4406106018340997
Energy: 0.48503538935535234
Energy: 0.44230050762568257
Energy: 0.48503538935535234
Energy: 0.439542669992179
Energy: 0.4853028120078648
Energy: 0.4177202563966537
Energy: 0.4853028120078648
Energy: 0.4184531697193736
Energy: 0.4846116076233192
Energy: 0.42082284279431476
Energy: 0.4846116076233192
Energy: 0.44199896100474845
Energy: 0.4613476612287822
Energy: 0.43969377875252735
Energy: 0.4613476612287822
Energy: 0.4126789875260043
Energy: 0.4615461658716568
Energy: 0.43531887891414606
Energy: 0.46154616587227976
Energy: 0.43939996319472413
Energy: 0.41423632529144855
Energy: 0.4132958715561028
Energy: 0.41423632529144855
Energy: 0.3930737617292268
Energy: 0.4145015501619764
Energy: 0.41317406229637865
Energy: 0.4145015501619764
Energy: 0.4140597166567443
Energy: 0.41380528285810275
Energy: 0.39333229873364994
Energy: 0.41380528285810275
Energy: 0.41366093182867225
Energy: 0.41302233003903227
Energy: 0.4335644041061103
Energy: 0.41302233003840927
Energy: 0.4181247947480776
Energy: 0.4144663989671156
Energy: 0.416348752749995
Energy: 0.4144663989671156
Energy: 0.4130556787719813
Energy: 0.41291097564008294
Energy: 0.4140606922075051
Energy: 0.41291097564008294
Energy: 0.4143960157881867
Energy: 0.4136863256105347
Energy: 0.4405494512196211
Energy: 0.4136863256105347
Energy: 0.4130407391327759
Energy: 0.4139813065008513
Energy: 0.41321356238101076
Energy: 0.4139813065008513
Energy: 0.4409801076434206
Energy: 0.46192249718289713
Energy: 0.4394325644390406
Energy: 0.46192249718289713
Energy: 0.41860934178263126
Energy: 0.4599941858909104
Energy: 0.4139998279121723
Energy: 0.4599941858909104
Energy: 0.4429178129975409
Energy: 0.4849739535344703
Energy: 0.44213348080691817
Energy: 0.4849739535344703
Energy: 0.4430129093812821
Energy: 0.4834130724382963
Energy: 0.4413714832308122
Energy: 0.4834130724382963
Energy: 0.41811329160347727
Energy: 0.4844268503997157
Energy: 0.4393582331619549
Energy: 0.4844268503997157
Energy: 0.4192587481666315
Energy: 0.4841546114852884
Energy: 0.44085779780554557
Energy: 0.4841546114852884
Energy: 0.43970162600503987
Energy: 0.4619590545609265
Energy: 0.44331477134368247
Energy: 0.4619590545609265
Energy: 0.4392868291043398
Energy: 0.4625987579487437
Energy: 0.4127317146034753
Energy: 0.4625987579487437
Energy: 0.41364328408068496
Energy: 0.41466374623383057
Energy: 0.4392473263067461
Energy: 0.41466374623383057
Energy: 0.41307343068320035
Energy: 0.41421349214598274
Energy: 0.3931528553346976
Energy: 0.41421349214598274
Energy: 0.39295335984903396
Energy: 0.4139323330105714
Energy: 0.41390632125379845
Energy: 0.4139323330099767

minimum gb energy = 0.39295335984903396 eV
minimum distance =  2.51309651642704 Angstroms
sigma value = 1


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

Energy: 0.7336140720545845
Energy: 0.43964144439473124
Energy: 0.4404252442052858
Energy: 0.4174889112261879
Energy: 0.4389188328132746
Energy: 0.4596141318193322
Energy: 0.43833612851786097
Energy: 0.4596141318193322
Energy: 0.4407178429505923
Energy: 0.4395654096340861
Energy: 0.6805354090717343
Energy: 0.4395654096340861
Energy: 0.43868398804722075
Energy: 0.43942325553042133
Energy: 0.43836815122452133
Energy: 0.43942325553042133
Energy: 0.43847650484081135
Energy: 0.439357742565355
Energy: 0.43913243505661304
Energy: 0.439357742565355
Energy: 0.43791902800184423
Energy: 0.49458189308974143
Energy: 0.4384500198139968
Energy: 0.49458189308974143
Energy: 0.4384452960200618
Energy: 0.5142147381660259
Energy: 0.4432585047364938
Energy: 0.5142147381660259
Energy: 0.43989620827397147
Energy: 0.49205387566524195
Energy: 0.44592244940761555
Energy: 0.49205387566524195
Energy: 0.44348043619393746
Energy: 0.5160415169940112
Energy: 0.4179380904729309
Energy: 0.5160415169940112
Energy: 0.4448151228308635
Energy: 0.5155722049754256
Energy: 0.47304145918695806
Energy: 0.5155722049754256
Energy: 0.4670613865668767
Energy: 0.4946231114411844
Energy: 0.43860867169341794
Energy: 0.4946231114411844
Energy: 0.4635926400683173
Energy: 0.5149810733056238
Energy: 0.43800930869610305
Energy: 0.5149810733056238
Energy: 0.43890444590689215
Energy: 0.43964207959161633
Energy: 0.4668632348775283
Energy: 0.43964207959161633
Energy: 0.43907203324438376
Energy: 0.43959841657658766
Energy: 0.41524338581166015
Energy: 0.43959841657658766
Energy: 0.4152837319748125
Energy: 0.43907055673690704
Energy: 0.4395923689996035
Energy: 0.43907055673690704
Energy: 0.4607285414477604
Energy: 0.43823652844231004
Energy: 0.4385495322236957
Energy: 0.43823652844231004
Energy: 0.4401961728577108
Energy: 0.43971024023917304
Energy: 0.4435214756016483
Energy: 0.43971024023917304
Energy: 0.43871837947344106
Energy: 0.43803093106111834
Energy: 0.43849009177040826
Energy: 0.43803093106111834
Energy: 0.44326519036091916
Energy: 0.4396810182525107
Energy: 0.43999489387165475
Energy: 0.4396810182525107
Energy: 0.43814564066367395
Energy: 0.43927136688080654
Energy: 0.4386221279598704
Energy: 0.43927136688151686
Energy: 0.4381819020855014
Energy: 0.5141923709991294
Energy: 0.4440804464452569
Energy: 0.5141923709991294
Energy: 0.4387802607608701
Energy: 0.4931709460383197
Energy: 0.4436132181709812
Energy: 0.4931709460383197
Energy: 0.44337377371882625
Energy: 0.5153142513445973
Energy: 0.4166420790307722
Energy: 0.5153142513445973
Energy: 0.44390232260329765
Energy: 0.5152651787212473
Energy: 0.4430249240330956
Energy: 0.5152651787219574
Energy: 0.4669151756165594
Energy: 0.4949253093365791
Energy: 0.43858573995733774
Energy: 0.4949253093365791
Energy: 0.46684943835369863
Energy: 0.4933470021173574
Energy: 0.4381292105116385
Energy: 0.4933470021173574
Energy: 0.4392284036696826
Energy: 0.440005645789732
Energy: 0.467142977872696
Energy: 0.440005645789732
Energy: 0.43869844747479836
Energy: 0.4396665081470563
Energy: 0.4152610299542298
Energy: 0.4396665081470563
Energy: 0.4149948280629589
Energy: 0.4392179188315362
Energy: 0.4393078937595657
Energy: 0.4392179188315362

minimum gb energy = 0.4149948280629589 eV
minimum distance =  2.51156267440753 Angstroms
sigma value = 25


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

Energy: 0.7056095541526332
Energy: 0.4687660291923831
Energy: 0.4693479218620642
Energy: 0.44260191385711256
Energy: 0.4695345338178051
Energy: 0.48872486709663476
Energy: 0.4688807496659376
Energy: 0.48872486709663476
Energy: 0.4690037688879497
Energy: 0.46891362784300195
Energy: 0.4692532327301508
Energy: 0.46891362784300195
Energy: 0.46850883374245494
Energy: 0.47073415104698174
Energy: 0.4689154664030789
Energy: 0.47073415104698174
Energy: 0.47119569182752763
Energy: 0.49960245554391625
Energy: 0.46926788331702596
Energy: 0.49960245554391625
Energy: 0.46839107263979934
Energy: 0.4689415662444295
Energy: 0.46910701115621745
Energy: 0.4689415662444295
Energy: 0.46865712257816317
Energy: 0.5519924977385735
Energy: 0.49664177544971877
Energy: 0.5519924977385735
Energy: 0.46874818498631854
Energy: 0.531698984600455
Energy: 0.44713742426318376
Energy: 0.531698984600455
Energy: 0.4685554385083247
Energy: 0.5353639608511135
Energy: 0.4398062618571651
Energy: 0.5353639608511135
Energy: 0.46814628486566245
Energy: 0.5341930601656057
Energy: 0.46930578969813147
Energy: 0.5341930601656057
Energy: 0.43998424317438206
Energy: 0.47073844189040626
Energy: 0.46999332110922204
Energy: 0.47073844189040626
Energy: 0.44011362338161475
Energy: 0.470936312021177
Energy: 0.4695166101976698
Energy: 0.470936312021177
Energy: 0.4685647054265961
Energy: 0.4685565305688261
Energy: 0.44016702343666647
Energy: 0.4685565305688261
Energy: 0.4747855144136665
Energy: 0.46860116515375644
Energy: 0.494178132058991
Energy: 0.46860116515375644
Energy: 0.46905752839129017
Energy: 0.46881913330978253
Energy: 0.4686471051112091
Energy: 0.46881913330978253
Energy: 0.46929348689829975
Energy: 0.4684785654636186
Energy: 0.46882495069330093
Energy: 0.4684785654636186
Energy: 0.4689184840093863
Energy: 0.4687655939295719
Energy: 0.44682953300701755
Energy: 0.4687655939295719
Energy: 0.46915285711256416
Energy: 0.4712668206886055
Energy: 0.4683159489922262
Energy: 0.4712668206886055
Energy: 0.46839656867802915
Energy: 0.5518602629681734
Energy: 0.46808150715898067
Energy: 0.5518602629681734
Energy: 0.44733224679485256
Energy: 0.5321735082860535
Energy: 0.46813207155750086
Energy: 0.5321735082860535
Energy: 0.44002412902641475
Energy: 0.5352545322961911
Energy: 0.4683933781746938
Energy: 0.5352545322961911
Energy: 0.44018862422792415
Energy: 0.5343949626174117
Energy: 0.468123690794321
Energy: 0.5343949626165859
Energy: 0.47099660554394585
Energy: 0.4709611060055416
Energy: 0.43980970736260927
Energy: 0.47096110600636726
Energy: 0.469309174445483
Energy: 0.47091811639509673
Energy: 0.44013881922241893
Energy: 0.47091811639509673
Energy: 0.4399453360740039
Energy: 0.46871786366710383
Energy: 0.4691084784328761
Energy: 0.4687178636662781

minimum gb energy = 0.4398062618571651 eV
minimum distance =  2.52264661234161 Angstroms
sigma value = 9


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

Energy: 0.6628394560815211
Energy: 0.50231728930899
Energy: 0.5024923409694747
Energy: 0.4717152911279726
Energy: 0.5020761830258117
Energy: 0.5214217814882347
Energy: 0.5120078763012365
Energy: 0.5214217814882347
Energy: 0.5020364115614482
Energy: 0.5022491198169717
Energy: 0.5024362876438143
Energy: 0.5022491198169717
Energy: 0.5020863754413009
Energy: 0.5220511923343498
Energy: 0.5068620477340974
Energy: 0.5220511923343498
Energy: 0.5071824175983904
Energy: 0.508192779902088
Energy: 0.5062652902343672
Energy: 0.508192779902088
Energy: 0.5419765759330182
Energy: 0.5072764513251712
Energy: 0.5077024469479864
Energy: 0.5072764513251712
Energy: 0.5438935000868251
Energy: 0.5865964145652951
Energy: 0.5114448501999369
Energy: 0.5865964145652951
Energy: 0.5129123340311953
Energy: 0.5806107953572878
Energy: 0.5416579157201313
Energy: 0.5806107953572878
Energy: 0.5082403895146275
Energy: 0.5081261381768508
Energy: 0.4672550436651905
Energy: 0.5081261381768508
Energy: 0.5150739808910253
Energy: 0.5080556062751421
Energy: 0.4673050328090938
Energy: 0.5080556062741571
Energy: 0.46768399191760585
Energy: 0.5019832480947084
Energy: 0.5023567747944312
Energy: 0.5019832480956934
Energy: 0.545572716519723
Energy: 0.5088231037992396
Energy: 0.5022606738817504
Energy: 0.5088231037992396
Energy: 0.5026379139076883
Energy: 0.5017229884540496
Energy: 0.5022305038917398
Energy: 0.5017229884540496
Energy: 0.5020062996853868
Energy: 0.5047754940200547
Energy: 0.5034293780547064
Energy: 0.5047754940200547
Energy: 0.5108739541904501
Energy: 0.5052803817851839
Energy: 0.5068420504787885
Energy: 0.5052803817851839
Energy: 0.5420156554264152
Energy: 0.5388296140018473
Energy: 0.5065760923832102
Energy: 0.5388296140018473
Energy: 0.5390950653555384
Energy: 0.5910054685985786
Energy: 0.5120632206054007
Energy: 0.5910054685985786
Energy: 0.5386482622803735
Energy: 0.5872320597998014
Energy: 0.5417024226037542
Energy: 0.5872320597998014
Energy: 0.5081044965138308
Energy: 0.5081791041833271
Energy: 0.4672916877115846
Energy: 0.5081791041833271
Energy: 0.5069301591592005
Energy: 0.5083994999745216
Energy: 0.4672285113045203
Energy: 0.5083994999745216
Energy: 0.46739755719675113
Energy: 0.5029721360848075
Energy: 0.5031334566592723
Energy: 0.5029721360848075

minimum gb energy = 0.4672285113045203 eV
minimum distance =  2.5278707212898 Angstroms
sigma value = 25


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

Energy: 0.5998677293838034
Energy: 0.5447925180455705
Energy: 0.5456759631150406
Energy: 0.5076524235273574
Energy: 0.5575919367846737
Energy: 0.5415974016323947
Energy: 0.55662568895728
Energy: 0.5415974016323947
Energy: 0.5447836667138031
Energy: 0.5447452527267334
Energy: 0.5484515272187701
Energy: 0.5447452527267334
Energy: 0.5450107602016769
Energy: 0.5418976202965589
Energy: 0.5171938372015117
Energy: 0.5418976202965589
Energy: 0.5512393410285017
Energy: 0.5168015697615642
Energy: 0.5174032954668418
Energy: 0.5168015697615642
Energy: 0.5036477181768979
Energy: 0.5532667846652272
Energy: 0.5156440608966454
Energy: 0.5532667846652272
Energy: 0.5010720508917185
Energy: 0.5796370515911846
Energy: 0.5167035092681699
Energy: 0.5796370515911846
Energy: 0.5015003489761194
Energy: 0.5422713824288329
Energy: 0.5174965670743866
Energy: 0.5422713824288329
Energy: 0.5451791537634797
Energy: 0.5446085051605711
Energy: 0.5887506754800877
Energy: 0.5446085051605711
Energy: 0.5559952637085771
Energy: 0.545486584029922
Energy: 0.5818168175593085
Energy: 0.545486584029922
Energy: 0.5467427300428758
Energy: 0.5446781906232718
Energy: 0.5457835169631774
Energy: 0.5446781906232718
Energy: 0.5456573441814913
Energy: 0.5459103321115232
Energy: 0.5442760070157319
Energy: 0.5459103321115232
Energy: 0.5158850231927196
Energy: 0.5049100465151154
Energy: 0.549954662899957
Energy: 0.5049100465151154
Energy: 0.5170429261397765
Energy: 0.5165500267539871
Energy: 0.5043186508786439
Energy: 0.5165500267539871
Energy: 0.5524026432785571
Energy: 0.552696161543279
Energy: 0.5012291539249264
Energy: 0.552696161543279
Energy: 0.5160720151156251
Energy: 0.5166842206813398
Energy: 0.5014583190616804
Energy: 0.5166842206813398
Energy: 0.584312033095592
Energy: 0.5453045437934962
Energy: 0.5461426540012789
Energy: 0.5453045437934962

minimum gb energy = 0.5010720508917185 eV
minimum distance =  2.53772011721929 Angstroms
sigma value = 17


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

Energy: 0.7982770551624291
Energy: 0.5929982786349213
Energy: 0.594179001396099
Energy: 0.5666726659846217
Energy: 0.5424106378743042
Energy: 0.6088691754962062
Energy: 0.5690851300751286
Energy: 0.6088691754962062
Energy: 0.5395568567114954
Energy: 0.5395559929651453
Energy: 0.5938837851160935
Energy: 0.5395559929651453
Energy: 0.5398344248958934
Energy: 0.548640631781659
Energy: 0.5385378483447919
Energy: 0.548640631781659
Energy: 0.5398558591364231
Energy: 0.599558660235066
Energy: 0.516897384998914
Energy: 0.599558660235066
Energy: 0.5402306442254334
Energy: 0.5798049121277289
Energy: 0.5394166394977163
Energy: 0.5798049121277289
Energy: 0.5599845043779186
Energy: 0.5388866869800747
Energy: 0.5405038756837571
Energy: 0.5388866869800747
Energy: 0.6201560369778972
Energy: 0.538524482924458
Energy: 0.5267451359020808
Energy: 0.538524482924458
Energy: 0.5939382798249152
Energy: 0.5903383189687609
Energy: 0.5931937739574311
Energy: 0.5903383189687609
Energy: 0.5936130038100313
Energy: 0.590408754741874
Energy: 0.5693196918138014
Energy: 0.590408754741874
Energy: 0.5415282056692607
Energy: 0.5278788980511436
Energy: 0.5258683331823633
Energy: 0.5278788980511436
Energy: 0.5922530764858029
Energy: 0.5458938998291769
Energy: 0.5289890743948444
Energy: 0.5458938998291769
Energy: 0.5600960100301821
Energy: 0.5457940649491826
Energy: 0.5458387998435311
Energy: 0.5457940649491826
Energy: 0.5598623605993872
Energy: 0.5458054796185741
Energy: 0.526595810505683
Energy: 0.5458054796185741
Energy: 0.5911609700716092
Energy: 0.5908206399762738
Energy: 0.6208645948946481
Energy: 0.5908206399762738
Energy: 0.5985144029958572
Energy: 0.5909220839321614
Energy: 0.6206186181715807
Energy: 0.5909220839321614
Energy: 0.5926840635901285
Energy: 0.5389919800105445
Energy: 0.5405065693616568
Energy: 0.5389919800105445
Energy: 0.5916795151731512
Energy: 0.5387974494295187
Energy: 0.5401291362425643
Energy: 0.5387974494295187
Energy: 0.5425444579708246
Energy: 0.5998633418163987
Energy: 0.5401731998486333
Energy: 0.5998633418163987
Energy: 0.5730123142436452
Energy: 0.600066037568737
Energy: 0.5401714530362123
Energy: 0.600066037568737
Energy: 0.5414890640736829
Energy: 0.5396582927522239
Energy: 0.6189711357364738
Energy: 0.539658292751534
Energy: 0.5392131293720691
Energy: 0.5403698628795464
Energy: 0.5624144120534568
Energy: 0.5403698628795464
Energy: 0.5699951868710889
Energy: 0.5904573581766908
Energy: 0.5694568512867567
Energy: 0.5904573581766908
Energy: 0.5928207447676752
Energy: 0.5903411001191691
Energy: 0.5914551647264953
Energy: 0.5903411001191691
Energy: 0.5291535910262257
Energy: 0.5470582007982774
Energy: 0.5914447897670497
Energy: 0.5470582007982774
Energy: 0.5289838298337822
Energy: 0.5457618991740792
Energy: 0.5392500401530679
Energy: 0.5457618991740792
Energy: 0.5257586723154107
Energy: 0.5272580680586506
Energy: 0.5616020466408822
Energy: 0.5272580680586506
Energy: 0.5302222208940338
Energy: 0.5425793010535037
Energy: 0.5610710479118403
Energy: 0.5425793010535037
Energy: 0.5423227338714253
Energy: 0.5450252040333244
Energy: 0.5604479761980969
Energy: 0.5450252040333244
Energy: 0.6185170600860828
Energy: 0.5904189641292262
Energy: 0.5920828421143945
Energy: 0.5904189641292262

minimum gb energy = 0.516897384998914 eV
minimum distance =  2.50403143902541 Angstroms
sigma value = 53


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

Energy: 0.738358717346994
Energy: 0.5692356615414071
Energy: 0.5734637918176024
Energy: 0.5115261433489449
Energy: 0.5650134878185961
Energy: 0.5398438689009497
Energy: 0.5661107508819685
Energy: 0.5398438689009497
Energy: 0.5700433011276168
Energy: 0.5669268846506426
Energy: 0.5710777349662097
Energy: 0.5669268846506426
Energy: 0.5682731185481281
Energy: 0.5400689900112997
Energy: 0.5652069901881766
Energy: 0.5400689900112997
Energy: 0.5685626960349773
Energy: 0.5395666508994821
Energy: 0.5028675384110814
Energy: 0.5395666508994821
Energy: 0.5641033609339079
Energy: 0.5431426811168615
Energy: 0.5144273209185312
Energy: 0.5431426811168615
Energy: 0.6240011306717677
Energy: 0.5652991846190359
Energy: 0.5660657451630375
Energy: 0.5652991846190359
Energy: 0.6258899919022046
Energy: 0.5649387743344584
Energy: 0.5651044526478601
Energy: 0.5649387743344584
Energy: 0.5680669382535868
Energy: 0.5661516714021086
Energy: 0.5704408602059733
Energy: 0.5661516714021086
Energy: 0.5641535048408106
Energy: 0.5660491280385979
Energy: 0.5665094985244264
Energy: 0.5660491280385979
Energy: 0.5686892845346461
Energy: 0.5441671640214345
Energy: 0.5148343081560034
Energy: 0.5441671640214345
Energy: 0.5670250021514457
Energy: 0.5395973824552716
Energy: 0.5040118494022447
Energy: 0.5395973824552716
Energy: 0.6262511886118354
Energy: 0.5640354936916893
Energy: 0.5648001719173419
Energy: 0.5640354936916893

minimum gb energy = 0.5028675384110814 eV
minimum distance =  2.55022216927585 Angstroms
sigma value = 9


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

Energy: 0.7149110101652685
Energy: 0.6274674411380765
Energy: 0.6288615092246213
Energy: 0.5881357596089695
Energy: 0.5432395379806824
Energy: 0.5422247846137486
Energy: 0.6240272634841243
Energy: 0.5422247846143364
Energy: 0.5473182083138886
Energy: 0.5429000622029024
Energy: 0.6162252409118474
Energy: 0.5429000622029024
Energy: 0.5456277522486849
Energy: 0.5429812337197256
Energy: 0.6483749836550955
Energy: 0.5429812337191379
Energy: 0.54203904350141
Energy: 0.5419013018228094
Energy: 0.6548857013731298
Energy: 0.5419013018228094
Energy: 0.5419402036060497
Energy: 0.5417572668885179
Energy: 0.6538827820713465
Energy: 0.5417572668885179
Energy: 0.6246528982639171
Energy: 0.6160521711405574
Energy: 0.6222073960610743
Energy: 0.6160521711405574
Energy: 0.6236821628165626
Energy: 0.6151757009574308
Energy: 0.615756855396541
Energy: 0.6151757009574308
Energy: 0.5618999632384477
Energy: 0.5887696804650763
Energy: 0.5773484581247208
Energy: 0.5887696804650763
Energy: 0.544411962881303
Energy: 0.5838075535412676
Energy: 0.6183062638593573
Energy: 0.5838075535412676
Energy: 0.5596945176371534
Energy: 0.559828570906534
Energy: 0.5814828273088793
Energy: 0.559828570906534
Energy: 0.5684485496264333
Energy: 0.5605009745730062
Energy: 0.6495210730434561
Energy: 0.5605009745730062
Energy: 0.6223410789586618
Energy: 0.5598904552899148
Energy: 0.5708187781677212
Energy: 0.5598904552899148
Energy: 0.622127976128992
Energy: 0.5605335051654796
Energy: 0.5624244722189621
Energy: 0.5605335051654796
Energy: 0.6147302079072785
Energy: 0.568805663844075
Energy: 0.5664920257803441
Energy: 0.568805663844075
Energy: 0.5853731494751089
Energy: 0.6075853675525863
Energy: 0.5677005704904187
Energy: 0.6075853675525863
Energy: 0.6179603491774053
Energy: 0.5900233035376956
Energy: 0.5617691214029463
Energy: 0.5900233035376956
Energy: 0.6199680495814199
Energy: 0.6159865623554193
Energy: 0.6515105522381327
Energy: 0.6159865623554193
Energy: 0.6235035370477697
Energy: 0.5419802894656248
Energy: 0.5660151407003441
Energy: 0.5419802894662128
Energy: 0.6172064337690363
Energy: 0.5460547091902387
Energy: 0.5475084952239437
Energy: 0.5460547091902387
Energy: 0.6252360382805732
Energy: 0.542502905916709
Energy: 0.5432990046067235
Energy: 0.542502905916709
Energy: 0.653993896016309
Energy: 0.5416624082552637
Energy: 0.5418343251743554
Energy: 0.5416624082552637
Energy: 0.655288089032438
Energy: 0.541921392908518
Energy: 0.5424076846065525
Energy: 0.541921392908518
Energy: 0.6229682619085631
Energy: 0.6155658904010337
Energy: 0.6259697544020514
Energy: 0.6155658904010337
Energy: 0.6160571770839817
Energy: 0.6149465790421152
Energy: 0.6236969369096372
Energy: 0.6149465790421152
Energy: 0.5761076961788696
Energy: 0.6027437145479295
Energy: 0.5609288285052153
Energy: 0.6027437145473418
Energy: 0.6181809326166954
Energy: 0.5852175559823358
Energy: 0.5443534327816228
Energy: 0.5852175559823358
Energy: 0.5814540724608837
Energy: 0.5602216453770351
Energy: 0.5600503718270473
Energy: 0.5602216453770351
Energy: 0.6504802691335507
Energy: 0.5669576117459326
Energy: 0.5694057094711641
Energy: 0.5669576117459326
Energy: 0.5708507382834814
Energy: 0.5599662605884614
Energy: 0.623758786169318
Energy: 0.5599662605884614
Energy: 0.5638826071920092
Energy: 0.5603750312578425
Energy: 0.6158375631942413
Energy: 0.5603750312578425
Energy: 0.5674428017230776
Energy: 0.5656587809824706
Energy: 0.6152244660334172
Energy: 0.5656587809824706
Energy: 0.5675676508725224
Energy: 0.6101947539482268
Energy: 0.5816024303397078
Energy: 0.6101947539482268
Energy: 0.5613412669636388
Energy: 0.5913859186522107
Energy: 0.5847697232727804
Energy: 0.5913859186522107
Energy: 0.6503071735269718
Energy: 0.6160213145960154
Energy: 0.6193081764916691
Energy: 0.6160213145966031

minimum gb energy = 0.5416624082552637 eV
minimum distance =  2.50351987986916 Angstroms
sigma value = 73


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

Energy: 0.7653498635865625
Energy: 0.6116489826523546
Energy: 0.6117597290217379
Energy: 0.5669526372376935
Energy: 0.5491097860832939
Energy: 0.5461923830655834
Energy: 0.5954968521954835
Energy: 0.5461923830655834
Energy: 0.5487175335623479
Energy: 0.5467982567910018
Energy: 0.6096238604919765
Energy: 0.5467982567910018
Energy: 0.546962190875002
Energy: 0.5464405589393833
Energy: 0.6399953572147288
Energy: 0.5464405589393833
Energy: 0.5474747749470378
Energy: 0.5461095393722495
Energy: 0.6194761636819498
Energy: 0.5461095393722495
Energy: 0.5754318250337217
Energy: 0.5462813259409203
Energy: 0.6193377591646557
Energy: 0.5462813259409203
Energy: 0.5730125240478062
Energy: 0.6077402999241541
Energy: 0.6180291688219477
Energy: 0.6077402999241541
Energy: 0.5735317653383674
Energy: 0.6074749410476241
Energy: 0.6078445445506334
Energy: 0.6074749410476241
Energy: 0.5710587494324327
Energy: 0.6104920862694189
Energy: 0.6084904071753474
Energy: 0.6104920862694189
Energy: 0.5723226137969166
Energy: 0.6255183438751023
Energy: 0.6084807097009405
Energy: 0.6255183438751023
Energy: 0.5708652572292622
Energy: 0.5355841929068318
Energy: 0.546603198050905
Energy: 0.5355841929068318
Energy: 0.5676010043840254
Energy: 0.5365325403567833
Energy: 0.6499676071565441
Energy: 0.5365325403558506
Energy: 0.6178515601697667
Energy: 0.5370062549083439
Energy: 0.5634140759975556
Energy: 0.5370062549083439
Energy: 0.6102593140729706
Energy: 0.5653757759604322
Energy: 0.5644517344286186
Energy: 0.5653757759604322
Energy: 0.6170193008945054
Energy: 0.56217267651611
Energy: 0.5617367533965947
Energy: 0.56217267651611
Energy: 0.6436610474913518
Energy: 0.56080922246328
Energy: 0.5617895909540898
Energy: 0.56080922246328
Energy: 0.6193841543889257
Energy: 0.5625622417574108
Energy: 0.5623976014850368
Energy: 0.5625622417574108
Energy: 0.6012709408159075
Energy: 0.5997331045664746
Energy: 0.588035621093126
Energy: 0.5997331045664746
Energy: 0.5936762011729105
Energy: 0.5938824000008119
Energy: 0.5744238101751195
Energy: 0.5938824000008119
Energy: 0.6013124227644727
Energy: 0.5882287063433381
Energy: 0.5921791184531621
Energy: 0.5882287063433381
Energy: 0.5932810756600261
Energy: 0.58769284106729
Energy: 0.5688902455487381
Energy: 0.58769284106729
Energy: 0.6209095012745592
Energy: 0.5897949653002307
Energy: 0.5905672838727195
Energy: 0.5897949653002307

minimum gb energy = 0.5355841929068318 eV
minimum distance =  2.48475611311113 Angstroms
sigma value = 7


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

Energy: 0.6543611849967647
Energy: 0.6176450516349159
Energy: 0.6179158487215564
Energy: 0.5736986763592
Energy: 0.551191194734491
Energy: 0.5926083665944115
Energy: 0.5965040064019695
Energy: 0.5926083665944115
Energy: 0.5520771813226925
Energy: 0.5515312020170879
Energy: 0.619629416498621
Energy: 0.5515312020170879
Energy: 0.5500669934679748
Energy: 0.5503383503468012
Energy: 0.641875314175872
Energy: 0.5503383503468012
Energy: 0.5500080764877219
Energy: 0.548867745691408
Energy: 0.6422033937520932
Energy: 0.548867745691408
Energy: 0.579703955909443
Energy: 0.5490042350601101
Energy: 0.6413132220527723
Energy: 0.5490042350601101
Energy: 0.5710548120718154
Energy: 0.5499726822105228
Energy: 0.553658517019478
Energy: 0.5499726822105228
Energy: 0.6001442660627019
Energy: 0.5493616808867048
Energy: 0.5502917597779956
Energy: 0.5493616808867048
Energy: 0.6399469873998994
Energy: 0.5524349358564704
Energy: 0.5538406991982043
Energy: 0.5524349358564704
Energy: 0.6278309218037191
Energy: 0.6464880848508984
Energy: 0.5496924085078689
Energy: 0.6464880848502389
Energy: 0.6391016471780601
Energy: 0.6056588765211943
Energy: 0.5740458317612257
Energy: 0.6056588765211943
Energy: 0.6096167824675122
Energy: 0.6074766843700257
Energy: 0.6065984463202733
Energy: 0.6074766843700257
Energy: 0.6092304948269124
Energy: 0.6110639105568001
Energy: 0.5787205164802868
Energy: 0.6110639105568001
Energy: 0.6125596792380519
Energy: 0.6164910326880071
Energy: 0.5735988455174186
Energy: 0.6164910326880071
Energy: 0.6086030228642956
Energy: 0.6167685422896083
Energy: 0.5736973817281749
Energy: 0.6167685422896083
Energy: 0.554503302383386
Energy: 0.5514372692006024
Energy: 0.5816223939425501
Energy: 0.5514372692006024
Energy: 0.5530601689293098
Energy: 0.5490385762308518
Energy: 0.5833002096554959
Energy: 0.5490385762308518
Energy: 0.5628360320785456
Energy: 0.5957990943258337
Energy: 0.6194278523326492
Energy: 0.5957990943258337
Energy: 0.5679468609670285
Energy: 0.5676191787530562
Energy: 0.5829476347308987
Energy: 0.5676191787530562
Energy: 0.5637877099213054
Energy: 0.5634004333047788
Energy: 0.579060135360749
Energy: 0.5634004333047788
Energy: 0.59474890801549
Energy: 0.5628110877721492
Energy: 0.645100185180317
Energy: 0.5628110877721492
Energy: 0.6019854916899798
Energy: 0.5502330711475112
Energy: 0.5779290993446499
Energy: 0.5502330711468517
Energy: 0.6031775643588282
Energy: 0.5499701425554155
Energy: 0.5511172573466374
Energy: 0.5499701425554155
Energy: 0.6319953947666064
Energy: 0.5511390819233797
Energy: 0.5509680456685886
Energy: 0.5511390819233797
Energy: 0.6148567939749243
Energy: 0.5523251204132398
Energy: 0.5534485441048059
Energy: 0.5523251204132398
Energy: 0.6411052508797811
Energy: 0.6196711268264349
Energy: 0.5522192506619995
Energy: 0.6196711268264349
Energy: 0.6186611050133044
Energy: 0.5984300273518709
Energy: 0.838322428744052
Energy: 0.5984300273512114
Energy: 0.5925271152753899
Energy: 0.5933137049584141
Energy: 0.5962122650752987
Energy: 0.5933137049584141
Energy: 0.6010849987593516
Energy: 0.5839878229049994
Energy: 0.5956376078908043
Energy: 0.5839878229049994
Energy: 0.5923599361474547
Energy: 0.5989219095820005
Energy: 0.5735589928784275
Energy: 0.5989219095820005
Energy: 0.5752699351300685
Energy: 0.5912557195566482
Energy: 0.5931980168387916
Energy: 0.5912557195566482

minimum gb energy = 0.548867745691408 eV
minimum distance =  2.48841988255986 Angstroms
sigma value = 29


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

Energy: 0.5259229313180429
Energy: 0.621123244805407
Energy: 0.5334210186219493
Energy: 0.522945654677861
Energy: 0.5289640808620758
Energy: 0.5664955482618075
Energy: 0.5291353041458641
Energy: 0.5664955482618075
Energy: 0.5279725586170051
Energy: 0.5620566878681176
Energy: 0.5227966339486592
Energy: 0.5620566878681176
Energy: 0.5238274810204697
Energy: 0.5255936521581323
Energy: 0.5287835197825722
Energy: 0.5255936521581323
Energy: 0.5283461083429976
Energy: 0.5293942155710627
Energy: 0.5214458930955187
Energy: 0.5293942155710627
Energy: 0.5283547377459877
Energy: 0.5655219430046207
Energy: 0.5220061451163501
Energy: 0.5655219430046207
Energy: 0.5213601648670544
Energy: 0.5625006861858729
Energy: 0.5281799614039957
Energy: 0.5625006861858729
Energy: 0.5296833677794409
Energy: 0.5294270018914506
Energy: 0.5277588642419776
Energy: 0.5294270018914506
Energy: 0.5284915749287681
Energy: 0.5312930746428203
Energy: 0.5282497286632927
Energy: 0.5312930746425906

minimum gb energy = 0.5213601648670544 eV
minimum distance =  2.52007054483118 Angstroms
sigma value = 5


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

Energy: 0.7141725387605502
Energy: 0.5795524955829621
Energy: 0.5815621424962476
Energy: 0.4953197950881201
Energy: 0.5839425170825804
Energy: 0.5056370283001249
Energy: 0.5896253921069874
Energy: 0.5056370283001249
Energy: 0.586590635373004
Energy: 0.5426606005082374
Energy: 0.5982158151202609
Energy: 0.5426606005082374
Energy: 0.5143554113951374
Energy: 0.5042508365712133
Energy: 0.5831239296621205
Energy: 0.5042508365712133
Energy: 0.5823820906368224
Energy: 0.50399680321232
Energy: 0.5954667692681377
Energy: 0.50399680321232
Energy: 0.5040726167013637
Energy: 0.5040529076458437
Energy: 0.598689994457165
Energy: 0.5040529076458437
Energy: 0.5041091912614358
Energy: 0.5042316197857091
Energy: 0.5840589946274324
Energy: 0.5042316197857091
Energy: 0.5107060935786103
Energy: 0.5067000735653897
Energy: 0.6553896878408904
Energy: 0.5067000735653897
Energy: 0.5199234941826056
Energy: 0.5220851834129706
Energy: 0.6521124843821824
Energy: 0.5220851834123476
Energy: 0.5993905285184449
Energy: 0.49694024860533986
Energy: 0.4982474899986766
Energy: 0.49694024860533986
Energy: 0.5187134713652315
Energy: 0.4939612445612162
Energy: 0.49595795127562736
Energy: 0.4939612445612162
Energy: 0.674358728414575
Energy: 0.49277103970772096
Energy: 0.493107906931736
Energy: 0.49277103970772096
Energy: 0.6785409858683229
Energy: 0.4933800002990189
Energy: 0.4934045995012255
Energy: 0.49338000029839585
Energy: 0.5154522447576005
Energy: 0.519213820683238
Energy: 0.5977878387591496
Energy: 0.519213820683238
Energy: 0.5054363694446521
Energy: 0.5040435105952528
Energy: 0.5982214162946248
Energy: 0.5040435105952528
Energy: 0.509441564399103
Energy: 0.5047439078893969
Energy: 0.5828869391410629
Energy: 0.5047439078893969
Energy: 0.5076644068566345
Energy: 0.5054516578322116
Energy: 0.5146037117003756
Energy: 0.5054516578322116
Energy: 0.5875608805377424
Energy: 0.5092425726097676
Energy: 0.5189858998396897
Energy: 0.5092425726097676
Energy: 0.5901366277774825
Energy: 0.5442563460601293
Energy: 0.5879821711442869
Energy: 0.5442563460601293
Energy: 0.5849512519102029
Energy: 0.504418617847637
Energy: 0.5143730310819381
Energy: 0.504418617847637
Energy: 0.5987888807132611
Energy: 0.5041406146306444
Energy: 0.5827423960522063
Energy: 0.5041406146306444
Energy: 0.5963377383066711
Energy: 0.5039352518402069
Energy: 0.5041688702520589
Energy: 0.5039352518402069
Energy: 0.5829615471699616
Energy: 0.5038891919797843
Energy: 0.5039686630051675
Energy: 0.5038891919797843
Energy: 0.6544012508822288
Energy: 0.504952775214112
Energy: 0.5091373659746876
Energy: 0.504952775214112
Energy: 0.6532539181298049
Energy: 0.5197507053507576
Energy: 0.5190168660819106
Energy: 0.5197507053507576
Energy: 0.4971526795693865
Energy: 0.4959519424769965
Energy: 0.5995615535713389
Energy: 0.49595194247824254
Energy: 0.49741386694368905
Energy: 0.49520990852787194
Energy: 0.520090583466031
Energy: 0.49520990852787194
Energy: 0.4945126317580889
Energy: 0.49319964055856563
Energy: 0.525292482389944
Energy: 0.49319964055856563
Energy: 0.4934588934878552
Energy: 0.49399386211105273
Energy: 0.6541830035901394
Energy: 0.4939938621116757
Energy: 0.5982520098650619
Energy: 0.5189404726478689
Energy: 0.5160356967206987
Energy: 0.5189404726478689
Energy: 0.596507091455591
Energy: 0.5042324264967406
Energy: 0.5065727591045083
Energy: 0.5042324264967406
Energy: 0.5821463565816092
Energy: 0.5041707305669622
Energy: 0.5067194797944005
Energy: 0.5041707305669622
Energy: 0.5148086818428685
Energy: 0.5044641587100757
Energy: 0.50579007869884
Energy: 0.5044641587100757

minimum gb energy = 0.49277103970772096 eV
minimum distance =  2.50855697615287 Angstroms
sigma value = 1


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

Energy: 0.8417028514750462
Energy: 0.48183031513732755
Energy: 0.5623619733188294
Energy: 0.4693373042826834
Energy: 0.5481730955274685
Energy: 0.48286383834528873
Energy: 0.5957840761040516
Energy: 0.48286383834528873
Energy: 0.5544349382067858
Energy: 0.5311770807953686
Energy: 0.5962486818273135
Energy: 0.5311770807953686
Energy: 0.5492512476874177
Energy: 0.531006120806679
Energy: 0.5903659919160136
Energy: 0.5310061208058175
Energy: 0.5480981339197146
Energy: 0.4850106995409668
Energy: 0.5511414943698619
Energy: 0.4850106995409668
Energy: 0.4849068519282479
Energy: 0.4847844509483069
Energy: 0.5508199853170347
Energy: 0.4847844509483069
Energy: 0.48483974160741145
Energy: 0.48483395890166164
Energy: 0.5905353888001853
Energy: 0.48483395890166164
Energy: 0.4920068176070307
Energy: 0.48731416171367054
Energy: 0.6429124746203572
Energy: 0.48731416171367054
Energy: 0.4979327504617173
Energy: 0.5114122607217917
Energy: 0.6429357452141548
Energy: 0.5114122607217917
Energy: 0.6331883024642032
Energy: 0.4648649863524671
Energy: 0.5202020576856673
Energy: 0.4648649863524671
Energy: 0.4893299056771135
Energy: 0.46434876106890705
Energy: 0.5221762796099392
Energy: 0.4643487610714716
Energy: 0.6797037015456346
Energy: 0.46183883967234346
Energy: 0.5178100379093277
Energy: 0.46183883967234346
Energy: 0.6799531996380325
Energy: 0.462744353898799
Energy: 0.5191460171189507
Energy: 0.462744353898799
Energy: 0.4892700619580536
Energy: 0.5129038680794273
Energy: 0.6277369840108719
Energy: 0.5129038680794273
Energy: 0.5486523435741981
Energy: 0.5694286060744237
Energy: 0.6273554804976298
Energy: 0.5694286060744237
Energy: 0.5509773318404381
Energy: 0.5701540159483999
Energy: 0.5962421255122674
Energy: 0.5701540159483999
Energy: 0.48638449180692944
Energy: 0.48676206386336296
Energy: 0.5479263533252644
Energy: 0.48676206386336296
Energy: 0.49061151327635816
Energy: 0.4875467374584052
Energy: 0.550783332188596
Energy: 0.4875467374584052
Energy: 0.4857003361898761
Energy: 0.48645377853555044
Energy: 0.6421119347445732
Energy: 0.48645377853555044
Energy: 0.4852222712995062
Energy: 0.4879631165640018
Energy: 0.6430585860080127
Energy: 0.4879631165640018
Energy: 0.6459404446141611
Energy: 0.4813407998254453
Energy: 0.5913918883550103
Energy: 0.4813407998254453
Energy: 0.6328679784351519
Energy: 0.48087812320445655
Energy: 0.4831355441731448
Energy: 0.48087812320445655
Energy: 0.5464867569580364
Energy: 0.47985353146815085
Energy: 0.4805215213786092
Energy: 0.47985353146815085
Energy: 0.6412245922446226
Energy: 0.4806794947098876
Energy: 0.48205284454282166
Energy: 0.4806794947098876

minimum gb energy = 0.46183883967234346 eV
minimum distance =  2.48926781992718 Angstroms
sigma value = 17


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

Energy: 0.8197059497854017
Energy: 0.5583195904223769
Energy: 0.5590892709914048
Energy: 0.4633752150066572
Energy: 0.47171888299247855
Energy: 0.4730793853816473
Energy: 0.5471717722835437
Energy: 0.4730793853816473
Energy: 0.6046451428927223
Energy: 0.5689239100767035
Energy: 0.5525121675079825
Energy: 0.5689239100767035
Energy: 0.6110293740230727
Energy: 0.496177608298612
Energy: 0.5423033241903402
Energy: 0.496177608298612
Energy: 0.5358618603180337
Energy: 0.4632828575292111
Energy: 0.615722929472884
Energy: 0.4632828575286787
Energy: 0.46354655715607324
Energy: 0.4628047073138803
Energy: 0.6165644465480956
Energy: 0.4628047073138803
Energy: 0.46308151679357795
Energy: 0.46291369521350106
Energy: 0.4819319670540465
Energy: 0.46291369521350106
Energy: 0.4664524968724671
Energy: 0.4641792855443301
Energy: 0.6124022344285646
Energy: 0.4641792855443301
Energy: 0.6134333903927478
Energy: 0.4628441662694538
Energy: 0.6041907567338833
Energy: 0.4628441662694538
Energy: 0.5569174251505971
Energy: 0.49828460036338734
Energy: 0.5446692144625526
Energy: 0.49828460036391975
Energy: 0.6111209573292334
Energy: 0.4715638040864466
Energy: 0.47946561333954096
Energy: 0.4715638040864466
Energy: 0.6144240819928868
Energy: 0.47239257370732235
Energy: 0.541721396620164
Energy: 0.47239257370678994
Energy: 0.6205946485474957
Energy: 0.47218178339118927
Energy: 0.47228029404828026
Energy: 0.47218178339118927
Energy: 0.5478897703999729
Energy: 0.47123689861480766
Energy: 0.47144441688896116
Energy: 0.47123689861427526
Energy: 0.6081724453923542
Energy: 0.4726995838631734
Energy: 0.47588160296003795
Energy: 0.4726995838631734
Energy: 0.6213794274274245
Energy: 0.4719184122437082
Energy: 0.4749947110548415
Energy: 0.4719184122437082
Energy: 0.4721925484410849
Energy: 0.47575058934520187
Energy: 0.6082104513026799
Energy: 0.47575058934520187
Energy: 0.47169774266988135
Energy: 0.4713655813431158
Energy: 0.612155554277697
Energy: 0.4713655813431158
Energy: 0.47413344809120317
Energy: 0.4754638207649292
Energy: 0.6021030432539898
Energy: 0.4754638207649292
Energy: 0.4721833002188708
Energy: 0.47160348856277745
Energy: 0.6140318674458306
Energy: 0.47160348856277745
Energy: 0.5473483539238371
Energy: 0.4719599919985368
Energy: 0.5355317235173761
Energy: 0.4719599919985368
Energy: 0.545621301516367
Energy: 0.5699113339099147
Energy: 0.6065909862439708
Energy: 0.5699113339099147
Energy: 0.5435007687881502
Energy: 0.49525812531299485
Energy: 0.6096370365388222
Energy: 0.49525812531299485
Energy: 0.6170607590297597
Energy: 0.4652793631897938
Energy: 0.5349128891485918
Energy: 0.4652793631892614
Energy: 0.6142962230308985
Energy: 0.4625657619715755
Energy: 0.46290853300697876
Energy: 0.4625657619715755
Energy: 0.5422438628042202
Energy: 0.46313382375681655
Energy: 0.46527626539969946
Energy: 0.46313382375681655
Energy: 0.6120770223157069
Energy: 0.46280409824684027
Energy: 0.46350886007636516
Energy: 0.4628040982473727
Energy: 0.5431738830595078
Energy: 0.46443369950872176
Energy: 0.611465206345533
Energy: 0.46443369950872176
Energy: 0.5471851875186517
Energy: 0.4991895893809956
Energy: 0.5539094727964007
Energy: 0.49918958938259284
Energy: 0.4796629555445952
Energy: 0.4713369321427026
Energy: 0.6104734165428067
Energy: 0.47133693214163785
Energy: 0.5417112465628209
Energy: 0.471184695685671
Energy: 0.6163131418232068
Energy: 0.4711846956862034
Energy: 0.4719456694668388
Energy: 0.47148826604834576
Energy: 0.6170842396510748
Energy: 0.47148826604834576
Energy: 0.4708250351138953
Energy: 0.4711797502933279
Energy: 0.5487025253340573
Energy: 0.4711797502933279
Energy: 0.4776887067974519
Energy: 0.4744451767865975
Energy: 0.6121145579050888
Energy: 0.4744451767865975
Energy: 0.4766518543096865
Energy: 0.4873110613065092
Energy: 0.6203093742734074
Energy: 0.4873110613065092
Energy: 0.6103145245106576
Energy: 0.4757305332016243
Energy: 0.47212847359944715
Energy: 0.4757305332016243
Energy: 0.6103623819341333
Energy: 0.47207721106695966
Energy: 0.47278533116297183
Energy: 0.47207721106695966
Energy: 0.6040853406976898
Energy: 0.47186185570591854
Energy: 0.47161401504988343
Energy: 0.47186185570591854

minimum gb energy = 0.4625657619715755 eV
minimum distance =  2.49975780545411 Angstroms
sigma value = 89


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

Energy: 0.8725086179317686
Energy: 0.42798258604182265
Energy: 0.42746947177394684
Energy: 0.42628245991374475
Energy: 0.4289834049112266
Energy: 0.46911861366247165
Energy: 0.4311073886281655
Energy: 0.46911861366247165
Energy: 0.4317794954959144
Energy: 0.46837218526282903
Energy: 0.43551632645720867
Energy: 0.46837218526282903
Energy: 0.42560792757614824
Energy: 0.4657827923276846
Energy: 0.42650130832477356
Energy: 0.4657827923276846
Energy: 0.42605766130717154
Energy: 0.4263008585164795
Energy: 0.4333304622406733
Energy: 0.4263008585164795
Energy: 0.4285024063477111
Energy: 0.4259330380845393
Energy: 0.4333445117992166
Energy: 0.4259330380845393
Energy: 0.426195277419474
Energy: 0.4256113404852085
Energy: 0.42713647793989146
Energy: 0.4256113404866015
Energy: 0.4265518037776905
Energy: 0.4294746932195667
Energy: 0.4258759835356302
Energy: 0.4294746932195667
Energy: 0.4290008270024018
Energy: 0.42568909183846937
Energy: 0.42643410399696363
Energy: 0.42568909183846937
Energy: 0.4295227337171677
Energy: 0.46610521941184413
Energy: 0.4290717765643603
Energy: 0.46610521941184413
Energy: 0.42717564965697324
Energy: 0.4652504973048825
Energy: 0.42322663771283964
Energy: 0.4652504973048825
Energy: 0.4331533213315461
Energy: 0.42579620539129154
Energy: 0.4274801420007688
Energy: 0.42579620539129154
Energy: 0.4337584171266555
Energy: 0.4281236401389396
Energy: 0.4259178380322651
Energy: 0.4281236401389396
Energy: 0.4267047882489379
Energy: 0.4255604995758724
Energy: 0.4259549805064457
Energy: 0.4255604995758724
Energy: 0.42585451792410217
Energy: 0.4264978344385896
Energy: 0.42783455162242257
Energy: 0.4264978344385896

minimum gb energy = 0.42322663771283964 eV
minimum distance =  2.52393405110925 Angstroms
sigma value = 13


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

Energy: 0.7713416498122091
Energy: 0.4013159765694059
Energy: 0.5057587786583853
Energy: 0.395307836592323
Energy: 0.475515127721048
Energy: 0.3990248112728071
Energy: 0.476738530245683
Energy: 0.3990248112728071
Energy: 0.3998259218651495
Energy: 0.3974712988941737
Energy: 0.4782077227576169
Energy: 0.3974712988941737
Energy: 0.5697067048944725
Energy: 0.39731653767375225
Energy: 0.47829986962138815
Energy: 0.39731653767375225
Energy: 0.4796389229250078
Energy: 0.3995601778208873
Energy: 0.4769129468611488
Energy: 0.3995601778208873
Energy: 0.48131070092171635
Energy: 0.3981783112425553
Energy: 0.4759121099354898
Energy: 0.3981783112425553
Energy: 0.479210280583071
Energy: 0.3972612082071342
Energy: 0.4759890309099719
Energy: 0.3972612082071342
Energy: 0.4013782770121864
Energy: 0.3977490895171219
Energy: 0.48219770187303257
Energy: 0.39774908951653803
Energy: 0.39739059488296946
Energy: 0.39750658619274637
Energy: 0.480597818030369
Energy: 0.39750658619274637
Energy: 0.39724364831702486
Energy: 0.39703648345448156
Energy: 0.4792119691145353
Energy: 0.39703648345448156
Energy: 0.3991431878547048
Energy: 0.3970234408807067
Energy: 0.40727664639129235
Energy: 0.3970234408807067
Energy: 0.476817190401436
Energy: 0.42113871441539663
Energy: 0.47955773334730917
Energy: 0.4211387144159805
Energy: 0.4783259613140528
Energy: 0.4205641453345864
Energy: 0.4758511584999587
Energy: 0.4205641453345864
Energy: 0.5605913285048059
Energy: 0.4198650679293044
Energy: 0.5561963139757542
Energy: 0.4198650679293044
Energy: 0.48502422375374216
Energy: 0.3999195473607396
Energy: 0.4789266901933889
Energy: 0.3999195473607396
Energy: 0.48312194958027876
Energy: 0.39861995833788993
Energy: 0.4010507701076011
Energy: 0.39861995833788993
Energy: 0.5601220895739081
Energy: 0.39773768712860413
Energy: 0.3990660997206252
Energy: 0.3977376871280203
Energy: 0.4070544536460839
Energy: 0.3983215525235101
Energy: 0.39944381841674365
Energy: 0.3983215525229262
Energy: 0.5594463077939802
Energy: 0.39726153202998415
Energy: 0.47501223452885616
Energy: 0.39726153202998415
Energy: 0.4788031137739447
Energy: 0.39673316864781505
Energy: 0.4851633916546503
Energy: 0.39673316864781505
Energy: 0.5848548055252184
Energy: 0.39759597759839893
Energy: 0.4760299935197683
Energy: 0.39759597759839893
Energy: 0.47861336767534585
Energy: 0.3975087313335326
Energy: 0.4757562282831529
Energy: 0.3975087313335326
Energy: 0.47662600200257477
Energy: 0.3996053836808788
Energy: 0.4773301130507165
Energy: 0.3996053836808788
Energy: 0.4007209474041068
Energy: 0.3966865000497785
Energy: 0.5587960605218764
Energy: 0.3966865000497785
Energy: 0.4769993308067256
Energy: 0.39705071806527487
Energy: 0.4835301496336155
Energy: 0.39705071806585873
Energy: 0.3979947484343161
Energy: 0.3971672068622215
Energy: 0.4818127864014938
Energy: 0.3971672068622215
Energy: 0.3969843170292166
Energy: 0.39660972286193286
Energy: 0.5600073162521781
Energy: 0.39660972286193286
Energy: 0.3978802550287266
Energy: 0.3972792247929239
Energy: 0.40531452899897985
Energy: 0.3972792247929239
Energy: 0.4752887270065686
Energy: 0.39690974399371076
Energy: 0.5589834235240615
Energy: 0.39690974399371076
Energy: 0.48528454444539926
Energy: 0.41987802727379653
Energy: 0.4750031238692087
Energy: 0.41987802727379653
Energy: 0.5586462957681493
Energy: 0.42039488162345795
Energy: 0.5571838907338386
Energy: 0.42039488162404187
Energy: 0.4826075800846038
Energy: 0.39813042159719647
Energy: 0.5574250502845407
Energy: 0.39813042159719647
Energy: 0.4853501192732637
Energy: 0.3983567817664963
Energy: 0.39803891681625125
Energy: 0.3983567817664963
Energy: 0.5604776121791736
Energy: 0.39685702100669196
Energy: 0.39753508136069055
Energy: 0.39685702100669196
Energy: 0.5495048680358815
Energy: 0.3975370536495473
Energy: 0.39862300425201846
Energy: 0.3975370536495473

minimum gb energy = 0.395307836592323 eV
minimum distance =  2.51359933412462 Angstroms
sigma value = 37


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

Energy: 0.7531759608957046
Energy: 0.3628020710543309
Energy: 0.4745621169937928
Energy: 0.3585875605566826
Energy: 0.6217301901518116
Energy: 0.36206345764205866
Energy: 0.49742947116505465
Energy: 0.36206345764105413
Energy: 0.5596134878304156
Energy: 0.36133037274778135
Energy: 0.49671266208297193
Energy: 0.36133037274778135
Energy: 0.5607180333880126
Energy: 0.40465320722076953
Energy: 0.4955896275928715
Energy: 0.40465320722076953
Energy: 0.4866749809808559
Energy: 0.35540275929517623
Energy: 0.5627560291954942
Energy: 0.35540275929517623
Energy: 0.4901051445139922
Energy: 0.3548927429970605
Energy: 0.4878434440146276
Energy: 0.3548927429970605
Energy: 0.430154636644717
Energy: 0.3545152220626486
Energy: 0.6167653317344534
Energy: 0.3545152220626486
Energy: 0.429205584400328
Energy: 0.35477457014173225
Energy: 0.5617335637217062
Energy: 0.35477457014173225
Energy: 0.4246207042510047
Energy: 0.35259573591901466
Energy: 0.5622778650090571
Energy: 0.35259573591901466
Energy: 0.42372851566290254
Energy: 0.3530583667007693
Energy: 0.6159694457735356
Energy: 0.3530583667007693
Energy: 0.43614626274502755
Energy: 0.4355141568529029
Energy: 0.6745512350475737
Energy: 0.4355141568529029
Energy: 0.5568805387556427
Energy: 0.3530680245325579
Energy: 0.6158847301592301
Energy: 0.3530680245325579
Energy: 0.5586552342283898
Energy: 0.3523217956450584
Energy: 0.5596075842520751
Energy: 0.3523217956450584
Energy: 0.556244224108897
Energy: 0.39910947003999653
Energy: 0.5606918500223972
Energy: 0.39910947003999653
Energy: 0.5627560291954942
Energy: 0.39779714584777126
Energy: 0.48976419925938774
Energy: 0.39779714584777126
Energy: 0.6198887170152666
Energy: 0.3969632243903437
Energy: 0.3554772826266098
Energy: 0.3969632243903437
Energy: 0.6202999373587119
Energy: 0.39649765114569835
Energy: 0.4300175390253252
Energy: 0.39649765114569835
Energy: 0.5617335636986253
Energy: 0.3624658971825582
Energy: 0.36612918943434086
Energy: 0.3624658971825582
Energy: 0.5622778650100616
Energy: 0.36144577404354805
Energy: 0.36188302818872947
Energy: 0.36144577404354805
Energy: 0.6219141344868924
Energy: 0.3625981126303255
Energy: 0.36393886159908967
Energy: 0.3625981126303255

minimum gb energy = 0.3523217956450584 eV
minimum distance =  2.49932210397686 Angstroms
sigma value = 25


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

Energy: 0.86572296873376
Energy: 0.31654254850455354
Energy: 0.4389256959626039
Energy: 0.31634865848019206
Energy: 0.7131899285936562
Energy: 0.31511394488305383
Energy: 0.42606289999888486
Energy: 0.31511394488305383
Energy: 0.7125203376314139
Energy: 0.3138341087468433
Energy: 0.42612063896702373
Energy: 0.3138341087468433
Energy: 0.5790860360225091
Energy: 0.3148002630033992
Energy: 0.49956919237279446
Energy: 0.3148002630033992
Energy: 0.6256923329545633
Energy: 0.3502222301186536
Energy: 0.6245989048302198
Energy: 0.3502222301186536
Energy: 0.57520343740851
Energy: 0.3487405159173694
Energy: 0.6225278473153488
Energy: 0.3487405159173694
Energy: 0.5772775567318995
Energy: 0.3119851158668971
Energy: 0.6190583345763855
Energy: 0.31198511586768146
Energy: 0.41924556581848416
Energy: 0.30985619923442015
Energy: 0.661881513685127
Energy: 0.3098561992336357
Energy: 0.4174044987848544
Energy: 0.31223357493664206
Energy: 0.620959007557097
Energy: 0.31223357493664206
Energy: 0.4160759343705983
Energy: 0.31062390465746853
Energy: 0.7067721775017666
Energy: 0.31062390465746853
Energy: 0.3746269182482776
Energy: 0.3133307959820306
Energy: 0.7425580641510056
Energy: 0.3133307959820306
Energy: 0.36769219527676567
Energy: 0.3108147164029435
Energy: 0.7069682579596342
Energy: 0.3108147164029435
Energy: 0.36862130473745724
Energy: 0.3113583507408058
Energy: 0.7053650180746849
Energy: 0.3113583507408058
Energy: 0.37184992791705734
Energy: 0.30991848234611874
Energy: 0.7047502903465002
Energy: 0.30991848234611874
Energy: 0.47827633502796624
Energy: 0.3091658306751207
Energy: 0.7083169414170759
Energy: 0.3091658306751207
Energy: 0.4769011160923193
Energy: 0.3103706489166104
Energy: 0.7148958317503609
Energy: 0.3103706489166104
Energy: 0.5292633620098764
Energy: 0.31061347746859647
Energy: 0.6660739156530526
Energy: 0.31061347746781204
Energy: 0.482095293400927
Energy: 0.34944503074056377
Energy: 0.5325552761838903
Energy: 0.34944503074056377
Energy: 0.614528774172088
Energy: 0.34421425448027787
Energy: 0.5767116491081077
Energy: 0.34421425448027787
Energy: 0.6182463676618493
Energy: 0.34751519750761595
Energy: 0.576038890725681
Energy: 0.34751519750761595
Energy: 0.6615948970142976
Energy: 0.3461312441612123
Energy: 0.42570863385581476
Energy: 0.3461312441612123
Energy: 0.7133842387501506
Energy: 0.313529626320833
Energy: 0.3702055936777099
Energy: 0.313529626320833
Energy: 0.7081121192726697
Energy: 0.31381491625588426
Energy: 0.4223599931007196
Energy: 0.31381491625588426
Energy: 0.6617175685289185
Energy: 0.3153207801610725
Energy: 0.31781599858821735
Energy: 0.3153207801610725
Energy: 0.7119861575265282
Energy: 0.31381687040405365
Energy: 0.31455109206158033
Energy: 0.31381687040405365
Energy: 0.7142853808754029
Energy: 0.31494216181257756
Energy: 0.3160986774340623
Energy: 0.31494216181257756

minimum gb energy = 0.3091658306751207 eV
minimum distance =  2.50908155371114 Angstroms
sigma value = 41


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

Energy: 0.8851396284300753
Energy: 0.2823340783707998
Energy: 0.41235857328856307
Energy: 0.28367362265125146
Energy: 0.766248795925549
Energy: 0.28056540185893775
Energy: 0.3714986115431686
Energy: 0.28056540185893775
Energy: 0.7654287755543534
Energy: 0.2801418354415991
Energy: 0.3743437165588274
Energy: 0.2801418354422422
Energy: 0.622375450695317
Energy: 0.28144774922682425
Energy: 0.4699803065566507
Energy: 0.28144774922682425
Energy: 0.6969136014149586
Energy: 0.2787259291558827
Energy: 0.5431528525464687
Energy: 0.2787259291552396
Energy: 0.6169081273675446
Energy: 0.3990811924014015
Energy: 0.5405277431757458
Energy: 0.3990811924014015
Energy: 0.6201354826010236
Energy: 0.3097228332351235
Energy: 0.6188826434862615
Energy: 0.3097228332351235
Energy: 0.5449433879040712
Energy: 0.3084440958745563
Energy: 0.544884516213065
Energy: 0.3084440958745563
Energy: 0.46470354196531033
Energy: 0.3081684716344045
Energy: 0.6908197752230242
Energy: 0.30816847163890604
Energy: 0.4640417919218278
Energy: 0.2790097206407694
Energy: 0.6955733571759933
Energy: 0.2790097206407694
Energy: 0.3763381476915984
Energy: 0.2828815414423757
Energy: 0.6988631777574196
Energy: 0.2828815414417326
Energy: 0.3735805630335088
Energy: 0.27933996064936856
Energy: 0.7652443592577431
Energy: 0.27933996064936856
Energy: 0.373233570285272
Energy: 0.2822977894393667
Energy: 0.7661868660777856
Energy: 0.2822977894393667
Energy: 0.285320580670385
Energy: 0.28160551796822614
Energy: 0.6955128616604059
Energy: 0.28160551796822614
Energy: 0.28010951508789517
Energy: 0.2797546028133384
Energy: 0.7645751290324505
Energy: 0.2797546028133384
Energy: 0.2825569816996455
Energy: 0.2817918224908633
Energy: 0.767745180474588
Energy: 0.2817918224908633
Energy: 0.3759926636138505
Energy: 0.2835213522093236
Energy: 0.7687903605860349
Energy: 0.2835213522093236
Energy: 0.37413110987243303
Energy: 0.2789601684098012
Energy: 0.7635044207919909
Energy: 0.2789601684098012
Energy: 0.3729103443521047
Energy: 0.28046640757794067
Energy: 0.6187730557916028
Energy: 0.28046640757794067
Energy: 0.5405750036651533
Energy: 0.2804320381416782
Energy: 0.6176968129668416
Energy: 0.2804320381416782
Energy: 0.5479800874257881
Energy: 0.27900224826435566
Energy: 0.6908054496617639
Energy: 0.2790022482649987
Energy: 0.5409884850748811
Energy: 0.3083228230321441
Energy: 0.6205056049816905
Energy: 0.308322823030858
Energy: 0.6912972845128899
Energy: 0.307808823743462
Energy: 0.6159785331470115
Energy: 0.307808823743462
Energy: 0.544196184707194
Energy: 0.3087444025457631
Energy: 0.5423039165754826
Energy: 0.3087444025457631
Energy: 0.6897619785207099
Energy: 0.2796076228318167
Energy: 0.4681488176331059
Energy: 0.27960762283117363
Energy: 0.693018740366549
Energy: 0.2801750244234908
Energy: 0.5415003594814821
Energy: 0.2801750244234908
Energy: 0.6942744448689679
Energy: 0.28199115295380933
Energy: 0.37371294985262293
Energy: 0.28199115295380933
Energy: 0.7632951211165832
Energy: 0.2793407722294238
Energy: 0.3735785374994958
Energy: 0.2793407722294238
Energy: 0.6934020992394285
Energy: 0.27985167525364063
Energy: 0.37453862790923115
Energy: 0.27985167525364063
Energy: 0.6926118030223285
Energy: 0.2819167025212796
Energy: 0.2811656934407591
Energy: 0.2819167025212796
Energy: 0.7642815734282447
Energy: 0.27930723320621864
Energy: 0.2804020082394705
Energy: 0.27930723320621864
Energy: 0.770234025719236
Energy: 0.2814097185350726
Energy: 0.280742246200875
Energy: 0.2814097185344295

minimum gb energy = 0.2787259291552396 eV
minimum distance =  2.51759420918686 Angstroms
sigma value = 15


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

Energy: 0.8098888628012345
Energy: 0.2612530391424296
Energy: 0.3963838466033707
Energy: 0.26292520688515947
Energy: 0.8053938226781765
Energy: 0.25859605290708776
Energy: 0.33894666024823106
Energy: 0.25859605290708776
Energy: 0.8061261038626316
Energy: 0.2582304068650935
Energy: 0.33993048318163577
Energy: 0.2582304068650935
Energy: 0.7160312070799323
Energy: 0.2607871390501686
Energy: 0.4882163551191812
Energy: 0.2607871390501686
Energy: 0.7450490813161333
Energy: 0.25716066240248464
Energy: 0.4842401544243649
Energy: 0.2571606624019399
Energy: 0.7116737753258359
Energy: 0.2619234612252496
Energy: 0.4829707927335557
Energy: 0.2619234612263392
Energy: 0.5830509229295128
Energy: 0.2631453231695633
Energy: 0.6140607464542505
Energy: 0.2631453231695633
Energy: 0.6182408311185044
Energy: 0.28402060243572175
Energy: 0.518709159590658
Energy: 0.28402060243626653
Energy: 0.5824067498191223
Energy: 0.4622792943294373
Energy: 0.6131848653904552
Energy: 0.4622792943288926
Energy: 0.5815181476455639
Energy: 0.2595911912789131
Energy: 0.7397297836493719
Energy: 0.25959119335138164
Energy: 0.4877778240485071
Energy: 0.2631291836308808
Energy: 0.6557634515132741
Energy: 0.26312918362870164
Energy: 0.4508447726943282
Energy: 0.25904566362773507
Energy: 0.7398840569540566
Energy: 0.25904566362773507
Energy: 0.48354573883431295
Energy: 0.26074200427050576
Energy: 0.7727722583608294
Energy: 0.26074200427050576
Energy: 0.33605370160946724
Energy: 0.25790091816768895
Energy: 0.6517262217602465
Energy: 0.2579009181682337
Energy: 0.33471645646083886
Energy: 0.25776581046804675
Energy: 0.7729863905914227
Energy: 0.25776581046804675
Energy: 0.33352092907481734
Energy: 0.2577844767432324
Energy: 0.7746163673532052
Energy: 0.2577844767432324
Energy: 0.30173563732789305
Energy: 0.2591110870455222
Energy: 0.7773839656483377
Energy: 0.2591110870444327
Energy: 0.2976215468152448
Energy: 0.2564971284267123
Energy: 0.8012783801507506
Energy: 0.2564971284261675
Energy: 0.29896897158797403
Energy: 0.2617020255669396
Energy: 0.6813073301946219
Energy: 0.26170202556748434
Energy: 0.3802630703978176
Energy: 0.2602480936881081
Energy: 0.8074778452013719
Energy: 0.2602480936881081
Energy: 0.3822382061673126
Energy: 0.25626459367039683
Energy: 0.8007852707132544
Energy: 0.2562645936709416
Energy: 0.38174155047366215
Energy: 0.26002363049809535
Energy: 0.7151705795412752
Energy: 0.26002363049809535
Energy: 0.4766617970851233
Energy: 0.2566777480886499
Energy: 0.7108235657666522
Energy: 0.2566777480886499
Energy: 0.48170822565302224
Energy: 0.25770387021971364
Energy: 0.7102698212052267
Energy: 0.2577038701609276
Energy: 0.48059749596106716
Energy: 0.2584958750340913
Energy: 0.5866688801801486
Energy: 0.2584958748897757
Energy: 0.6156778213628177
Energy: 0.2827219939660713
Energy: 0.6767252581624934
Energy: 0.28272199395190717
Energy: 0.5165362932619755
Energy: 0.282499927810413
Energy: 0.6129296183394516
Energy: 0.28249992781422645
Energy: 0.6169360811409728
Energy: 0.28439702966042846
Energy: 0.5864217190235462
Energy: 0.28439702966151803
Energy: 0.648772978691496
Energy: 0.33786315058903416
Energy: 0.5872684602365738
Energy: 0.33786315058848937
Energy: 0.6475140963906901
Energy: 0.26084196740620796
Energy: 0.4827884913187157
Energy: 0.26084196740566323
Energy: 0.7437063768395735
Energy: 0.2572303635681211
Energy: 0.4507991255492606
Energy: 0.2572303635653972
Energy: 0.6508786594680003
Energy: 0.2600688925152505
Energy: 0.48784783714063773
Energy: 0.2600688925152505
Energy: 0.7733723576903431
Energy: 0.25843172302618606
Energy: 0.3400782964566646
Energy: 0.25843172302618606
Energy: 0.8061521213230394
Energy: 0.25789378417124353
Energy: 0.33934529439999045
Energy: 0.25789378417124353
Energy: 0.7806894482962599
Energy: 0.262622588213778
Energy: 0.2638164113266867
Energy: 0.2626225882132332
Energy: 0.8063926046365022
Energy: 0.25934204279017387
Energy: 0.257952482167963
Energy: 0.25934204279017387
Energy: 0.8055584514180311
Energy: 0.25969312137706146
Energy: 0.2606365267062603
Energy: 0.25969312137706146

minimum gb energy = 0.25626459367039683 eV
minimum distance =  2.51272413390719 Angstroms
sigma value = 85


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

Energy: 0.856380112883358
Energy: 0.22689344204636797
Energy: 0.22719171674281705
Energy: 0.23170306998166587
Energy: 0.8242339531303654
Energy: 0.22687976630417458
Energy: 0.29832868836275994
Energy: 0.22687976630417458
Energy: 0.7394213302191949
Energy: 0.22632132140219716
Energy: 0.2990994765185992
Energy: 0.22632132140219716
Energy: 0.6254603313715678
Energy: 0.22872961018645502
Energy: 0.42581973703168935
Energy: 0.22872961018645502
Energy: 0.7696720010306313
Energy: 0.22547582035359276
Energy: 0.4264866667052423
Energy: 0.22547582035312028
Energy: 0.6281202083817895
Energy: 0.22598604607455186
Energy: 0.42606260569275356
Energy: 0.2259860460740794
Energy: 0.6308083230955656
Energy: 0.22655943910835136
Energy: 0.5438178827723811
Energy: 0.22655943911024126
Energy: 0.6589743302188962
Energy: 0.22638372952861097
Energy: 0.45708082723688603
Energy: 0.22638372951490898
Energy: 0.6297457075751381
Energy: 0.22640628132368193
Energy: 0.5419562171103933
Energy: 0.2264062827376529
Energy: 0.629654713078915
Energy: 0.41980074211494833
Energy: 0.6552445070109914
Energy: 0.41980074211494833
Energy: 0.545430344381025
Energy: 0.22619473338801724
Energy: 0.5693858217444789
Energy: 0.22619436993380543
Energy: 0.5145875338297505
Energy: 0.22534767484008209
Energy: 0.6551708188296179
Energy: 0.22534767483677473
Energy: 0.5423475083194076
Energy: 0.22541224940408405
Energy: 0.6842271653384719
Energy: 0.22541224940408405
Energy: 0.42946625440590785
Energy: 0.22703574771641066
Energy: 0.5685835735176252
Energy: 0.22703574771641066
Energy: 0.39834680748914947
Energy: 0.2252020951190395
Energy: 0.7643517704032288
Energy: 0.22520209511951197
Energy: 0.4280273687808338
Energy: 0.22703116006142182
Energy: 0.6845381076775942
Energy: 0.22703116006094934
Energy: 0.29358327857888683
Energy: 0.22550277121818188
Energy: 0.6822531803450693
Energy: 0.22550277121818188
Energy: 0.29329097198089055
Energy: 0.22528281163046285
Energy: 0.7926919505689735
Energy: 0.22528281163093533
Energy: 0.29072392963511856
Energy: 0.2260710449028525
Energy: 0.7910942186355943
Energy: 0.2260710449028525
Energy: 0.2636782283815881
Energy: 0.22610396903686
Energy: 0.7910677169017882
Energy: 0.22610396903686
Energy: 0.26067295128843904
Energy: 0.22463959783368556
Energy: 0.8194490795401252
Energy: 0.22463959783368556
Energy: 0.2603955590320573
Energy: 0.2263544685688279
Energy: 0.7097351765704576
Energy: 0.2263544685693004
Energy: 0.33417188923518537
Energy: 0.22666099339598805
Energy: 0.8216131693206183
Energy: 0.22666099339598805
Energy: 0.3338089240381581
Energy: 0.2252296290360894
Energy: 0.8186346972349566
Energy: 0.2252296290360894
Energy: 0.33206112671271754
Energy: 0.22601398840673084
Energy: 0.6255943490869942
Energy: 0.22601398840673084
Energy: 0.4197982421728391
Energy: 0.2253814472421678
Energy: 0.8208383901754638
Energy: 0.2253814472421678
Energy: 0.4223899281358355
Energy: 0.22536995092179246
Energy: 0.7384000072321113
Energy: 0.2253699509236824
Energy: 0.471329376048725
Energy: 0.22602187411837607
Energy: 0.6261644188687032
Energy: 0.2260218740253398
Energy: 0.5443264188830169
Energy: 0.22514607433737366
Energy: 0.7397375660958323
Energy: 0.22514607435483408
Energy: 0.5430029415998657
Energy: 0.2251715416290357
Energy: 0.6279676969076963
Energy: 0.22517154155345984
Energy: 0.656389797565643
Energy: 0.2252616179890013
Energy: 0.5138955982438276
Energy: 0.22526161798663888
Energy: 0.5693076331153408
Energy: 0.3091827679648198
Energy: 0.6311900120491901
Energy: 0.30918276796529226
Energy: 0.6568657754173594
Energy: 0.4177977566356443
Energy: 0.5126200716918424
Energy: 0.4177977566356443
Energy: 0.7148251705469627
Energy: 0.22599076145498537
Energy: 0.5134668089312552
Energy: 0.22599075983084524
Energy: 0.5685608504539645
Energy: 0.22730237091174546
Energy: 0.4259040346305013
Energy: 0.22730237090843808
Energy: 0.7662538060508112
Energy: 0.225945040757692
Energy: 0.4265571448726202
Energy: 0.2259450407581645
Energy: 0.793286738020571
Energy: 0.22594526440145102
Energy: 0.4257300525289304
Energy: 0.22594526440145102
Energy: 0.6820965948221533
Energy: 0.22921827261454145
Energy: 0.29656358112609804
Energy: 0.22921827261454145
Energy: 0.8206635680440993
Energy: 0.225548122366099
Energy: 0.29797536797379176
Energy: 0.225548122366099
Energy: 0.7910034852976878
Energy: 0.22741494699861942
Energy: 0.29875111447547303
Energy: 0.22741494699861942
Energy: 0.6813817708130506
Energy: 0.22846173304234613
Energy: 0.22559864862166049
Energy: 0.22846173304234613
Energy: 0.8195417201663455
Energy: 0.2256048084764414
Energy: 0.2259584005082185
Energy: 0.2256048084764414
Energy: 0.7371535686048546
Energy: 0.22792358809282928
Energy: 0.22650381320220192
Energy: 0.2279235880923568

minimum gb energy = 0.22463959783368556 eV
minimum distance =  2.513569276765 Angstroms
sigma value = 113


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

Energy: 0.011738858296614856
Energy: 0.20926083609308296
Energy: 0.6236610980085545
Energy: 0.011953906383252366
Energy: 0.4694368298661672
Energy: 0.058427413689116685
Energy: 0.46916661347998795
Energy: 0.058427413689116685
Energy: 0.012227460503483837
Energy: 0.0578143679212556
Energy: 0.4684275126496636
Energy: 0.0578143679212556
Energy: 0.012800894523902833
Energy: 0.061539851673470564
Energy: 0.47098689846732983
Energy: 0.061539851673470564
Energy: 0.4706516834046376
Energy: 0.059721791414410544
Energy: 0.47092718855615806
Energy: 0.05972179141477376
Energy: 0.01214767112205887
Energy: 0.05768841553260917
Energy: 0.4685125350954043
Energy: 0.05768841553260917

minimum gb energy = 0.011738858296614856 eV
minimum distance =  2.78583914180028 Angstroms
sigma value = 1