Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642806077534
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.94765107381162e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010353198127759476
Energy: 0.26760470920524393
Energy: 0.01092591581776888
Energy: 0.012019444383307688
Energy: 0.2679306789708021
Energy: 0.010818061253145739
Energy: 0.2676047092081945
Energy: 0.049686635605309254
Energy: 0.0497617373042907
Energy: 0.049826778964134726
Energy: 0.049648908724355935
Energy: 0.049741390374495896
Energy: 0.010925915818242085
Energy: 0.049761737304791734
Energy: 0.05155524500684734
Energy: 0.011183104968008992
Energy: 0.04978956275134693
Energy: 0.0510299393606466
Energy: 0.012019444383558207
Energy: 0.049826778964385254
Energy: 0.011183104967758472
Energy: 0.01055705784982868
Energy: 0.04989315294927206
Energy: 0.01197320140408811
Energy: 0.2679306791789283
Energy: 0.04964890872410542
Energy: 0.04978956275109641
Energy: 0.04989315294927206
Energy: 0.04967420216495645
Energy: 0.049869381755675
Energy: 0.010818061253145739
Energy: 0.04974139037471858
Energy: 0.05102993936039608
Energy: 0.01197320140433863
Energy: 0.04986938175589768
Energy: 0.010830755116806189

minimum gb energy = 0.010353198127759476 eV
minimum distance =  2.85320486027099 Angstroms
sigma value = 1


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

Energy: 0.7454852569693147
Energy: 0.5914898413302982
Energy: 0.5544759849404758
Energy: 0.5639076487974345
Energy: 0.5841293888155006
Energy: 0.5549077236817458
Energy: 0.7188187478032497
Energy: 0.5310235360640103
Energy: 0.5309633052260677
Energy: 0.5531941094360446
Energy: 0.5311971257773569
Energy: 0.5306919499443055
Energy: 0.7646813496868194
Energy: 0.5308829024993921
Energy: 0.5310886515521556
Energy: 0.5426958560630221
Energy: 0.530877969355629
Energy: 0.530780446751722
Energy: 0.7662979313736508
Energy: 0.5309128209595259
Energy: 0.5399373962186803
Energy: 0.5427838095763878
Energy: 0.5310662571479344
Energy: 0.537579900368381
Energy: 0.7201769411027918
Energy: 0.5351358457137757
Energy: 0.5452084550949183
Energy: 0.5591780303023894
Energy: 0.5324675032794417
Energy: 0.5552588416396169
Energy: 0.7117075392293953
Energy: 0.5537055667904189
Energy: 0.5574474349956238
Energy: 0.5645683996832251
Energy: 0.5516546374034031
Energy: 0.5585829496384702
Energy: 0.7139042537091538
Energy: 0.558297057789562
Energy: 0.5564481361102849
Energy: 0.5621340911376325
Energy: 0.5709066046272294
Energy: 0.5599228302264726
Energy: 0.6835022729034539
Energy: 0.5608016676833613
Energy: 0.5555730704415712
Energy: 0.5572010035977226
Energy: 0.5451025964611026
Energy: 0.5567729812186969
Energy: 0.6154623324114312
Energy: 0.559224584151956
Energy: 0.5582804406403575
Energy: 0.553105852617285
Energy: 0.5640564801897352
Energy: 0.5563521992547791
Energy: 0.615790565813965
Energy: 0.5538347969193248
Energy: 0.5413359733554122
Energy: 0.5332982369874721
Energy: 0.5535512006854878
Energy: 0.5307522989685916
Energy: 0.5890190667709967
Energy: 0.5476562948705644
Energy: 0.5476779736848516
Energy: 0.6318240357435397
Energy: 0.5433789229110013
Energy: 0.5307572107030578
Energy: 0.5327928143165575
Energy: 0.5427658770673076
Energy: 0.5306219352552417
Energy: 0.5327274226901987
Energy: 0.5160394597594248
Energy: 0.5308429674338597
Energy: 0.5309833174498821
Energy: 0.533806207609737
Energy: 0.5309145585724938
Energy: 0.531129125472384
Energy: 0.5346089431864339
Energy: 0.5310167208102797
Energy: 0.5593057880935554
Energy: 0.5451130453322769
Energy: 0.5413154726316921
Energy: 0.5308689675244398
Energy: 0.5379995683798527
Energy: 0.5313904973392826
Energy: 0.5605598360456227
Energy: 0.533658275773753
Energy: 0.5310151636262833
Energy: 0.533142529768306
Energy: 0.5606825968482794
Energy: 0.5310975664057275
Energy: 0.5613900227176537
Energy: 0.5440582977195256
Energy: 0.5444674838147558
Energy: 0.5482028669585592
Energy: 0.5509060543470774
Energy: 0.5443190234825704
Energy: 0.6695671381835214
Energy: 0.5527751220004313
Energy: 0.5558511423609354
Energy: 0.544320311678363
Energy: 0.5541267178037527
Energy: 0.5447794061751371
Energy: 0.6661399027029543
Energy: 0.562101314930215
Energy: 0.5585526222054272
Energy: 0.543032159820947
Energy: 0.5582221852968005
Energy: 0.5600558657278133
Energy: 0.658567008539349
Energy: 0.5569693093655944
Energy: 0.5592345293852927
Energy: 0.5538817645892434
Energy: 0.5496846348451372
Energy: 0.5586269765394032
Energy: 0.6787612570873554
Energy: 0.541838017088324
Energy: 0.5599115369887155
Energy: 0.5548716826013036
Energy: 0.5447193501803383
Energy: 0.5580017945741422
Energy: 0.733632236129978
Energy: 0.5437289728512958
Energy: 0.5478029324693376
Energy: 0.5475842730336258
Energy: 0.5425955047747241
Energy: 0.5388288337926486
Energy: 0.7339920525301243
Energy: 0.5462251230220401
Energy: 0.5443589665751125
Energy: 0.5627915118265799
Energy: 0.546106994069192
Energy: 0.5443261894153161
Energy: 0.745743904604311
Energy: 0.5311446384291554
Energy: 0.5308397760476741
Energy: 0.5477005569230177
Energy: 0.5312146585099253
Energy: 0.5308624498920361

minimum gb energy = 0.5160394597594248 eV
minimum distance =  2.64028485478477 Angstroms
sigma value = 33


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

Energy: 0.9876594713862201
Energy: 0.5382504835879546
Energy: 0.5491685200901864
Energy: 0.5474741641090611
Energy: 0.6486033888109559
Energy: 0.5665595362458731
Energy: 0.694840823857071
Energy: 0.5381988116988832
Energy: 0.5378255315609388
Energy: 0.5512615060820073
Energy: 0.5395305483936274
Energy: 0.5585650010190676
Energy: 0.673308820424805
Energy: 0.5555502931685669
Energy: 0.5447662311036733
Energy: 0.5477764684704087
Energy: 0.5472604162789785
Energy: 0.5554664754822213
Energy: 0.7235692936403523
Energy: 0.554727958103603
Energy: 0.5558763590311355
Energy: 0.5552199552263868
Energy: 0.5604368704642909
Energy: 0.5530522637438332
Energy: 0.6775144045580523
Energy: 0.5565347259982185
Energy: 0.5565660436848524
Energy: 0.5576792764592814
Energy: 0.557285022054145
Energy: 0.555008275399283
Energy: 0.7221154826151855
Energy: 0.5598216830287588
Energy: 0.566361317899817
Energy: 0.5701282194141686
Energy: 0.556301715827199
Energy: 0.5706122182809931
Energy: 0.7225580870980987
Energy: 0.5695714171511614
Energy: 0.5680536399805292
Energy: 0.5664062392420093
Energy: 0.5682915098967292
Energy: 0.5677834427416694
Energy: 0.6916607125270302
Energy: 0.5611509304348248
Energy: 0.5595516356717642
Energy: 0.5779611792951185
Energy: 0.5528413563116995
Energy: 0.5586208483842431
Energy: 0.611171703842383
Energy: 0.5585863830644041
Energy: 0.5672168114360521
Energy: 0.5597165444219552
Energy: 0.5536112298200244
Energy: 0.5671810256818548
Energy: 0.6126488474979813
Energy: 0.5654055424471807
Energy: 0.5540094885014646
Energy: 0.5550474295737965
Energy: 0.5650106196621435
Energy: 0.5535777304524376
Energy: 0.5913290342543103
Energy: 0.5298274051822885
Energy: 0.5293238444610323
Energy: 0.5913896451926249
Energy: 0.529800581627993
Energy: 0.5293591717555037
Energy: 0.5554265754964437
Energy: 0.5298204908680005
Energy: 0.5546208619110901
Energy: 0.554980331163281
Energy: 0.544377969740674
Energy: 0.5541100774290478
Energy: 0.5554400492639893
Energy: 0.5602477970896185
Energy: 0.5539026720656083
Energy: 0.5550844088906708
Energy: 0.5594586286564804
Energy: 0.5537343739758593
Energy: 0.6310631612042525
Energy: 0.5533294914460056
Energy: 0.5537926401175479
Energy: 0.6267963895370212
Energy: 0.5561487722944888
Energy: 0.5617468902020558
Energy: 0.6106692722547528
Energy: 0.575722556246749
Energy: 0.5542395551786804
Energy: 0.5553485674651268
Energy: 0.5708140322281949
Energy: 0.5540273693109165
Energy: 0.6096157800383607
Energy: 0.5698161317988958
Energy: 0.5717552684739994
Energy: 0.5556896676363146
Energy: 0.5683160742673329
Energy: 0.5706315908040556
Energy: 0.6793779089850113
Energy: 0.5673505322338943
Energy: 0.568150977934461
Energy: 0.580635659032614
Energy: 0.567493477796397
Energy: 0.5662386879080279
Energy: 0.6637645226173076
Energy: 0.5709411680380052
Energy: 0.5698615083972348
Energy: 0.5368186453822921
Energy: 0.577438434494853
Energy: 0.558524309696299
Energy: 0.6625219159061624
Energy: 0.5676763880620995
Energy: 0.5686649029824892
Energy: 0.5477097528550606
Energy: 0.5615179538473429
Energy: 0.5698046815814508
Energy: 0.693415158447792
Energy: 0.5587740084118897
Energy: 0.5660674449318237
Energy: 0.5598459210298175
Energy: 0.5561210708561793
Energy: 0.5673719034967045
Energy: 0.7646521741007908
Energy: 0.5611626221535383
Energy: 0.5296850139636494
Energy: 0.5301371642594307
Energy: 0.5606178113820807
Energy: 0.5299323276543705
Energy: 0.718358784619746
Energy: 0.5535883134256436
Energy: 0.553773065153413
Energy: 0.5500272864334469
Energy: 0.5536850514184655
Energy: 0.5537897893645468
Energy: 0.7190777020137402
Energy: 0.5557306275232946
Energy: 0.5537106100695063
Energy: 0.5653507555591084
Energy: 0.5550016235442023
Energy: 0.5537073815579832
Energy: 0.7234352282912869
Energy: 0.6299653415733055
Energy: 0.5541845920321162
Energy: 0.5549577364012406
Energy: 0.6003473180466238
Energy: 0.5623935680603297
Energy: 0.67873497128838
Energy: 0.5546608385975111
Energy: 0.5541227812127423
Energy: 0.5710322802507494
Energy: 0.5560498875517239
Energy: 0.5540913811752193
Energy: 0.7249223632129883
Energy: 0.5673091422885262
Energy: 0.5694016844597407
Energy: 0.5677210127142357
Energy: 0.5666256621189604
Energy: 0.5699266207884299
Energy: 0.726393022422726
Energy: 0.5706996666144625
Energy: 0.5670670304990553
Energy: 0.561799412849959
Energy: 0.5727729959398455
Energy: 0.5673540449539943
Energy: 0.6794708729000931
Energy: 0.5607110102373588
Energy: 0.5585837856283208
Energy: 0.5784214836603876
Energy: 0.5602158966942661
Energy: 0.5690923095405453
Energy: 0.6156416246535565
Energy: 0.5607239052024208
Energy: 0.5600030774028688
Energy: 0.5689109742636713
Energy: 0.5389521815218798
Energy: 0.5698852372063778
Energy: 0.6116080353266878
Energy: 0.5657142115098895
Energy: 0.5663367966559512
Energy: 0.5657305279348964
Energy: 0.5558502674005652
Energy: 0.5662544464183613
Energy: 0.6135421714638696
Energy: 0.5296244531887333
Energy: 0.5296148901507269
Energy: 0.5573118809202765
Energy: 0.5302314266290662
Energy: 0.5306358378678215
Energy: 0.5582869097151222
Energy: 0.5297534702233688
Energy: 0.5295842706602785
Energy: 0.5572896343620906
Energy: 0.5436550816865646
Energy: 0.5527223131941426
Energy: 0.5544145615432701
Energy: 0.5656778867348319
Energy: 0.5531008511954074
Energy: 0.5544599585346541
Energy: 0.5644215230624142
Energy: 0.552483026153048
Energy: 0.5586313201798994
Energy: 0.5532824139797738
Energy: 0.5534198959035272
Energy: 0.5580678114708462
Energy: 0.553563423553353
Energy: 0.5547811295648728
Energy: 0.6113199994767002
Energy: 0.5604732240668822
Energy: 0.5531088613011603
Energy: 0.5546795539553199
Energy: 0.5687756372743498
Energy: 0.5532079158810399
Energy: 0.6077775667770355
Energy: 0.5697925737403451
Energy: 0.5693331278145709
Energy: 0.5695174369127001
Energy: 0.5673323910243714
Energy: 0.569338003891743
Energy: 0.6087410166362488
Energy: 0.5753931689435152
Energy: 0.5689531686472522
Energy: 0.5577687798524762
Energy: 0.5643096129088843
Energy: 0.5742574322910211
Energy: 0.6622832217206045
Energy: 0.5691109726359995
Energy: 0.5710922288583826
Energy: 0.5379680454210123
Energy: 0.5702455172823615
Energy: 0.568857121352149
Energy: 0.6638869327023479
Energy: 0.5760556018222613
Energy: 0.5494175176848111
Energy: 0.5518507216724418
Energy: 0.5551380192450697
Energy: 0.5588877536284672
Energy: 0.6810234700733582
Energy: 0.5586379653918988
Energy: 0.5493577006273483
Energy: 0.553604152107336
Energy: 0.548308465474894
Energy: 0.5683253210289484
Energy: 0.7863091549127297
Energy: 0.537288602110847
Energy: 0.5305571381362838
Energy: 0.5303296434241132
Energy: 0.5371526315628113
Energy: 0.5411558525154778

minimum gb energy = 0.5293238444610323 eV
minimum distance =  2.53283920215305 Angstroms
sigma value = 51


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

Energy: 0.895242042849878
Energy: 0.5930481367940285
Energy: 0.5989006990720861
Energy: 0.7080257133263903
Energy: 0.5794795841963261
Energy: 0.5759725312570175
Energy: 0.6428985951962053
Energy: 0.5488889446476143
Energy: 0.5493509793771104
Energy: 0.5182618932352169
Energy: 0.5492963478856888
Energy: 0.5489852614227922
Energy: 0.6745353981769153
Energy: 0.5488103775657646
Energy: 0.5487886647740727
Energy: 0.5455229321889615
Energy: 0.5493088011148282
Energy: 0.5491685594513186
Energy: 0.7169053403163603
Energy: 0.5512187892831659
Energy: 0.5337318576645534
Energy: 0.5364629350558678
Energy: 0.6024662081727197
Energy: 0.5383325227363811
Energy: 0.6427552438199671
Energy: 0.5494089237363925
Energy: 0.5498499814934286
Energy: 0.5401672088564866
Energy: 0.5517700229767689
Energy: 0.5611523349004734
Energy: 0.6460309667767141
Energy: 0.5463077092880925
Energy: 0.5510445182779914
Energy: 0.5410518830801674
Energy: 0.5457405992313978
Energy: 0.5536205783883388
Energy: 0.6502275165071125
Energy: 0.5554371479012172
Energy: 0.5540593596220279
Energy: 0.5404327592171138
Energy: 0.5528047551284873
Energy: 0.5619231458568741
Energy: 0.6219753185424086
Energy: 0.5236081904902983
Energy: 0.5239106366952259
Energy: 0.5826697957786352
Energy: 0.5407885278607975
Energy: 0.5236699921709097
Energy: 0.5518172974563008
Energy: 0.5622848708199332
Energy: 0.5619555995580373
Energy: 0.5514977287341348
Energy: 0.5491667050491246
Energy: 0.5490542416979064
Energy: 0.5503674105273662
Energy: 0.5495797981216198
Energy: 0.5492919824656195
Energy: 0.5504274637588146
Energy: 0.5316634787712008
Energy: 0.5489990727665734
Energy: 0.5516073370753806
Energy: 0.5513032145674645
Energy: 0.5504744587211178
Energy: 0.5518913029272701
Energy: 0.5325688356691045
Energy: 0.5509739782042055
Energy: 0.5893601384967894
Energy: 0.5499515070635684
Energy: 0.5493936265260194
Energy: 0.5495735503249422
Energy: 0.5527478692696526
Energy: 0.5492392337265335
Energy: 0.5816903127618611
Energy: 0.5487613249217602
Energy: 0.5751679706616782
Energy: 0.5658361660144027
Energy: 0.5663033258081958
Energy: 0.5544910878786606
Energy: 0.5807732084788817
Energy: 0.53697361339128
Energy: 0.5370115241938576
Energy: 0.5500349002215703
Energy: 0.5369904014720356
Energy: 0.55487254582116
Energy: 0.6833794132676848
Energy: 0.5560006543769375
Energy: 0.5751034937718917
Energy: 0.5716502754886476
Energy: 0.5554214779112866
Energy: 0.5491319879088172
Energy: 0.6794008777612389
Energy: 0.5446974070193132
Energy: 0.554429473882653
Energy: 0.5470883023995887
Energy: 0.5536920459497133
Energy: 0.5472694484815861
Energy: 0.6786770482266544
Energy: 0.5541693785830757
Energy: 0.5536436411673893
Energy: 0.5650398348144581
Energy: 0.5673155984509131
Energy: 0.5538747226488074
Energy: 0.7523725819364974
Energy: 0.5490851562245593
Energy: 0.5397784364914756
Energy: 0.5585314522838193
Energy: 0.5492820557697676
Energy: 0.5392472651936953

minimum gb energy = 0.5182618932352169 eV
minimum distance =  2.64473743018657 Angstroms
sigma value = 19


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

Energy: 0.7498986204809757
Energy: 0.5115705708558754
Energy: 0.5219538591623406
Energy: 0.6201858133754293
Energy: 0.5116680609808064
Energy: 0.6225729482350087
Energy: 0.6295789745745347
Energy: 0.5111150183731533
Energy: 0.5122790987138702
Energy: 0.5047747630228351
Energy: 0.511503917698086
Energy: 0.511823816897727
Energy: 0.5924776332306431
Energy: 0.5119880305676991
Energy: 0.5122905787676231
Energy: 0.5255047276375323
Energy: 0.511683640318474
Energy: 0.5718426462216509
Energy: 0.6273736541499068
Energy: 0.5116873936376496
Energy: 0.5121775912127177
Energy: 0.5240127435943103
Energy: 0.553214774708415
Energy: 0.5126191253820617
Energy: 0.5525502069050792
Energy: 0.5114126969403935
Energy: 0.5116118640678368
Energy: 0.5047276241119335
Energy: 0.511667527688237
Energy: 0.5114375524533601
Energy: 0.5924263630916299
Energy: 0.5012061355004495
Energy: 0.5257999957776468
Energy: 0.5253500641446105
Energy: 0.501108833587824
Energy: 0.5249937494590565
Energy: 0.5920715819488719
Energy: 0.525864071258348
Energy: 0.5254566856811667
Energy: 0.5116835211165343
Energy: 0.5048551221316503
Energy: 0.511588441134618
Energy: 0.5521836384507676
Energy: 0.46498178596423884
Energy: 0.5013951739501407
Energy: 0.5525053368184224
Energy: 0.46510385745054056
Energy: 0.5014622751958395
Energy: 0.5112512626988832
Energy: 0.5199644881904023
Energy: 0.5216838111736364
Energy: 0.5110279451815611
Energy: 0.5010360871774598
Energy: 0.5198369426640578
Energy: 0.5127193523623415
Energy: 0.5263558789753394
Energy: 0.5115329716947864
Energy: 0.5116416621145838
Energy: 0.5042549732141615
Energy: 0.5112948835519948
Energy: 0.5105515433578414
Energy: 0.566978812486548
Energy: 0.5676070237018732
Energy: 0.5107652411863368
Energy: 0.5681682701081385
Energy: 0.5122755068493162
Energy: 0.6285558527548354
Energy: 0.524909135576647
Energy: 0.5261935487531101
Energy: 0.5118024292571692
Energy: 0.5255865623289429
Energy: 0.5112621694795026
Energy: 0.5006802668419383
Energy: 0.5111703278200178
Energy: 0.5261650902830183
Energy: 0.5023139749965829
Energy: 0.5120818578400531
Energy: 0.5251170938930689
Energy: 0.6291684499543878
Energy: 0.5255561148703111
Energy: 0.5264782261046118
Energy: 0.5119897738073179
Energy: 0.5701640464341632
Energy: 0.5255035644521308
Energy: 0.7422952354807678
Energy: 0.5122686885031602
Energy: 0.5119250329555652
Energy: 0.5008621692849697
Energy: 0.5115465112289628
Energy: 0.5213448296805924
Energy: 0.6804563750845198
Energy: 0.5113311441400853
Energy: 0.5016372441794136
Energy: 0.48472521432231697
Energy: 0.5108967058050584
Energy: 0.5017519117310564
Energy: 0.628532943603126
Energy: 0.5111952528937233
Energy: 0.5118678836580198
Energy: 0.5050974965624985
Energy: 0.5119014922227276
Energy: 0.511550526971529
Energy: 0.6304651003310419
Energy: 0.5116574211075371
Energy: 0.5120278059684041
Energy: 0.5073126354437204
Energy: 0.5111145765197258
Energy: 0.51227231432396
Energy: 0.6275705527018819
Energy: 0.51188443774917
Energy: 0.5255350157935362
Energy: 0.5073179827444887
Energy: 0.5114416672459222
Energy: 0.5249572662981153
Energy: 0.6288240617221572
Energy: 0.5011103626787377
Energy: 0.5112253646570594
Energy: 0.511923507226223
Energy: 0.5010008066231542
Energy: 0.5252333001429714
Energy: 0.6277725177399484
Energy: 0.5115233463251504
Energy: 0.5117156762913312
Energy: 0.5687773877798458
Energy: 0.5116406648974621
Energy: 0.5253765147568651
Energy: 0.628807631619874
Energy: 0.5252182492049213
Energy: 0.5266884034547474
Energy: 0.5116955315678324
Energy: 0.5258497539515922
Energy: 0.5112765370592793
Energy: 0.5544264050830634
Energy: 0.5012096131083427
Energy: 0.5007907248827813
Energy: 0.5545008465634635
Energy: 0.5015225774886325
Energy: 0.5226488074608325
Energy: 0.5113669809646523
Energy: 0.5267913574804088
Energy: 0.511827851326276
Energy: 0.5114003475556953
Energy: 0.5007405280722993
Energy: 0.5111129384868449
Energy: 0.5114687284255566
Energy: 0.5250412346122086
Energy: 0.5256471650202628
Energy: 0.5115943732444957
Energy: 0.5257718494913064
Energy: 0.5115954015369385
Energy: 0.5533133781302056
Energy: 0.5246415830131859
Energy: 0.5248902191947619
Energy: 0.5537921211854848
Energy: 0.5690911006237301
Energy: 0.5122026482555805
Energy: 0.5918896060892336
Energy: 0.526151159455889
Energy: 0.570892716977252
Energy: 0.5115373257878953
Energy: 0.5044486297310822
Energy: 0.5115205539753837
Energy: 0.5007810857483781
Energy: 0.5092121189857612
Energy: 0.5256127790048211
Energy: 0.5008822415837545
Energy: 0.5254169872895247
Energy: 0.5250830167643693
Energy: 0.551692735558476
Energy: 0.5112028234869586
Energy: 0.5262311418498109
Energy: 0.5120568558642309
Energy: 0.5116014047564421
Energy: 0.5253805435389963
Energy: 0.6822069303675024
Energy: 0.5113749377769307
Energy: 0.5012559165168562
Energy: 0.4649734340078752
Energy: 0.5525467948286845
Energy: 0.5011622411205339

minimum gb energy = 0.4649734340078752 eV
minimum distance =  2.70258767743935 Angstroms
sigma value = 27


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

Energy: 0.6407616303334699
Energy: 0.5295214010593481
Energy: 0.5925786679992978
Energy: 0.5742350470741876
Energy: 0.6848801890410738
Energy: 0.5933676117379448
Energy: 0.6057672714053975
Energy: 0.5296004615994007
Energy: 0.529614155368004
Energy: 0.53664255592152
Energy: 0.5294726270896358
Energy: 0.5297698983458448
Energy: 0.5736097024122572
Energy: 0.530646619347639
Energy: 0.528778569380672
Energy: 0.5086621281921498
Energy: 0.5314119929947292
Energy: 0.5289954053565953
Energy: 0.5758626311992895
Energy: 0.5539223607355671
Energy: 0.5295841425901422
Energy: 0.5114175384180952
Energy: 0.6219322616254414
Energy: 0.5066616725692387
Energy: 0.60709090147104
Energy: 0.5564646629150509
Energy: 0.507043590366118
Energy: 0.5557049675514181
Energy: 0.553284302715448
Energy: 0.49086605485424845
Energy: 0.5303319529302228
Energy: 0.5573305658110167
Energy: 0.5561176563863546
Energy: 0.5303550879245723
Energy: 0.5523840507807807
Energy: 0.4793922042579102
Energy: 0.5303889866016687
Energy: 0.5134970947716407
Energy: 0.5116609250656126
Energy: 0.531043391795321
Energy: 0.5241563438351665
Energy: 0.5289762418458019
Energy: 0.5313501864404836
Energy: 0.5052943402610003
Energy: 0.5052859118017795
Energy: 0.5313972858063453
Energy: 0.5050170408331364
Energy: 0.5282067895852179
Energy: 0.573280461582729
Energy: 0.5707452953747738
Energy: 0.5185781212738575
Energy: 0.5296665538695239
Energy: 0.5042991343716894
Energy: 0.5108709191847352
Energy: 0.5753883309867239
Energy: 0.512031022307594
Energy: 0.5194413110226039
Energy: 0.5351679787410322
Energy: 0.5304215589978638
Energy: 0.4968159306160024
Energy: 0.5732079231498393
Energy: 0.5413290462830715
Energy: 0.5426550464638743
Energy: 0.5312143917578921
Energy: 0.5405677618299969
Energy: 0.5421934155970883
Energy: 0.5353985027676588
Energy: 0.5302218176708938
Energy: 0.5301375767294045
Energy: 0.5229327334172273
Energy: 0.5299461706665367
Energy: 0.530834804763938

minimum gb energy = 0.4793922042579102 eV
minimum distance =  2.62948219245919 Angstroms
sigma value = 9


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

Energy: 0.9557206032414111
Energy: 0.9577773770733261
Energy: 0.5300496202133579
Energy: 0.5724201166631309
Energy: 1.0085193278135092
Energy: 0.572154226479175
Energy: 0.497288520730311
Energy: 0.48910638032181547
Energy: 0.4893962492480622
Energy: 0.5123750931519789
Energy: 0.48909200015603094
Energy: 0.4897328457724359
Energy: 0.4979156138138828
Energy: 0.4786605122773425
Energy: 0.4786436821104523
Energy: 0.46461512725530285
Energy: 0.48033428338551587
Energy: 0.47862881090194903
Energy: 0.5005955095358972
Energy: 0.4911207611164996
Energy: 0.4928471056848033
Energy: 0.4646239084011814
Energy: 0.53276078995813
Energy: 0.49545681433066924
Energy: 0.5522657234130922
Energy: 0.5527538473716924
Energy: 0.5184439370597085
Energy: 0.5522703291924596
Energy: 0.5153383975119281
Energy: 0.5256898568656884
Energy: 0.5079000404885413
Energy: 0.5777082826678961
Energy: 0.5228543468910503
Energy: 0.5078985998211987
Energy: 0.581366366162785
Energy: 0.5127253519346856
Energy: 0.5157660163676264
Energy: 0.5054707677299575
Energy: 0.5174356927026532
Energy: 0.5165921007063403
Energy: 0.49212314155957737
Energy: 0.516508296394225
Energy: 0.49950698734672183
Energy: 0.5372086921983957
Energy: 0.5026485491092796
Energy: 0.4994869965049239
Energy: 0.5386673743684198
Energy: 0.49950353237632317
Energy: 0.528584558700324
Energy: 0.5175363004100352
Energy: 0.5404157722906393
Energy: 0.540229929234026
Energy: 0.5090479293786178
Energy: 0.4848498762861942
Energy: 0.4624299104797835
Energy: 0.5114687451023173
Energy: 0.5012343587692878
Energy: 0.42761886330234566
Energy: 0.5288098170971054
Energy: 0.4762566192802954
Energy: 0.46715609693480936
Energy: 0.49898703282925266
Energy: 0.4988995970973709
Energy: 0.427395951265397
Energy: 0.4993367347550873
Energy: 0.49881574018225794
Energy: 0.5501682766315025
Energy: 0.508224863623775
Energy: 0.5081582038873785
Energy: 0.5094288667093527
Energy: 0.5091484635955322
Energy: 0.5079970395947687
Energy: 0.8434759403225379
Energy: 0.4918072100792855
Energy: 0.604001856377426
Energy: 0.5518193712768483
Energy: 0.4918661586953694
Energy: 0.5498243300187767
Energy: 0.5314465580644439
Energy: 0.5004388290235421
Energy: 0.500637119268468
Energy: 0.5183262392570954
Energy: 0.5005312804072477
Energy: 0.5044733262272668
Energy: 0.48040525620850105
Energy: 0.5011143920958617
Energy: 0.49996802043281147
Energy: 0.48033484536382415
Energy: 0.5004833147780263
Energy: 0.5047332875456801
Energy: 0.48017509850418
Energy: 0.5101606114489007
Energy: 0.47882280883812206
Energy: 0.47945670364172793
Energy: 0.4943923970418151
Energy: 0.47872460770434655
Energy: 0.48922641430147085
Energy: 0.5675084512297506
Energy: 0.5011194704644254
Energy: 0.49116465983443053
Energy: 0.49808486624492243
Energy: 0.48870337631153815
Energy: 0.5433958529286065
Energy: 0.500716503356916
Energy: 0.5200961521683131
Energy: 0.5434262376727409
Energy: 0.5003565041614756
Energy: 0.520041621820185
Energy: 0.49818457530050564
Energy: 0.4957625060228959
Energy: 0.4591926739983264
Energy: 0.4808492722464549
Energy: 0.49289237256419005
Energy: 0.4789040064588637
Energy: 0.5000775373487283
Energy: 0.4798821478034814
Energy: 0.47915133024477075
Energy: 0.4793961469952386
Energy: 0.47982330957676905
Energy: 0.478859675050513
Energy: 0.4975393435750159
Energy: 0.4806965230069986
Energy: 0.4791417572869188
Energy: 0.4800362756894806
Energy: 0.4807847007024758
Energy: 0.4852187706691922
Energy: 0.4950620161152021
Energy: 0.4889956072482071
Energy: 0.5126192056692852
Energy: 0.4925941545941132
Energy: 0.5435620140653388
Energy: 0.5132201777161143
Energy: 0.5984457196624847
Energy: 0.48928687662394016
Energy: 0.48878817538352165
Energy: 0.511617226272684
Energy: 0.48943501734138445
Energy: 0.5055111693893106
Energy: 0.4978775537885462
Energy: 0.47838683095017687
Energy: 0.47852815184788977
Energy: 0.5010492297436547
Energy: 0.48177957300395846
Energy: 0.4787039207950569
Energy: 0.6331117800776026
Energy: 0.47935723066758074
Energy: 0.4782648779478393
Energy: 0.5560882130275918
Energy: 0.4788759167308345
Energy: 0.5554876854355962
Energy: 0.5448698410990895
Energy: 0.48120823486499753
Energy: 0.4774770072107106
Energy: 0.499949005868867
Energy: 0.5192472124868187
Energy: 0.5030993770452208
Energy: 0.554344985981285
Energy: 0.6060366711430187
Energy: 0.6058830660445254
Energy: 0.5544111351719702
Energy: 0.6054940631163337
Energy: 0.5122579782847528
Energy: 0.5093579920644132
Energy: 0.5043153192530649
Energy: 0.5077525730954846
Energy: 0.5101554263416214
Energy: 0.4917097296302336
Energy: 0.5097306554883871
Energy: 0.5001661680376762
Energy: 0.5166826729654915
Energy: 0.5054191101772579
Energy: 0.5006227182781859
Energy: 0.5043457638114303
Energy: 0.49969850370335517
Energy: 0.5295255992157304
Energy: 0.5367772038876121
Energy: 0.5024374224043019
Energy: 0.5293960787501963
Energy: 0.5383949335691506
Energy: 0.501543613887783
Energy: 0.4592230265990751
Energy: 0.4854551389824033
Energy: 0.48575790274173625
Energy: 0.5024525946096744
Energy: 0.49409334879032774
Energy: 0.5261418067413908
Energy: 0.7307523685091316
Energy: 0.4990567402265804
Energy: 0.49911310991595986
Energy: 0.4802763218341976
Energy: 0.4989500951555784
Energy: 0.4762778207420483
Energy: 0.5712377260608676
Energy: 0.5100518465438392
Energy: 0.5096799491656195
Energy: 0.49133972557846917
Energy: 0.5103658328337404
Energy: 0.5094678045029706
Energy: 0.48053133595768505
Energy: 0.508396474836481
Energy: 0.5082550751316944
Energy: 0.4861507331351418
Energy: 0.5086616765160566
Energy: 0.5008339029193145
Energy: 0.5335094290584889
Energy: 0.49870497649854906
Energy: 0.49823941219857276
Energy: 0.5181735789111425
Energy: 0.4998289366185631
Energy: 0.5431725326028009
Energy: 0.5328321043328239
Energy: 0.4959449705069242
Energy: 0.4964530445125685
Energy: 0.533013583869108
Energy: 0.49633587682180885
Energy: 0.49375290501105373
Energy: 0.47917760853431474
Energy: 0.47814490517854263
Energy: 0.4682206067767008
Energy: 0.4799297976526992
Energy: 0.4649630892743111
Energy: 0.4787766605902941
Energy: 0.4891423002829831
Energy: 0.5128995358828968
Energy: 0.4900446700522615
Energy: 0.4892086858657481
Energy: 0.5045749778745325
Energy: 0.48947376820219896
Energy: 0.48912657801936255
Energy: 0.549963968971711
Energy: 0.5506442928441465
Energy: 0.4891042372293404
Energy: 0.5496400863926113
Energy: 0.5466594562134479
Energy: 0.545655213748338
Energy: 0.47931681220018596
Energy: 0.4780523979117913
Energy: 0.4890263457025209
Energy: 0.5086148997849589
Energy: 0.48836574971093
Energy: 0.4983181874180882
Energy: 0.47939458723677864
Energy: 0.49589071115018335
Energy: 0.4812560242889833
Energy: 0.4791526822202395
Energy: 0.4793586424190251
Energy: 0.497268094432059
Energy: 0.4806061539506697
Energy: 0.4797354826727694
Energy: 0.4806767723292505
Energy: 0.4799815532306886
Energy: 0.48446496680150375
Energy: 0.5989848117085081
Energy: 0.49126691815423623
Energy: 0.48903603342657315
Energy: 0.5234805986115829
Energy: 0.48922787449903016
Energy: 0.5402719565396421

minimum gb energy = 0.427395951265397 eV
minimum distance =  2.57618885395272 Angstroms
sigma value = 57


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

Energy: 0.27626855683281515
Energy: 0.29663014428793993
Energy: 0.2819951657228385
Energy: 0.27781959398490963
Energy: 0.2965816745339208
Energy: 0.2766826350432238
Energy: 0.3218188592290303
Energy: 0.28272179680756276
Energy: 0.28238546265571385
Energy: 0.2976045867705379
Energy: 0.29848440845739405
Energy: 0.2825704073984542
Energy: 0.3205376945154958
Energy: 0.2966073602812786
Energy: 0.29689951253689156
Energy: 0.2984443737879256
Energy: 0.29638596888361246
Energy: 0.29675723485962147
Energy: 0.32043585078492676
Energy: 0.29653314236530703
Energy: 0.2964409738782946
Energy: 0.2988643194903835
Energy: 0.3208784738246697
Energy: 0.2965760063667174
Energy: 0.32071417276115244
Energy: 0.27672342909138564
Energy: 0.29156108460252655
Energy: 0.3213914717590801
Energy: 0.2765023721327729
Energy: 0.30218225729949405
Energy: 0.2964607564630032
Energy: 0.27644380989675693
Energy: 0.27682379928491585
Energy: 0.28352779925771493
Energy: 0.2764609093895663
Energy: 0.2914027051390694
Energy: 0.29653800720312073
Energy: 0.28268582890865734
Energy: 0.28280967817427777
Energy: 0.29690584958659966
Energy: 0.29648375134860955
Energy: 0.28283365942722755
Energy: 0.2962659631412819
Energy: 0.32051400587409523
Energy: 0.32113629240200603
Energy: 0.2963547419545671
Energy: 0.32060258139673614
Energy: 0.2966476759565649
Energy: 0.32042837276286873
Energy: 0.3024458077556406
Energy: 0.3034396371733533
Energy: 0.3213425604714221
Energy: 0.2979274472467411
Energy: 0.2967860040930487
Energy: 0.2763487512297271
Energy: 0.2966664436131784
Energy: 0.29215645195158285
Energy: 0.2764036610360483
Energy: 0.2979407538877855
Energy: 0.2920223285996238
Energy: 0.2764297492896901
Energy: 0.2823741994122222
Energy: 0.2824376580196417
Energy: 0.2764550539483985
Energy: 0.2838222192913397
Energy: 0.293990137436467
Energy: 0.3221515340450109
Energy: 0.29707798982195455
Energy: 0.30204234613731024
Energy: 0.3219105618635378
Energy: 0.2973643770683674
Energy: 0.3021948482075496
Energy: 0.3197890712453595
Energy: 0.320216548875588
Energy: 0.32038793802698273
Energy: 0.3203254411735231
Energy: 0.31997208816594935
Energy: 0.32039272309068556
Energy: 0.32103153245842303
Energy: 0.296961132762645
Energy: 0.3029776006988971
Energy: 0.3215948220570871
Energy: 0.29831534855439046
Energy: 0.3041590986721222
Energy: 0.3202807752473108
Energy: 0.27643481997098057
Energy: 0.276550481296606
Energy: 0.2990177689353238
Energy: 0.27947596581197126
Energy: 0.27722553772421116
Energy: 0.29880301184610214
Energy: 0.2971714769612195
Energy: 0.2826076356366437
Energy: 0.2988685939802649
Energy: 0.2765465959067017
Energy: 0.2822251042563517
Energy: 0.2964684322736688
Energy: 0.3042426096097816
Energy: 0.299333609777684
Energy: 0.29649972715919426
Energy: 0.29839604858637336
Energy: 0.29704602680319353
Energy: 0.3215541733513155
Energy: 0.320892550087395
Energy: 0.29663055877866856
Energy: 0.3202991966058807
Energy: 0.2984072103524644
Energy: 0.2965556353542316
Energy: 0.2765189861590062
Energy: 0.28285060216088614
Energy: 0.2828130783722159
Energy: 0.27653012639973357
Energy: 0.3216718306194647
Energy: 0.3027108274633654

minimum gb energy = 0.27626855683281515 eV
minimum distance =  2.71326951998097 Angstroms
sigma value = 11


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

Energy: 0.7939494824386287
Energy: 0.5689943989042334
Energy: 0.5187833502306985
Energy: 0.5703112713703206
Energy: 0.5737432999484428
Energy: 0.7384448919248167
Energy: 0.44738408497764115
Energy: 0.4408978115887399
Energy: 0.4512250370000924
Energy: 0.44018168867338164
Energy: 0.44817601742053365
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Energy: 0.44654664870084093
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Energy: 0.4454747552927691
Energy: 0.4476682455107927
Energy: 0.452448944521414
Energy: 0.44208894187145514
Energy: 0.4464386640054812
Energy: 0.45617343386135883
Energy: 0.46806627941768325
Energy: 0.4473050839822847
Energy: 0.4490172498203411
Energy: 0.4494748630758877
Energy: 0.4476454063536396
Energy: 0.45021730318845116
Energy: 0.43380119850215837
Energy: 0.4477863521855103
Energy: 0.4770516186882086
Energy: 0.45205386829594585
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Energy: 0.5626729132512138
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Energy: 0.5619463603796558
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Energy: 0.4792343987805558
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Energy: 0.47979850293371734
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Energy: 0.4483061234326986
Energy: 0.4755986244003025
Energy: 0.5505706313787044
Energy: 0.5070007933348956
Energy: 0.4757264735670998
Energy: 0.5504929355092678
Energy: 0.47583596258791155
Energy: 0.6298843883892645
Energy: 0.48023474913309805
Energy: 0.42871200332017706
Energy: 0.5090150434823464
Energy: 0.4783371230359983
Energy: 0.4274349320260593
Energy: 0.5979668127216375
Energy: 0.5726761440767849
Energy: 0.5195405275765445
Energy: 0.5369325140521326
Energy: 0.6031478283718968
Energy: 0.48506065857844305
Energy: 0.5258698688139436
Energy: 0.47018628200166307
Energy: 0.44058246672109175
Energy: 0.47010790488976867
Energy: 0.4757505614073527
Energy: 0.42005758785720143
Energy: 0.5157263533625122
Energy: 0.46957640190419664
Energy: 0.4368526030176101
Energy: 0.45030950778724915
Energy: 0.4783746638880378
Energy: 0.4624436491154815
Energy: 0.53167169614122
Energy: 0.5552298539134135
Energy: 0.5153449979833317
Energy: 0.5037175403989208
Energy: 0.5175499244380926
Energy: 0.5148954930058657
Energy: 0.6299089210245049
Energy: 0.47692230921256995
Energy: 0.42871676846776663
Energy: 0.44945322968686724
Energy: 0.48245180645424424
Energy: 0.43008850602578946
Energy: 0.44931276226312267
Energy: 0.5560150408552863
Energy: 0.5192914799250091
Energy: 0.4486945514408501
Energy: 0.5559488436933389
Energy: 0.503039217461271
Energy: 0.45591000859670794
Energy: 0.4342909376841416
Energy: 0.4283816526921051
Energy: 0.4561159308570776
Energy: 0.4346688836085152
Energy: 0.44709077202246117
Energy: 0.44810842779026516
Energy: 0.44436860644841436
Energy: 0.44379200093268106
Energy: 0.4484622212399388
Energy: 0.44378738486827446
Energy: 0.44476371950514465
Energy: 0.46737810331214213
Energy: 0.4433596740306272
Energy: 0.4424244397316849
Energy: 0.45019499454580436
Energy: 0.4480700846291734
Energy: 0.4637925384893066
Energy: 0.6203905616436458
Energy: 0.4557845212516988
Energy: 0.4511569976630573
Energy: 0.4840729232111648
Energy: 0.44795753505538216
Energy: 0.42884187151670694

minimum gb energy = 0.42005758785720143 eV
minimum distance =  2.59784660125998 Angstroms
sigma value = 41


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

Energy: 0.7242808907424408
Energy: 0.5567290388959193
Energy: 0.5392164618132017
Energy: 0.5369451312188742
Energy: 0.5474123886912349
Energy: 0.5514448703761947
Energy: 0.47979035429762623
Energy: 0.46974840805207707
Energy: 0.45751099568157255
Energy: 0.46712118851850953
Energy: 0.48034239299580905
Energy: 0.4552493160427206
Energy: 0.48154699782075083
Energy: 0.46997272121479616
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Energy: 0.4547991880477117
Energy: 0.4805452682423171
Energy: 0.4629831091963163
Energy: 0.445389049854213
Energy: 0.4812526693677772
Energy: 0.47029556429397434
Energy: 0.45364731744044107
Energy: 0.48182119978191307
Energy: 0.4623243303017785
Energy: 0.44946594635791426
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Energy: 0.47307687442815916
Energy: 0.4473840449454182
Energy: 0.5463333250438915
Energy: 0.5011666236452135
Energy: 0.5014239344861816
Energy: 0.4920383433960559
Energy: 0.6176972845867356
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Energy: 0.45595944129030425
Energy: 0.45723219010008914
Energy: 0.48022203280986075
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Energy: 0.5110301311737101
Energy: 0.4875705572724575
Energy: 0.4712626470606403
Energy: 0.5115372820781376
Energy: 0.48769790836168037
Energy: 0.4412641768966525
Energy: 0.5437951992279684
Energy: 0.474691955481548
Energy: 0.4568013674686749
Energy: 0.4718599768677735
Energy: 0.47459453455486944
Energy: 0.44658748640652546
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Energy: 0.4752233250320962
Energy: 0.4808618551059409
Energy: 0.5366589915890727
Energy: 0.47519014381434593
Energy: 0.45011735471638026
Energy: 0.5439492832831677
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Energy: 0.47954612779233485
Energy: 0.49082444519555474
Energy: 0.4463691863758872
Energy: 0.6364840626614513
Energy: 0.43874627763540924
Energy: 0.4291939547753659
Energy: 0.5192027148409033
Energy: 0.44875386073592877
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Energy: 0.4754338788725992
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Energy: 0.4860340918937971
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Energy: 0.46300037865359017
Energy: 0.4841179671926362
Energy: 0.4805221189932961
Energy: 0.45711443053775197
Energy: 0.7117077912832664
Energy: 0.6154012928003735
Energy: 0.45076645331622167
Energy: 0.5298194751031136
Energy: 0.5737160420885121
Energy: 0.5407569053155984
Energy: 0.6039174879466903
Energy: 0.48550869142523395
Energy: 0.4477813440387503
Energy: 0.49708008660498154
Energy: 0.481382221729264
Energy: 0.4291910620279933
Energy: 0.48154917164241223
Energy: 0.4690060513161588
Energy: 0.47063481570287136
Energy: 0.4700250381010735
Energy: 0.4689619151706296
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Energy: 0.4825856083595481
Energy: 0.46421980767777016
Energy: 0.45376820021885356
Energy: 0.48073041428715735
Energy: 0.46899672974496553
Energy: 0.4711839552851261
Energy: 0.4815257956745574
Energy: 0.456179399884528
Energy: 0.4566102008785378
Energy: 0.4815446072035015
Energy: 0.4751903305376793
Energy: 0.44714240499819236
Energy: 0.602548353997496
Energy: 0.5769858487500555
Energy: 0.5002025541562468
Energy: 0.5613291844925512
Energy: 0.5760688198634976
Energy: 0.5010993223467187
Energy: 0.5451536346390287
Energy: 0.45715705020135045
Energy: 0.45676345760324477
Energy: 0.4813100661164096
Energy: 0.47752653105217546
Energy: 0.4553193625381372
Energy: 0.5188860761320226
Energy: 0.5009245889775455
Energy: 0.49195879958593913
Energy: 0.5112911704200938
Energy: 0.5015040151155873
Energy: 0.4412218990027386
Energy: 0.5432351288670555
Energy: 0.47484714074003087
Energy: 0.45552324182794723
Energy: 0.4698595019861688
Energy: 0.4741831612926177
Energy: 0.4453213523443023
Energy: 0.5443556898368074
Energy: 0.47970579711990285
Energy: 0.4673486296581665
Energy: 0.47995453498740165
Energy: 0.47498524755700733
Energy: 0.45095225353700175
Energy: 0.6150844153554212
Energy: 0.474940854408969
Energy: 0.4658740779104469
Energy: 0.5366627160553525
Energy: 0.6354566227877348
Energy: 0.4458240270413059
Energy: 0.6123846171216042
Energy: 0.4385331431055108
Energy: 0.4622575764077003
Energy: 0.4908463446300744
Energy: 0.4455696335379115
Energy: 0.45027212198026956
Energy: 0.4870163830803167
Energy: 0.5314675890804761
Energy: 0.5216716006668825
Energy: 0.4870476777855967
Energy: 0.5314304853071354
Energy: 0.5214869810180641
Energy: 0.4754214174964974
Energy: 0.450424102462786
Energy: 0.44998340576466594
Energy: 0.47396526692394886
Energy: 0.4659314266396114
Energy: 0.4502238755895765
Energy: 0.4777823195630685
Energy: 0.48153444855583927
Energy: 0.4736933605959748
Energy: 0.47793957356629235
Energy: 0.48100930291177174
Energy: 0.4789201648622288
Energy: 0.4801529513472479
Energy: 0.4702505379617419
Energy: 0.44636514197680877
Energy: 0.48013956257129187
Energy: 0.48057290745114983
Energy: 0.45621702092128225
Energy: 0.7125006098219211
Energy: 0.4855579277377464
Energy: 0.42930223216226265
Energy: 0.44726094093567836
Energy: 0.4818586061644023
Energy: 0.4305646888659946

minimum gb energy = 0.4291910620279933 eV
minimum distance =  2.60540088668601 Angstroms
sigma value = 33


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

Energy: 0.6040324091582154
Energy: 0.6083102242084215
Energy: 0.5360256104623712
Energy: 0.5885930806844615
Energy: 0.6048424276877514
Energy: 0.5329852238192913
Energy: 0.5385265345135418
Energy: 0.48251865416158246
Energy: 0.4845982044815217
Energy: 0.4829508336976627
Energy: 0.5034660661701769
Energy: 0.49349951474423037
Energy: 0.537151396123621
Energy: 0.49390940461535104
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Energy: 0.541295943515995
Energy: 0.49250535075395097
Energy: 0.4939010193671743
Energy: 0.535894895479077
Energy: 0.4823033908452446
Energy: 0.4968200480533085
Energy: 0.5403870326992054
Energy: 0.49890922430420365
Energy: 0.4936425850874448
Energy: 0.5364833494878529
Energy: 0.4796654049633131
Energy: 0.49796773117280985
Energy: 0.5402750214923042
Energy: 0.4836039998499293
Energy: 0.4950552421321862
Energy: 0.6007772595641272
Energy: 0.47554659609747424
Energy: 0.4785085387327272
Energy: 0.5822206651385876
Energy: 0.5458235997605904
Energy: 0.4770473409411617
Energy: 0.6359790629690679
Energy: 0.5110017402635515
Energy: 0.5014038914959
Energy: 0.5443152540721029
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Energy: 0.5003880499933789
Energy: 0.6047834286303773
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Energy: 0.5535510076492217
Energy: 0.5147020959778105
Energy: 0.5355596485484021
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Energy: 0.7090908117537658
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Energy: 0.5462302624177222
Energy: 0.6252451484412084
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Energy: 0.5463402247077138
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Energy: 0.5344470385842826
Energy: 0.5029054399659996
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Energy: 0.48923254069876415
Energy: 0.4672773102008482
Energy: 0.5133467939427686
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Energy: 0.5839741867920346
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Energy: 0.48729004675056203
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Energy: 0.613117902151657
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Energy: 0.5043358775778451
Energy: 0.4929905591014953
Energy: 0.8336772950721058
Energy: 0.5842833937110747
Energy: 0.4577446843769274
Energy: 0.5037015088011016
Energy: 0.5860803492429955
Energy: 0.47256159468922293

minimum gb energy = 0.4572366605737343 eV
minimum distance =  2.62197163856353 Angstroms
sigma value = 67


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

Energy: 0.650663109313312
Energy: 0.6997468563942669
Energy: 0.42442940167964843
Energy: 0.6527102131462476
Energy: 0.6979731003535429
Energy: 0.4211653717962573
Energy: 0.5490160998314487
Energy: 0.40272270788413284
Energy: 0.4014995001872627
Energy: 0.4005530877042151
Energy: 0.4011595752497111
Energy: 0.40135868409637454
Energy: 0.5303926955157511
Energy: 0.38502207854512904
Energy: 0.40105790968576016
Energy: 0.5294427524378065
Energy: 0.3850232138419974
Energy: 0.4008529951061908
Energy: 0.5016421630620426
Energy: 0.4011458819437287
Energy: 0.4010174154702095
Energy: 0.5019962740344955
Energy: 0.40098817973795475
Energy: 0.40088470717147867
Energy: 0.5017939307705807
Energy: 0.4009439103070851
Energy: 0.401079677134557
Energy: 0.5017491852668589
Energy: 0.400935845853938
Energy: 0.40100180511569655
Energy: 0.5018762082891854
Energy: 0.3996996282061434
Energy: 0.40102566029472925
Energy: 0.5019231613173165
Energy: 0.5289682030789845
Energy: 0.5022277128120277
Energy: 0.6645254796659126
Energy: 0.403346765159281
Energy: 0.4021914697554413
Energy: 0.514625796815213
Energy: 0.401121157153564
Energy: 0.40220121652427626

minimum gb energy = 0.38502207854512904 eV
minimum distance =  2.72979958720925 Angstroms
sigma value = 3


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

Energy: 0.7794484761345797
Energy: 0.7350403923704819
Energy: 0.5588963347398888
Energy: 0.4860336205758091
Energy: 0.8651484248333983
Energy: 0.5581467177583954
Energy: 0.46628891183669924
Energy: 0.5457748049182769
Energy: 0.46714989334897955
Energy: 0.5301680910517214
Energy: 0.5078162905246906
Energy: 0.46889895962322375
Energy: 0.5968765511441984
Energy: 0.4615400014552535
Energy: 0.4620629129392016
Energy: 0.5973114133766838
Energy: 0.46167475816287373
Energy: 0.46605597696469375
Energy: 0.4698281723102247
Energy: 0.4662511985845576
Energy: 0.46612242939432685
Energy: 0.4701938259923047
Energy: 0.4618239933671083
Energy: 0.46593287305394815
Energy: 0.4726326761755159
Energy: 0.46999447518351595
Energy: 0.46756528673902986
Energy: 0.4730996346477569
Energy: 0.47428184622054637
Energy: 0.466282779023456
Energy: 0.46755413017347475
Energy: 0.5040540080104613
Energy: 0.4678969149037712
Energy: 0.4677165486182682
Energy: 0.4750372484136966
Energy: 0.4677492611527009
Energy: 0.4663277312099447
Energy: 0.5065448634844877
Energy: 0.5097573784510883
Energy: 0.46679632914775304
Energy: 0.5511430686716673
Energy: 0.5050575346237893
Energy: 0.7339202512560964
Energy: 0.5358454244776621
Energy: 0.5348746693113585
Energy: 0.4680589745852542
Energy: 0.6037151310098366
Energy: 0.5248686947465598
Energy: 0.4676637611008262
Energy: 0.5080236426473523
Energy: 0.5035222064972874
Energy: 0.4679122003910304
Energy: 0.4699962919841469
Energy: 0.4732574523319591
Energy: 0.6287383403003096
Energy: 0.4685917945630113
Energy: 0.4687851888709062
Energy: 0.6293077029585051
Energy: 0.4689097347904599
Energy: 0.5405552674308963
Energy: 0.5465965854148814
Energy: 0.4621327487736013
Energy: 0.46167303207992916
Energy: 0.5544142463627151
Energy: 0.5562133565122086
Energy: 0.5125743014803116
Energy: 0.5539930440258404
Energy: 0.5671694519312633
Energy: 0.4674088386720184
Energy: 0.5061374705873479
Energy: 0.46568843089870704
Energy: 0.46766919191670275
Energy: 0.5917174778655276
Energy: 0.46632826531618604
Energy: 0.46584016047683624
Energy: 0.4663145067448976
Energy: 0.46620017686182974
Energy: 0.46618487388480456
Energy: 0.5493262316127513
Energy: 0.4688781740213565
Energy: 0.4661323327025631
Energy: 0.5049657230294562
Energy: 0.4687348241916902
Energy: 0.46618783129631486
Energy: 0.6415933337839287
Energy: 0.46595711521853
Energy: 0.4664865589061325
Energy: 0.4738605018233206
Energy: 0.4658717463210722
Energy: 0.5348202364251888
Energy: 0.5496849898720543
Energy: 0.4698946667436417
Energy: 0.46652302025734943
Energy: 0.5060031108959293
Energy: 0.5294281373509176
Energy: 0.46657847641446876
Energy: 0.6719299866970514
Energy: 0.5054200680602434
Energy: 0.5057315495649766
Energy: 0.6707128748170528
Energy: 0.5056137841405833
Energy: 0.6662332720843549
Energy: 0.5086770329863648
Energy: 0.4732917038661973
Energy: 0.4672306254287698
Energy: 0.5086975408841504
Energy: 0.5060026449158141
Energy: 0.5177440950500006
Energy: 0.5399870586364578
Energy: 0.5844109844641294
Energy: 0.46623390366141726
Energy: 0.46848274910069804
Energy: 0.6009163991598867
Energy: 0.4685571539674452
Energy: 0.6850897302857767
Energy: 0.46623489704715654
Energy: 0.46643443438479865
Energy: 0.468797980617337
Energy: 0.5107037571835361
Energy: 0.468874463736066
Energy: 0.5155823498884332
Energy: 0.4682536730356898
Energy: 0.5084901025043156
Energy: 0.4681206468489125
Energy: 0.4675613459197153
Energy: 0.4831665746164138
Energy: 0.5051658960299077
Energy: 0.5385445843568404
Energy: 0.5456090971176104
Energy: 0.46796630282922563
Energy: 0.46948245452818976
Energy: 0.5067158998216298
Energy: 0.509013581075768
Energy: 0.5540267811383294
Energy: 0.4675500986670063
Energy: 0.5098597762825261
Energy: 0.5076986309865392
Energy: 0.4686796699322526
Energy: 0.5062119013613242
Energy: 0.4659836035688261
Energy: 0.5016418450527048
Energy: 0.5063025848375104
Energy: 0.46569459296359933
Energy: 0.5061946136293003
Energy: 0.47024293574525783
Energy: 0.46633287056722905
Energy: 0.46674844411365296
Energy: 0.47091532028946953
Energy: 0.507272921555742
Energy: 0.4663493859904363
Energy: 0.7838089710717991
Energy: 0.6117905094213159
Energy: 0.6067477190406407
Energy: 0.461713856160233
Energy: 0.6570944816645462
Energy: 0.4614157342250848
Energy: 0.4703437211072339
Energy: 0.5788594828089528
Energy: 0.5526065641892176
Energy: 0.4614436627626321
Energy: 0.5372311205934469
Energy: 0.4613310693484508
Energy: 0.4717453476879181
Energy: 0.46677735216272354
Energy: 0.4663379031053732
Energy: 0.471231000037451
Energy: 0.5105099069889103
Energy: 0.46629769769816215
Energy: 0.4661789605695044
Energy: 0.46192169057591476
Energy: 0.4618595318761719
Energy: 0.4661301943082778
Energy: 0.462196093507942
Energy: 0.46635472404883915
Energy: 0.46673044256591656
Energy: 0.4685311972311583
Energy: 0.46646296479648863
Energy: 0.46755624070481916
Energy: 0.512141780843579
Energy: 0.46588561957388636
Energy: 0.46573260474990125
Energy: 0.5299201516755386
Energy: 0.46733647160978437
Energy: 0.46588890538007416
Energy: 0.5048874867741256
Energy: 0.4662066956169911
Energy: 0.47072807208762996
Energy: 0.4734349771779078
Energy: 0.4726663454333062
Energy: 0.4715044590253241
Energy: 0.50732302042251
Energy: 0.5102158800536837
Energy: 0.7352533834379448
Energy: 0.5359378227763949
Energy: 0.5359679532697232
Energy: 0.46600133940348104
Energy: 0.5776551920639602
Energy: 0.5057431139582991
Energy: 0.5058701455487045
Energy: 0.5463913111920636
Energy: 0.5117478762527335
Energy: 0.5054464043261331
Energy: 0.5332727490705169
Energy: 0.5107031509392405
Energy: 0.4656289895982189
Energy: 0.4618947004008678
Energy: 0.46199181449989263
Energy: 0.4656757029433841
Energy: 0.5565012791125824
Energy: 0.5125618134325333
Energy: 0.5874426143838575
Energy: 0.4686340519626885
Energy: 0.46880508368992113
Energy: 0.5506362506216808
Energy: 0.46892723131099906
Energy: 0.5404338976818308
Energy: 0.5489258770659214
Energy: 0.508285154575422
Energy: 0.503884387987141
Energy: 0.5499330144517676
Energy: 0.4706993447603034
Energy: 0.4727055575614189
Energy: 0.5426066694064078
Energy: 0.46612614202893576
Energy: 0.46614246883015714
Energy: 0.4668190236223524
Energy: 0.46595484061920167
Energy: 0.46727387919498753
Energy: 0.55104332016413
Energy: 0.4692023304245743
Energy: 0.4659134329967624
Energy: 0.506103446270574
Energy: 0.46938539334759255
Energy: 0.4658050417373518
Energy: 0.6400470818453643
Energy: 0.4661446486748808
Energy: 0.46639378719735713
Energy: 0.4744941944969795
Energy: 0.4661854106527654
Energy: 0.46645379658381614
Energy: 0.5504197475010236
Energy: 0.5767197955478033
Energy: 0.46626491167878226
Energy: 0.5050311163529062
Energy: 0.5463322421533099
Energy: 0.4665397445644798
Energy: 0.5493023486340851
Energy: 0.4736312464813929
Energy: 0.5105948914057533
Energy: 0.5491954888043056
Energy: 0.4668165411899725
Energy: 0.5209044870557393
Energy: 0.5396905801045768
Energy: 0.505485925075011
Energy: 0.5055428482661896
Energy: 0.5397609789379
Energy: 0.5052627940807142
Energy: 0.5094579406576366
Energy: 0.509988902899665
Energy: 0.46975175553327797
Energy: 0.46642979299562215
Energy: 0.4670529035681148
Energy: 0.47034850948011137
Energy: 0.4667146717779656
Energy: 0.6881999893998375
Energy: 0.5047895347704446
Energy: 0.5039735749187113
Energy: 0.4838828606533468
Energy: 0.5046609175822767
Energy: 0.504092239463699
Energy: 0.5099251910929238
Energy: 0.46938674262698515
Energy: 0.4666400686942649
Energy: 0.4669818669510885
Energy: 0.5107906534288233
Energy: 0.4667731532521154
Energy: 0.5088704314187671
Energy: 0.5069470102781445
Energy: 0.4808226225331885
Energy: 0.46825056343550736
Energy: 0.4671328353343224
Energy: 0.47994115101362117
Energy: 0.5144821713725435
Energy: 0.555047403486941
Energy: 0.4821837486270264
Energy: 0.46746115132295857
Energy: 0.46892300491487493
Energy: 0.4672025555899276
Energy: 0.5086090199767976
Energy: 0.4661047255570667
Energy: 0.46623948633060364
Energy: 0.5088816028270658
Energy: 0.46647135370578396
Energy: 0.4667649410870777
Energy: 0.5944549768039507
Energy: 0.46632216581768793
Energy: 0.46608063439964414
Energy: 0.5953236136927603
Energy: 0.46656034615333036
Energy: 0.46639346608351295
Energy: 0.46178623048622797
Energy: 0.5466863584458926
Energy: 0.5185402661231573
Energy: 0.5117901094843453
Energy: 0.4684317828862649
Energy: 0.46736961689242557

minimum gb energy = 0.4613310693484508 eV
minimum distance =  2.6841714731103 Angstroms
sigma value = 81


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

Energy: 0.9191685888743053
Energy: 0.6580182349208028
Energy: 0.5746285706362132
Energy: 0.5331410558127665
Energy: 0.7594129731711718
Energy: 0.5745519751100069
Energy: 0.4931830985288191
Energy: 0.5085014854934072
Energy: 0.5079333220028415
Energy: 0.5283006472412738
Energy: 0.508820919116866
Energy: 0.5062644530144715
Energy: 0.5279427966243944
Energy: 0.4854949349524269
Energy: 0.48438863129142734
Energy: 0.5281338799818215
Energy: 0.4860185105655126
Energy: 0.5745974396964533
Energy: 0.49197972223515607
Energy: 0.48513125406453306
Energy: 0.49158362597502386
Energy: 0.4920946031591531
Energy: 0.48657848083261473
Energy: 0.4908661438697371
Energy: 0.49209194829745234
Energy: 0.49968118045359466
Energy: 0.499020435076872
Energy: 0.49188065925462743
Energy: 0.4868252571710449
Energy: 0.4990465057912274
Energy: 0.5866254313797282
Energy: 0.5053730269103034
Energy: 0.5075359692914813
Energy: 0.6212567545633748
Energy: 0.48673926014665875
Energy: 0.5074996967577464
Energy: 0.5122953288250396
Energy: 0.47295047672219126
Energy: 0.48583622792699616
Energy: 0.48942327598853475
Energy: 0.47254320896263485
Energy: 0.4870893859622166
Energy: 0.7562252100649015
Energy: 0.5453211338786089
Energy: 0.5452860989537002
Energy: 0.46973062050459224
Energy: 0.5455507883744217
Energy: 0.49046440747108716
Energy: 0.5280856469958228
Energy: 0.4965765146339038
Energy: 0.5085230867807307
Energy: 0.5283352419889827
Energy: 0.5337245771871362
Energy: 0.5046060822323659
Energy: 0.5751180069709794
Energy: 0.5450976707384074
Energy: 0.5058210280839216
Energy: 0.5762550006805165
Energy: 0.5328188475098493
Energy: 0.5285871807788504
Energy: 0.5137031613649616
Energy: 0.5046249425172923
Energy: 0.5045743155675323
Energy: 0.5136553845273292
Energy: 0.4969217831125136
Energy: 0.5054860148465139
Energy: 0.5065745538319609
Energy: 0.5335823770752434
Energy: 0.5005349414987896
Energy: 0.48510137556561034
Energy: 0.470526290048367
Energy: 0.5000095944256139
Energy: 0.6070826562535777
Energy: 0.4705614191913634
Energy: 0.47060690540172734
Energy: 0.4844822002151046
Energy: 0.511697286596921
Energy: 0.47000125031056667
Energy: 0.4884841697735446
Energy: 0.4886648703838248
Energy: 0.4703760981604159
Energy: 0.48881638983944714
Energy: 0.4884163191892324
Energy: 0.4702652256802025
Energy: 0.6684604541843595
Energy: 0.47103964756480016
Energy: 0.5556827735720056
Energy: 0.5115102110631178
Energy: 0.4714438890208623
Energy: 0.512083471980655
Energy: 0.5008608786584746
Energy: 0.5129173416669037
Energy: 0.5131366070004385
Energy: 0.5013902648638301
Energy: 0.5932806053731298
Energy: 0.5150118144033733
Energy: 0.5128653359813404
Energy: 0.46968362773251837
Energy: 0.4911650652709011
Energy: 0.5130130479473975
Energy: 0.46946475381567837
Energy: 0.49076732768189385
Energy: 0.5352924515702101
Energy: 0.47579723366494336
Energy: 0.4902817923339664
Energy: 0.5354080288162038
Energy: 0.4751434474653295
Energy: 0.5068406328780917
Energy: 0.47530897570343006
Energy: 0.6249848439309462
Energy: 0.5418281739714973
Energy: 0.5129217054529495
Energy: 0.6251642725893344
Energy: 0.5031861552903408
Energy: 0.47578952087275495
Energy: 0.5351661366257441
Energy: 0.5029720861440542
Energy: 0.48859812920114015
Energy: 0.5350084740324861
Energy: 0.5031904606665607
Energy: 0.47498270446231083
Energy: 0.47634184206817626
Energy: 0.5126597248444593
Energy: 0.475103784513883
Energy: 0.47669553134521814
Energy: 0.507292305497183
Energy: 0.5098909505103693
Energy: 0.48540349134240607
Energy: 0.4974313834992207
Energy: 0.5099946189642972
Energy: 0.48532368919273683
Energy: 0.4973963206213154
Energy: 0.4976706770422186
Energy: 0.5070998472729721
Energy: 0.507502696511465
Energy: 0.4984060925835449
Energy: 0.4757196436387214
Energy: 0.5047446762580537
Energy: 0.4993392098596894
Energy: 0.5368292721916192
Energy: 0.5096933268907451
Energy: 0.5074604330614503
Energy: 0.5364508382011937
Energy: 0.5073120627199905
Energy: 0.5790213660512464
Energy: 0.5069571477883777
Energy: 0.5112096933699092
Energy: 0.5792021588461479
Energy: 0.4954342212707325
Energy: 0.5103300245746518
Energy: 0.7587818240868927
Energy: 0.490846845242383
Energy: 0.5002899483068363
Energy: 0.47064021905947656
Energy: 0.4904763332792382
Energy: 0.49997389119143903
Energy: 0.5983141062525996
Energy: 0.533319311963474
Energy: 0.500358980480151
Energy: 0.4704433809332184
Energy: 0.4715161489678971
Energy: 0.5003754949165996
Energy: 0.5800549190785487
Energy: 0.5044706441343451
Energy: 0.5046784324601773
Energy: 0.580087635876851
Energy: 0.4969943276856421
Energy: 0.5074089678995216
Energy: 0.5916880987737475
Energy: 0.5463460843018709
Energy: 0.5057723342767273
Energy: 0.5926833628195292
Energy: 0.5463700379883338
Energy: 0.5055368192896974
Energy: 0.5281503465960867
Energy: 0.49703426568062503
Energy: 0.508625262207725
Energy: 0.5285459649564191
Energy: 0.534104591869748
Energy: 0.5047679672121034
Energy: 0.6060538835947237
Energy: 0.49388231023076035
Energy: 0.4850718178547943
Energy: 0.4847130630285578
Energy: 0.6048369471389802
Energy: 0.5383034538311873
Energy: 0.5126154473243681
Energy: 0.47044305528343594
Energy: 0.4705795940746663
Energy: 0.48870752670785156
Energy: 0.4704831213179619
Energy: 0.47065229313927753
Energy: 0.6659341933219777
Energy: 0.47094106998120483
Energy: 0.4708148501636038
Energy: 0.53967734838867
Energy: 0.4707674378052821
Energy: 0.4705336103383945
Energy: 0.4961265871028346
Energy: 0.6100256641926657
Energy: 0.5085900244840795
Energy: 0.49596942197989363
Energy: 0.5640810405733578
Energy: 0.5084017354145944
Energy: 0.49462133120933455
Energy: 0.5070493531076795
Energy: 0.5060330781795995
Energy: 0.494707501663981
Energy: 0.46936856713114466
Energy: 0.5060693110219601
Energy: 0.5269873398490823
Energy: 0.46892641440524385
Energy: 0.486591357141671
Energy: 0.6400025537799586
Energy: 0.4691290151850411
Energy: 0.5737718496502814
Energy: 0.4940293361914024
Energy: 0.5079060429954659
Energy: 0.5077360680839318
Energy: 0.5624672215148014
Energy: 0.5642458048634289
Energy: 0.506373679018335
Energy: 0.6357492424100906
Energy: 0.648336658920755
Energy: 0.5334781002906461
Energy: 0.4985709835085799
Energy: 0.644018823051667
Energy: 0.5335538465801926

minimum gb energy = 0.46892641440524385 eV
minimum distance =  2.57506607191597 Angstroms
sigma value = 43


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

Energy: 0.8086726979386617
Energy: 0.629412359776403
Energy: 0.5980158369425016
Energy: 0.520467896833184
Energy: 0.6293720388513205
Energy: 0.5203450887645799
Energy: 0.4919830291879605
Energy: 0.5138613266999332
Energy: 0.5557056615085343
Energy: 0.5489998357276308
Energy: 0.503862410908651
Energy: 0.5021572684560517
Energy: 0.6351123232941823
Energy: 0.47670860646286717
Energy: 0.47643027868151033
Energy: 0.5732256412943892
Energy: 0.47617414106571426
Energy: 0.5177823433744253
Energy: 0.49132074968609046
Energy: 0.4772452462842725
Energy: 0.49072814320360464
Energy: 0.49107731023647994
Energy: 0.47580753251537017
Energy: 0.49060447149761943
Energy: 0.49046698908843006
Energy: 0.5019191679443078
Energy: 0.5020155285813049
Energy: 0.4904760784235865
Energy: 0.5016497338537681
Energy: 0.501659821819895
Energy: 0.4909007517662984
Energy: 0.5014188500863223
Energy: 0.5017809041203531
Energy: 0.5017493571824719
Energy: 0.4907030018931925
Energy: 0.5027258161227055
Energy: 0.5164693907406785
Energy: 0.49051656620221784
Energy: 0.49051255879893163
Energy: 0.5166906582765657
Energy: 0.4920549281046214
Energy: 0.4903509291124905
Energy: 0.686807480620685
Energy: 0.4910766398190824
Energy: 0.4911527347965544
Energy: 0.5211195512113358
Energy: 0.4909328993852657
Energy: 0.6015484809357782
Energy: 0.5169078397657187
Energy: 0.4906305937504099
Energy: 0.4905835305307109
Energy: 0.5172840409091267
Energy: 0.576634422650883
Energy: 0.49056033450013464
Energy: 0.5525059854903996
Energy: 0.5187145050742963
Energy: 0.5188252973172344
Energy: 0.5525871746439048
Energy: 0.5188194716226834
Energy: 0.5842114515319792
Energy: 0.4753855109160627
Energy: 0.5290481949935429
Energy: 0.5222260722675468
Energy: 0.47524897401191735
Energy: 0.550031062708895
Energy: 0.5396607211249763
Energy: 0.5520803669381565
Energy: 0.5884524441029175
Energy: 0.5181169548892992
Energy: 0.4767819876677511
Energy: 0.6371717295052043
Energy: 0.4912766047542277
Energy: 0.725458614808594
Energy: 0.49083321937344937
Energy: 0.528967034134365
Energy: 0.4759492403594695
Energy: 0.5182655450065493
Energy: 0.5036439589064714
Energy: 0.4753935599450282
Energy: 0.5065819702754952
Energy: 0.5451757726845122
Energy: 0.47540827916116835
Energy: 0.5066566204553591
Energy: 0.5461277577006035
Energy: 0.47573227700000636
Energy: 0.5447544906919576
Energy: 0.47776503204340576
Energy: 0.4761422644642682
Energy: 0.5251879577781368
Energy: 0.4768443546941552
Energy: 0.47580930825613893
Energy: 0.47695202683581606
Energy: 0.47577463855321533
Energy: 0.4761296093336126
Energy: 0.5157755141863772
Energy: 0.475596551590606
Energy: 0.4764937941991278
Energy: 0.4767320305781728
Energy: 0.476526928192973
Energy: 0.4765230930441382
Energy: 0.5444362615444353
Energy: 0.47642685143013314
Energy: 0.4761720577714851
Energy: 0.5215017459334573
Energy: 0.5217323328849683
Energy: 0.4761658956469015
Energy: 0.5312689834742088
Energy: 0.47545631264528554
Energy: 0.515798132101077
Energy: 0.5171437444680077
Energy: 0.514422058723456
Energy: 0.5052064369051017
Energy: 0.5197407624310829
Energy: 0.4905130908971421
Energy: 0.5153505124703748
Energy: 0.6003149157728004
Energy: 0.5141684495505731
Energy: 0.4904440821190874
Energy: 0.5526651084608395
Energy: 0.49042122343313355
Energy: 0.47600938364104917
Energy: 0.5380412994393433
Energy: 0.49443571397603797
Energy: 0.47610854517652157
Energy: 0.5395796904014998
Energy: 0.5226591799606688
Energy: 0.6310529192230699
Energy: 0.5037824466862153
Energy: 0.5562600267217461
Energy: 0.631120263405115
Energy: 0.4759434543780418
Energy: 0.5673032869562508
Energy: 0.5495907527671781
Energy: 0.5225197059183372
Energy: 0.5212287245649632
Energy: 0.5310224171451526
Energy: 0.5170760241711924
Energy: 0.5226911241985738
Energy: 0.534629699762909
Energy: 0.6080697776243261
Energy: 0.56346680313817
Energy: 0.47573020782160413
Energy: 0.47614853341035285
Energy: 0.47580411836902003
Energy: 0.5494430150929475
Energy: 0.4760427358724947
Energy: 0.4756916633224823
Energy: 0.5497265042568229
Energy: 0.4765260191319754
Energy: 0.4765481142679712
Energy: 0.5201230886469421
Energy: 0.4760346960707885
Energy: 0.4756770742654859
Energy: 0.5453273507878473
Energy: 0.4755715005477262
Energy: 0.4771640628194657
Energy: 0.5198711274733866
Energy: 0.5597119179560255
Energy: 0.5315203982153615
Energy: 0.491110971783033
Energy: 0.47531122454304886
Energy: 0.5446136800673236
Energy: 0.5202096481786034
Energy: 0.5449374952118038
Energy: 0.4907340577916551
Energy: 0.5179031849893904
Energy: 0.5142142130727303
Energy: 0.49116687205354664
Energy: 0.59509933335641
Energy: 0.4908135905229587
Energy: 0.5174467305501121
Energy: 0.5963372893274258
Energy: 0.5206683403492032
Energy: 0.5649123422383658
Energy: 0.4911786390314237
Energy: 0.5137898218132179
Energy: 0.5455371288780483
Energy: 0.4912032635221069
Energy: 0.47545712693863146
Energy: 0.49034339194081333
Energy: 0.8103793465064572
Energy: 0.6822116767734347
Energy: 0.6499898857563369
Energy: 0.5036885777123613
Energy: 0.6829782829591489
Energy: 0.5370814164893258

minimum gb energy = 0.47524897401191735 eV
minimum distance =  2.5442677192298 Angstroms
sigma value = 57


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

Energy: 0.574101358130014
Energy: 0.5949909541727683
Energy: 0.5448820172450016
Energy: 0.5748247004781756
Energy: 0.8671270575907648
Energy: 0.5445726932370973
Energy: 0.4910146128008666
Energy: 0.49281296727074525
Energy: 0.49274932775960933
Energy: 0.4929723386078285
Energy: 0.49311461620053926
Energy: 0.48999536925816856
Energy: 0.6111845163832429
Energy: 0.45048217442121313
Energy: 0.4503324584168371
Energy: 0.6122399861434807
Energy: 0.5046935542606753
Energy: 0.45013971972576483
Energy: 0.49031348950678993
Energy: 0.4504718692593272
Energy: 0.45042294146791495
Energy: 0.48972219843514203
Energy: 0.505516486039749
Energy: 0.4894007039609301
Energy: 0.4891713212203299
Energy: 0.466092380302051
Energy: 0.4667173134018375
Energy: 0.4892317082767747
Energy: 0.4662234716061374
Energy: 0.4668091458822402
Energy: 0.45042245799945346
Energy: 0.4680368643121504
Energy: 0.4658483959509272
Energy: 0.4659670151146935
Energy: 0.4902187541550454
Energy: 0.46576098892060513
Energy: 0.49283048066188423
Energy: 0.4900279549964617
Energy: 0.48910201955485333
Energy: 0.49332978893244783
Energy: 0.4912055228252332
Energy: 0.48921601381586843
Energy: 0.48883287706803974
Energy: 0.5647378918495906
Energy: 0.5640345955419145
Energy: 0.48910833090519984
Energy: 0.565786419350928
Energy: 0.48984983639301694
Energy: 0.492768954388456
Energy: 0.4907148010426604
Energy: 0.489574487524845
Energy: 0.4932214224238082
Energy: 0.5582464219322503
Energy: 0.49031981995434304
Energy: 0.4929710699125582
Energy: 0.48934633788560145
Energy: 0.4890538964304667
Energy: 0.49317175579767997
Energy: 0.4893931490336698
Energy: 0.5493511144619001
Energy: 0.5580221398703279
Energy: 0.5438220891344879
Energy: 0.4920451043475928
Energy: 0.5575126182457462
Energy: 0.49329864507910254
Energy: 0.48964878767142145
Energy: 0.45048013989317315
Energy: 0.5571290740646321
Energy: 0.4928419418978619
Energy: 0.45148806991127244
Energy: 0.5575829859803432
Energy: 0.528026532629134
Energy: 0.45237977837955895
Energy: 0.4914357999968428
Energy: 0.5884132188684099
Energy: 0.5283767597563515
Energy: 0.4928950803990189
Energy: 0.528216682567246
Energy: 0.5575203997952358
Energy: 0.493339422113397
Energy: 0.4929235050197927
Energy: 0.5580277019678396
Energy: 0.4936475881071306
Energy: 0.4897084769407162
Energy: 0.49585922781302494
Energy: 0.47745590124396986
Energy: 0.4772164209522458
Energy: 0.49581292293960166
Energy: 0.5048955988798481
Energy: 0.4772116128310482
Energy: 0.4891984958943587
Energy: 0.46693270512474055
Energy: 0.46779387172141784
Energy: 0.4899224525378701
Energy: 0.4935466317383036
Energy: 0.48911536581831383
Energy: 0.4901659775456121
Energy: 0.465619054996626
Energy: 0.465793244278397
Energy: 0.48961335979433707
Energy: 0.4659092646236809
Energy: 0.4660282537000529
Energy: 0.49006223289573064
Energy: 0.4898698502868928
Energy: 0.46756411538642856
Energy: 0.46721146282535103
Energy: 0.48943963931808293
Energy: 0.46818696215334177
Energy: 0.4928135116653521
Energy: 0.4893573809422872
Energy: 0.48986606630601426
Energy: 0.5216483228555501
Energy: 0.4893418876834793
Energy: 0.4902665646128626
Energy: 0.49269151953078294
Energy: 0.5505965205940127
Energy: 0.4896648463756241
Energy: 0.4933637945192124
Energy: 0.5568590419302382
Energy: 0.4900006225283302
Energy: 0.4930000760437412
Energy: 0.4941193750312855
Energy: 0.4929094516786602
Energy: 0.4931141022903926
Energy: 0.49366451969867003
Energy: 0.4897446746328319
Energy: 0.5273967783503752
Energy: 0.5165013958519259
Energy: 0.5165836912372346
Energy: 0.5273536504357722
Energy: 0.5446695615085368
Energy: 0.5165646408502875
Energy: 0.5571607243006131
Energy: 0.493551730505446
Energy: 0.49288526184637144
Energy: 0.5576483792246811
Energy: 0.49360678115738615
Energy: 0.48970909994286
Energy: 0.6021606842895906
Energy: 0.5513513119403842
Energy: 0.5887335850338068
Energy: 0.5283113220867071
Energy: 0.5572413690309389
Energy: 0.5283086645630581

minimum gb energy = 0.45013971972576483 eV
minimum distance =  2.64939718745218 Angstroms
sigma value = 17


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

Energy: 0.6642059891410799
Energy: 0.6787376380778567
Energy: 0.5652546109744041
Energy: 0.47783461931693444
Energy: 0.6783452033769234
Energy: 0.4778429235524726
Energy: 0.5497400173653443
Energy: 0.49798337797920306
Energy: 0.4977910061004413
Energy: 0.5375114678875745
Energy: 0.4993560255996745
Energy: 0.4978052893669386
Energy: 0.5949996983781947
Energy: 0.4542461157163757
Energy: 0.45437798093894927
Energy: 0.5958403966468091
Energy: 0.4544409752412044
Energy: 0.4545320783309483
Energy: 0.500314826397525
Energy: 0.45419452949615785
Energy: 0.4545698760262089
Energy: 0.49808213479461044
Energy: 0.4546164364037777
Energy: 0.49755314478938195
Energy: 0.4979463240947825
Energy: 0.5006091934350267
Energy: 0.5010702982146424
Energy: 0.4978514317546475
Energy: 0.5003268130406108
Energy: 0.5013866952252761
Energy: 0.5942892890406212
Energy: 0.44531036287381276
Energy: 0.4455135307492313
Energy: 0.43544610321013655
Energy: 0.44501419027357036
Energy: 0.43618369027707354
Energy: 0.45423028903100354
Energy: 0.44619699265023266
Energy: 0.4450178546957733
Energy: 0.49022693104205256
Energy: 0.4474481424893131
Energy: 0.49513105704654375
Energy: 0.4456768263267524
Energy: 0.5332327525345925
Energy: 0.5310778710215495
Energy: 0.5328696997450878
Energy: 0.5546660835373057
Energy: 0.5311449184601568
Energy: 0.44685437953494234
Energy: 0.5334610485953528
Energy: 0.535380967435151
Energy: 0.4475593189080801
Energy: 0.4467376205802015
Energy: 0.44556175843119955
Energy: 0.44484726069838926
Energy: 0.4453511288327866
Energy: 0.44514096138217735
Energy: 0.4448801079976324
Energy: 0.4456813942987472
Energy: 0.44587402958483435
Energy: 0.5662170080143188
Energy: 0.4722359396896842
Energy: 0.4998094686309525
Energy: 0.5580864061299274
Energy: 0.4979834234337746
Energy: 0.5014170521154994
Energy: 0.49697548155648386
Energy: 0.49819070603372284
Energy: 0.49745902098404304
Energy: 0.49737576294817654
Energy: 0.49804262767776686
Energy: 0.4973600578673915
Energy: 0.49731599566614043
Energy: 0.5395834956196441
Energy: 0.5396144998730176
Energy: 0.47164145020089654
Energy: 0.5972968152911181
Energy: 0.4978095469847037
Energy: 0.5570202543182183
Energy: 0.49823669814793536
Energy: 0.4983018067345945
Energy: 0.5564125853834014
Energy: 0.49837027687693525
Energy: 0.49787448582188853
Energy: 0.556556568073446
Energy: 0.49748571612507864
Energy: 0.49736480283295487
Energy: 0.5564264332558699
Energy: 0.49752920386343386
Energy: 0.5389348752525714
Energy: 0.5967848140856928
Energy: 0.5046541168006408
Energy: 0.4976599736385882
Energy: 0.596016309403315
Energy: 0.5044099080241219
Energy: 0.4977043401356414
Energy: 0.539958275608251
Energy: 0.5409655534174248
Energy: 0.5401363672329831
Energy: 0.5144594924488342
Energy: 0.5970640485609557
Energy: 0.5401959956914656

minimum gb energy = 0.43544610321013655 eV
minimum distance =  2.6099163215019 Angstroms
sigma value = 17


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

Energy: 0.6792461253021719
Energy: 0.6320544809487126
Energy: 0.47019335171378523
Energy: 0.4665611675473238
Energy: 0.6669960281871631
Energy: 0.46687084955127955
Energy: 0.5647797834573997
Energy: 0.48840308091539797
Energy: 0.4884819081042352
Energy: 0.4881408941988572
Energy: 0.48971876623126126
Energy: 0.48847720445035775
Energy: 0.5665625179853354
Energy: 0.4183493656129893
Energy: 0.44920104792138466
Energy: 0.5670799963673494
Energy: 0.4179494753401864
Energy: 0.4491653945209173
Energy: 0.48935187642579364
Energy: 0.4492351088564112
Energy: 0.4493674756289046
Energy: 0.4899159229068936
Energy: 0.41831438724087916
Energy: 0.44930294413510147
Energy: 0.4875965349030111
Energy: 0.48434435956261207
Energy: 0.4861932193136041
Energy: 0.487735355925609
Energy: 0.5307392589638601
Energy: 0.4855064711456963
Energy: 0.6118138538346236
Energy: 0.43499681785710625
Energy: 0.418547644714612
Energy: 0.4182632073673408
Energy: 0.4351374734219024
Energy: 0.4179554625707403
Energy: 0.49069007987360264
Energy: 0.4346805409172512
Energy: 0.4345588240951882
Energy: 0.4843589613468104
Energy: 0.4361508643294938
Energy: 0.47498815392324323
Energy: 0.535063815588215
Energy: 0.49136802045577077
Energy: 0.4581287870594112
Energy: 0.5356565370548327
Energy: 0.49179762882539485
Energy: 0.4574947106246836
Energy: 0.41566113162461843
Energy: 0.4970044012622198
Energy: 0.4591576219216723
Energy: 0.41470012967915687
Energy: 0.4142266597305381
Energy: 0.414027653716035
Energy: 0.41427038012167
Energy: 0.4946363682033127
Energy: 0.4958442504024
Energy: 0.4142202780800268
Energy: 0.4953650577084946
Energy: 0.49526196777459475
Energy: 0.552063485980696
Energy: 0.4140925132072732
Energy: 0.4948443691644527
Energy: 0.49585592684323954
Energy: 0.4142534602131702
Energy: 0.49450536527614747
Energy: 0.41564521862699494
Energy: 0.4140136433686083
Energy: 0.4141271768466674
Energy: 0.41635427162388133
Energy: 0.4163701435844475
Energy: 0.4588732313639747
Energy: 0.43378717692859625
Energy: 0.46459246959238976
Energy: 0.45988603700174857
Energy: 0.4574531437660158
Energy: 0.5171201390299189
Energy: 0.45908735609649687
Energy: 0.43516495454911075
Energy: 0.5103750914852596
Energy: 0.5101086635111896
Energy: 0.43577926401760725
Energy: 0.4882764318076648
Energy: 0.43467351623747774
Energy: 0.43477579725918264
Energy: 0.5059301003623246
Energy: 0.46934168728051107
Energy: 0.43473895705401655
Energy: 0.45708335952619933
Energy: 0.43506752733581805
Energy: 0.5376563939245036
Energy: 0.4877959890633236
Energy: 0.4852432533128894
Energy: 0.5306455775240432
Energy: 0.48795923550816717
Energy: 0.4857332244917464
Energy: 0.4143665923838966
Energy: 0.48801423233139307
Energy: 0.4881785512097649
Energy: 0.4360583403260498
Energy: 0.48790379574486537
Energy: 0.434221759971948
Energy: 0.44425335300418295
Energy: 0.5197064027564389
Energy: 0.4878084218798131
Energy: 0.44173117900409176
Energy: 0.5659343715194493
Energy: 0.4348884803634351
Energy: 0.5348656488663028
Energy: 0.4880542022722539
Energy: 0.48406572108770435
Energy: 0.5358128144383172
Energy: 0.46571180508124
Energy: 0.4881584588521806
Energy: 0.6463719899434973
Energy: 0.4864626145007407
Energy: 0.48681457949877105
Energy: 0.6413913694803012
Energy: 0.43463824050080807
Energy: 0.49059826288711067
Energy: 0.5685707416299907
Energy: 0.48802610870639207
Energy: 0.48782188285980005
Energy: 0.5651361322476339
Energy: 0.4880345796642704
Energy: 0.48785774980836955
Energy: 0.48217117194701237
Energy: 0.5219040423575828
Energy: 0.5563868093570822
Energy: 0.44923837856697674
Energy: 0.5669859427997856
Energy: 0.44932129121076414
Energy: 0.4794613166286414
Energy: 0.4884141989089523
Energy: 0.4884472446623412
Energy: 0.4802244896854639
Energy: 0.5351849564408417
Energy: 0.5246383587293979
Energy: 0.5659181026365198
Energy: 0.45009459857856565
Energy: 0.48818998355050297
Energy: 0.5669232490286528
Energy: 0.47909148051952144
Energy: 0.4880179376596632
Energy: 0.4879782471835539
Energy: 0.41799752314758143
Energy: 0.4492902536415546
Energy: 0.4880456075445457
Energy: 0.41823192674180737
Energy: 0.4493656262556424
Energy: 0.489305825687649
Energy: 0.4863382722917142
Energy: 0.48555541332802077
Energy: 0.4899738355684589
Energy: 0.4856163854564607
Energy: 0.48770231730850594
Energy: 0.4490516328511639
Energy: 0.5304372058939025
Energy: 0.43580785515734916
Energy: 0.4181436024692734
Energy: 0.5385151238026034
Energy: 0.4180767942566215
Energy: 0.4367866129126563
Energy: 0.43613500302426134
Energy: 0.43475156741214177
Energy: 0.4370291655697145
Energy: 0.4365358806855402
Energy: 0.43478258696185146
Energy: 0.5359913531480386
Energy: 0.506263743270939
Energy: 0.508284926000707
Energy: 0.5178513630189321
Energy: 0.43462148913594784
Energy: 0.5074706633441678
Energy: 0.413988583887017
Energy: 0.49117543979721184
Energy: 0.4586747219818635
Energy: 0.414012063032762
Energy: 0.49191999207118026
Energy: 0.45869895554347645
Energy: 0.4166791013531602
Energy: 0.49624310437393826
Energy: 0.49461840962938647
Energy: 0.41726831180325424
Energy: 0.49574716217428744
Energy: 0.4581347393698382
Energy: 0.5527936574555579
Energy: 0.4960468159411867
Energy: 0.4941731837494737
Energy: 0.5214299100797545
Energy: 0.49869578520487573
Energy: 0.4928451819010284
Energy: 0.43380298293228164
Energy: 0.4154654132557063
Energy: 0.4138255930174586
Energy: 0.43406510779956703
Energy: 0.4156281248615824
Energy: 0.4141372466298985
Energy: 0.5905920819636619
Energy: 0.4572257296117374
Energy: 0.45749431289836845
Energy: 0.45928052216757115
Energy: 0.41357655469597354
Energy: 0.45703196636438237
Energy: 0.4385917292651349
Energy: 0.5070115676898038
Energy: 0.5068539033394629
Energy: 0.4348184258623613
Energy: 0.5078199701280901
Energy: 0.5065031604287844
Energy: 0.43469938470939684
Energy: 0.45678081566906986
Energy: 0.4341915731785947
Energy: 0.43479328279248775
Energy: 0.45720817734612146
Energy: 0.4345341134050904
Energy: 0.536432621502044
Energy: 0.4855801184527495
Energy: 0.43563630403353365
Energy: 0.5370054975559952
Energy: 0.4876271677468907
Energy: 0.4351432366357843
Energy: 0.473555889824735
Energy: 0.48898974917163346
Energy: 0.4882424787979771
Energy: 0.46531700086986166
Energy: 0.4891227729155254
Energy: 0.4880693353971363
Energy: 0.4883182272160402
Energy: 0.5654597559931972
Energy: 0.43423762198317845
Energy: 0.4345845279343305
Energy: 0.5653190417388534
Energy: 0.43523266067709465
Energy: 0.5344775905570973
Energy: 0.4884895573649102
Energy: 0.48803606824132745
Energy: 0.5340603422509647
Energy: 0.5225196867353936
Energy: 0.463607200598716
Energy: 0.5359695516369916
Energy: 0.43413198426341687
Energy: 0.48722382184951407
Energy: 0.5345691680102658
Energy: 0.4339568161707937
Energy: 0.5189324548685652
Energy: 0.5651494684320053
Energy: 0.46672664030426375
Energy: 0.4873996907862953
Energy: 0.5660680428587621
Energy: 0.5198211312942961
Energy: 0.48834137122092647
Energy: 0.4793536270602955
Energy: 0.5198559019821355
Energy: 0.48824852379437633
Energy: 0.4798708704360046
Energy: 0.5209766925533323
Energy: 0.5245304390329064

minimum gb energy = 0.41357655469597354 eV
minimum distance =  2.5965609482391 Angstroms
sigma value = 57


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

Energy: 0.620152088602026
Energy: 0.6344750020046653
Energy: 0.456596709688124
Energy: 0.42480102311440504
Energy: 0.6343257087185434
Energy: 0.45567866046096567
Energy: 0.5360558210995905
Energy: 0.475437110984048
Energy: 0.47736328489265883
Energy: 0.4780585044937863
Energy: 0.47389848886901215
Energy: 0.47205915446672025
Energy: 0.5365323106642371
Energy: 0.40662774248470135
Energy: 0.40711367672090665
Energy: 0.53758224223742
Energy: 0.4069173139257881
Energy: 0.43857925640325485
Energy: 0.47478018341809547
Energy: 0.40724960929073545
Energy: 0.4386428605350692
Energy: 0.47512837622956217
Energy: 0.4798645727959881
Energy: 0.43851435315992277
Energy: 0.4465444477494345
Energy: 0.4686856949062758
Energy: 0.46996098067906883
Energy: 0.4426739631815031
Energy: 0.49837995469005186
Energy: 0.47153798304586936
Energy: 0.5721591442618942
Energy: 0.42352715393591206
Energy: 0.40676083994309253
Energy: 0.4617592980776035
Energy: 0.4235149685523803
Energy: 0.40643292647108903
Energy: 0.5181108312534228
Energy: 0.42833825100337675
Energy: 0.4235230251106655
Energy: 0.5101462480955596
Energy: 0.4262973972208556
Energy: 0.45730598616518564
Energy: 0.5035763642273547
Energy: 0.46864624162997454
Energy: 0.46598015312315433
Energy: 0.5043942140630752
Energy: 0.46489916431164335
Energy: 0.44533405829496386
Energy: 0.39966747848290857
Energy: 0.47576108437373626
Energy: 0.3982459949170471
Energy: 0.40070582607225824
Energy: 0.5171983749817446
Energy: 0.3980711507228062
Energy: 0.39852603638478573
Energy: 0.47296812521551107
Energy: 0.46795557292094053
Energy: 0.39854791081331115
Energy: 0.4683029704639877
Energy: 0.4696309046704226
Energy: 0.5359897693298813
Energy: 0.38620219404988726
Energy: 0.46307211257890907
Energy: 0.45991534082434904
Energy: 0.39453697243342023
Energy: 0.4632629449133088
Energy: 0.5126729353693333
Energy: 0.3905477879296387
Energy: 0.3860356412143851
Energy: 0.513210321637475
Energy: 0.3905802393976478
Energy: 0.4602129760607993
Energy: 0.454211810125154
Energy: 0.45821157384766376
Energy: 0.4539342658233817
Energy: 0.4621594457573983
Energy: 0.46206742057396394
Energy: 0.4561667678679143
Energy: 0.3862225084392792
Energy: 0.462565605588807
Energy: 0.3859527596789454
Energy: 0.38730212739563546
Energy: 0.5130615863337691
Energy: 0.38585305953343085
Energy: 0.3862536277465762
Energy: 0.4619583101563166
Energy: 0.4617324840718595
Energy: 0.3862993607601921
Energy: 0.4626025099721837
Energy: 0.46073966950110407
Energy: 0.5058110111940465
Energy: 0.3983160873701406
Energy: 0.46879336431014484
Energy: 0.4696516048861851
Energy: 0.4044216229897814
Energy: 0.46729933874529744
Energy: 0.4063274459873359
Energy: 0.40379492711473913
Energy: 0.39811444797081624
Energy: 0.4618342784045378
Energy: 0.40321348969283155
Energy: 0.43843376135400164
Energy: 0.42310121864410943
Energy: 0.43851524875854847
Energy: 0.44016229509765903
Energy: 0.42305037326118233
Energy: 0.4831799343032226
Energy: 0.4381524573982714
Energy: 0.42352999251554563
Energy: 0.4448742099456016
Energy: 0.4235856541407847
Energy: 0.4244493208572025
Energy: 0.5133165866532052
Energy: 0.4233907664067007
Energy: 0.5125251864980304
Energy: 0.43785833091757737
Energy: 0.4462438778816234
Energy: 0.5130188149905327
Energy: 0.436897032854468
Energy: 0.47053810314921735
Energy: 0.5127597372129065
Energy: 0.472435720369666
Energy: 0.47190655990993946
Energy: 0.5065014881114545
Energy: 0.47729845392007236
Energy: 0.4718421894491819
Energy: 0.47802336846797555
Energy: 0.47187726912622235
Energy: 0.4489447953323455
Energy: 0.43898000991135433
Energy: 0.47716475660489166
Energy: 0.4232557108062872
Energy: 0.4308466020409194
Energy: 0.5012487193206093
Energy: 0.4719945561159192
Energy: 0.4724408105685245
Energy: 0.5368962238917528
Energy: 0.47180760197025423
Energy: 0.5099601538925603
Energy: 0.42819995984524173
Energy: 0.46772232517603174
Energy: 0.5107283595295157
Energy: 0.4990990507278063
Energy: 0.4719699140203981
Energy: 0.5392566813461074
Energy: 0.42285190208439505
Energy: 0.423390441142601
Energy: 0.5399679185363702
Energy: 0.4233330599334857
Energy: 0.47189544005611406
Energy: 0.5396577417299431
Energy: 0.4769556957748208
Energy: 0.47203150588681697
Energy: 0.5406056724476815
Energy: 0.47659713992422553
Energy: 0.47173783639323
Energy: 0.43800203963334244
Energy: 0.5009133267300954
Energy: 0.4389561906695595
Energy: 0.4068428220185274
Energy: 0.5384277149526346
Energy: 0.43866720434811896

minimum gb energy = 0.38585305953343085 eV
minimum distance =  2.60725971940504 Angstroms
sigma value = 43


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

Energy: 0.5667689145469436
Energy: 0.5209692839985489
Energy: 0.41925033266840006
Energy: 0.37533447109230983
Energy: 0.5212027516352
Energy: 0.39248873032425513
Energy: 0.47004164213621913
Energy: 0.4243335264979785
Energy: 0.4241487618697314
Energy: 0.4246591024954977
Energy: 0.42594593936846337
Energy: 0.4204391693158238
Energy: 0.47316035830480385
Energy: 0.41055698830400356
Energy: 0.3738596302029864
Energy: 0.47057720483420634
Energy: 0.4111374821431524
Energy: 0.37197081680301797
Energy: 0.42658359809567353
Energy: 0.3748644821109481
Energy: 0.37266642378190024
Energy: 0.42710496303756296
Energy: 0.4470325977893982
Energy: 0.399149850715752
Energy: 0.42829389719323874
Energy: 0.38597179942983034
Energy: 0.38592618915474725
Energy: 0.428195311829656
Energy: 0.4148255952859801
Energy: 0.4123549528646973
Energy: 0.5310634316225281
Energy: 0.3860516029197628
Energy: 0.3721853872809917
Energy: 0.4012914534981117
Energy: 0.38593322196574165
Energy: 0.352799031624895
Energy: 0.4515195576136752
Energy: 0.38596228154947515
Energy: 0.38590721913337883
Energy: 0.39336750168708023
Energy: 0.3886843508829384
Energy: 0.3862635075243827
Energy: 0.4454686068744721
Energy: 0.40084350710362865
Energy: 0.4100241125459011
Energy: 0.44543654332613597
Energy: 0.40069946035434123
Energy: 0.4100293948378663
Energy: 0.36377313769732256
Energy: 0.4101974285972228
Energy: 0.362634003757552
Energy: 0.36462484147789537
Energy: 0.4466873105854506
Energy: 0.3626930654185701
Energy: 0.3626836975763977
Energy: 0.4047275030549644
Energy: 0.4165061070367713
Energy: 0.36257966289239457
Energy: 0.37802621796693586
Energy: 0.41834700927033913
Energy: 0.34137662943487845
Energy: 0.3466920160842631
Energy: 0.3795076912039247
Energy: 0.39553043773590535
Energy: 0.3466725532150063
Energy: 0.4012446047713951
Energy: 0.44360363327919256
Energy: 0.34666507893595516
Energy: 0.34676777500716127
Energy: 0.4239189355678073
Energy: 0.34677715185133845
Energy: 0.4073515657186508
Energy: 0.4385609527379198
Energy: 0.39553485469224553
Energy: 0.3976472495411313
Energy: 0.43925576407819145
Energy: 0.39537499994878883
Energy: 0.3986141998113591
Energy: 0.33696778790087956
Energy: 0.42557763356938244
Energy: 0.33658353858354895
Energy: 0.3378332452375361
Energy: 0.4392720967209314
Energy: 0.3366810498123262
Energy: 0.3363928568974856
Energy: 0.3917600836183738
Energy: 0.3962073922351007
Energy: 0.33642032127627813
Energy: 0.39908818505868093
Energy: 0.3991772073863205
Energy: 0.4377702626905808
Energy: 0.33196546974649055
Energy: 0.3317580595965337
Energy: 0.3950265658313579
Energy: 0.33195315922230173
Energy: 0.3954940388319143
Energy: 0.44027579736278993
Energy: 0.3318276711568666
Energy: 0.33182241103450266
Energy: 0.3963020671437197
Energy: 0.331959333526287
Energy: 0.39611801362163945
Energy: 0.43860977265271456
Energy: 0.3877851335707953
Energy: 0.3901211750080122
Energy: 0.43956916456273254
Energy: 0.3919566354634612
Energy: 0.3949129182301234
Energy: 0.3318110725860547
Energy: 0.43644658281966925
Energy: 0.3321271439500359
Energy: 0.3329435903898024
Energy: 0.43867764110674656
Energy: 0.331808128931381
Energy: 0.4370082857920157
Energy: 0.39304302238986116
Energy: 0.3869183740322521
Energy: 0.43799747148912355
Energy: 0.3935813791040814
Energy: 0.3989632777373058
Energy: 0.44054551034983364
Energy: 0.33676873722408507
Energy: 0.33669675818475997
Energy: 0.39546253585405383
Energy: 0.33670853354138913
Energy: 0.3989133203607436
Energy: 0.38722843822399794
Energy: 0.3368578039586356
Energy: 0.3364223550053053
Energy: 0.3991583791005391
Energy: 0.33689974917468535
Energy: 0.39918142455668215
Energy: 0.34648091580246604
Energy: 0.3977256745539453
Energy: 0.40324326354576107
Energy: 0.34651320780222933
Energy: 0.39948356445735356
Energy: 0.4029808715181928
Energy: 0.3469148522584951
Energy: 0.44381254265195524
Energy: 0.3467246904641252
Energy: 0.34782920898847053
Energy: 0.4440047288397741
Energy: 0.346813555147736
Energy: 0.4419635733453768
Energy: 0.39834320039996746
Energy: 0.4063744969136292
Energy: 0.4428317111883206
Energy: 0.39810300935047904
Energy: 0.4067965186212042
Energy: 0.45237750375939767
Energy: 0.36275721116795845
Energy: 0.3626262486215728
Energy: 0.41266177326364406
Energy: 0.36287457597367095
Energy: 0.4187895358104898
Energy: 0.34751883012007284
Energy: 0.36274825234186453
Energy: 0.362709959923705
Energy: 0.3984249257125342
Energy: 0.36273572558694167
Energy: 0.40540778569345787
Energy: 0.3857208283355591
Energy: 0.3926300112005806
Energy: 0.39845497448055184
Energy: 0.3857598790395188
Energy: 0.3998562806880244
Energy: 0.3981951827073658
Energy: 0.38678920928114036
Energy: 0.4168288846028016
Energy: 0.38592309078234466
Energy: 0.3877577847636798
Energy: 0.4516862973193933
Energy: 0.3861277997703879
Energy: 0.4503410450957087
Energy: 0.40550834178218226
Energy: 0.392835371940863
Energy: 0.45055886203398443
Energy: 0.4057535655052526
Energy: 0.39234766975040847
Energy: 0.44950071917735546
Energy: 0.4243711450954228
Energy: 0.42405149529205666
Energy: 0.3861506483991494
Energy: 0.4270224723419157
Energy: 0.42182219603011445
Energy: 0.5477081175151822
Energy: 0.42416945898017067
Energy: 0.40512256614214953
Energy: 0.40721842310263645
Energy: 0.4242044933562439
Energy: 0.36297900243983483
Energy: 0.4224050886448159
Energy: 0.4241855268016881
Energy: 0.4241594138939298
Energy: 0.42227281176315434
Energy: 0.4708525405190785
Energy: 0.4239971343090565
Energy: 0.453288738405366
Energy: 0.38589645983033644
Energy: 0.386033390008727
Energy: 0.45345270733673027
Energy: 0.45289613067196466
Energy: 0.42403194207190836
Energy: 0.472412097161447
Energy: 0.36454931147453984
Energy: 0.3865437518087629
Energy: 0.4709593041475396
Energy: 0.36345784003843784
Energy: 0.38613275256825796
Energy: 0.47023021481255045
Energy: 0.4240898336321519
Energy: 0.42415654004519926
Energy: 0.44322685595709127
Energy: 0.4451747311946447
Energy: 0.4240949023184765

minimum gb energy = 0.3317580595965337 eV
minimum distance =  2.58528855555167 Angstroms
sigma value = 81


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

Energy: 0.08327371066448902
Energy: 0.10540486315635388
Energy: 0.08374884364828739
Energy: 0.08468456687974854
Energy: 0.10550022658496633
Energy: 0.0833399904193672
Energy: 0.10698225578859455
Energy: 0.0835139886566818
Energy: 0.08374661743884876
Energy: 0.10670885501682668
Energy: 0.08551791867033476
Energy: 0.08365092404458922
Energy: 0.10547077623676195
Energy: 0.08344656919406879
Energy: 0.0836031403270332
Energy: 0.10547914364016257
Energy: 0.08375127415260089
Energy: 0.10586203653380051
Energy: 0.08468848498637173
Energy: 0.0835131030005185
Energy: 0.08354535561153546
Energy: 0.08579691516975789
Energy: 0.0834537961709177
Energy: 0.10630806833210393
Energy: 0.10597836604828358
Energy: 0.10534760230416597
Energy: 0.10541711449626659
Energy: 0.10658011819664702
Energy: 0.10529267638941656
Energy: 0.10618393979214093
Energy: 0.08370781718414631
Energy: 0.08378781063492434
Energy: 0.08354534597837965
Energy: 0.08493769127824698
Energy: 0.08370710587446227
Energy: 0.08345777164183965
Energy: 0.10561759554429481
Energy: 0.0836968350578718
Energy: 0.08373867440964776
Energy: 0.10543324800057503
Energy: 0.08717994880247347
Energy: 0.08370136058143135
Energy: 0.10540095535958173
Energy: 0.08340614113045923
Energy: 0.08346175722217701
Energy: 0.10539749884661632
Energy: 0.08345816916672996
Energy: 0.10617242889549981
Energy: 0.0839056010414849
Energy: 0.08362151371008142
Energy: 0.10680060027478105
Energy: 0.08458801012473514
Energy: 0.08353501020738939
Energy: 0.10734622160412101
Energy: 0.08351844981363286
Energy: 0.1053329607132366
Energy: 0.10571696047821795
Energy: 0.08345931663658814
Energy: 0.10526648379781524
Energy: 0.10555923759273926

minimum gb energy = 0.08327371066448902 eV
minimum distance =  2.83268153876175 Angstroms
sigma value = 3


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

Energy: 0.4914120104037571
Energy: 0.47501011697257556
Energy: 0.4760730718298933
Energy: 0.44882374205892633
Energy: 0.4556834071752816
Energy: 0.449346988229328
Energy: 0.4612521925784739
Energy: 0.45204753997165503
Energy: 0.4518736873528851
Energy: 0.4524201567235687
Energy: 0.4528229294456984
Energy: 0.4563910826121242
Energy: 0.46635664686300865
Energy: 0.4423906523537616
Energy: 0.4423232941561259
Energy: 0.4661462968877687
Energy: 0.4260510909618576
Energy: 0.4557995624955699
Energy: 0.4329081310752027
Energy: 0.4418349323051009
Energy: 0.44199546072835894
Energy: 0.43384186816416836
Energy: 0.3946318538198596
Energy: 0.4558385974538644
Energy: 0.395019841292016
Energy: 0.45203723742650165
Energy: 0.45649942951942124
Energy: 0.3950941107699108
Energy: 0.4528519879690093
Energy: 0.456222291776936
Energy: 0.4291928747045607
Energy: 0.4626605362051193
Energy: 0.4432726010755416
Energy: 0.42499748518015984
Energy: 0.44812804031993714
Energy: 0.4238695512130579
Energy: 0.4282828108984541
Energy: 0.39556386624927703
Energy: 0.43219030098134237
Energy: 0.4271302580958449
Energy: 0.3970278234965519
Energy: 0.4589768044763786
Energy: 0.4329475430742788
Energy: 0.42404332664446187
Energy: 0.42371012003412034
Energy: 0.43295378122911615
Energy: 0.41274171634349854
Energy: 0.4064784245293332
Energy: 0.42703799819758376
Energy: 0.42316489914112787
Energy: 0.44312956671792786
Energy: 0.434259519802674
Energy: 0.37213457826738594
Energy: 0.4432948093046084
Energy: 0.372702163015947
Energy: 0.3957537691136259
Energy: 0.39566259556377975
Energy: 0.37251713764653144
Energy: 0.39719074129764037
Energy: 0.40666212976773003
Energy: 0.4147216392784365
Energy: 0.4245498180397723
Energy: 0.4242129255376365
Energy: 0.4136661307948491
Energy: 0.4153068829034383
Energy: 0.4130168337571603
Energy: 0.37356395612837995
Energy: 0.4235390425047451
Energy: 0.42448930289042386
Energy: 0.37320539310278117
Energy: 0.41684677335388864
Energy: 0.37291519871676165
Energy: 0.37176181729673385
Energy: 0.40720188294787013
Energy: 0.41359954118815784
Energy: 0.37190626477458866
Energy: 0.40734828650584426
Energy: 0.37168520071230327
Energy: 0.4112092906636658
Energy: 0.4196854948355379
Energy: 0.41248897967182363
Energy: 0.4128983290519075
Energy: 0.420251238925239
Energy: 0.4135234243465057
Energy: 0.40931573058705484
Energy: 0.35785976579149525
Energy: 0.3576364281242334
Energy: 0.406950590283571
Energy: 0.35901684486852287
Energy: 0.35750799872592876
Energy: 0.40694825038623006
Energy: 0.4090589308892354
Energy: 0.4085605803363204
Energy: 0.406964847873629
Energy: 0.4060728552603363
Energy: 0.4092066262563069
Energy: 0.35098408108698703
Energy: 0.40734756012579026
Energy: 0.4064078392287555
Energy: 0.35093411470495395
Energy: 0.40792319995409054
Energy: 0.3508615950918486
Energy: 0.3508538020342232
Energy: 0.40537285456842526
Energy: 0.4080175277402745
Energy: 0.350903087378162
Energy: 0.4053204465416142
Energy: 0.4175310284109623
Energy: 0.41967193273541725
Energy: 0.416916322398277
Energy: 0.40605145330198594
Energy: 0.4053183270910483
Energy: 0.41852946958258824
Energy: 0.4075990827727536
Energy: 0.4031449741319532
Energy: 0.350957294124165
Energy: 0.35088909464032464
Energy: 0.4041755483300969
Energy: 0.3529790595041459
Energy: 0.35066740082209363
Energy: 0.4060893186878951
Energy: 0.4065801991354686
Energy: 0.40858690695276784
Energy: 0.4062552037399169
Energy: 0.40703061890389647
Energy: 0.4071534788305618
Energy: 0.3589404193233836
Energy: 0.4069154327064498
Energy: 0.40788383626414454
Energy: 0.35973322043812817
Energy: 0.40686435551030725
Energy: 0.3576427800019544
Energy: 0.35889564662859486
Energy: 0.41355370306484895
Energy: 0.41384758905225766
Energy: 0.3589639213407835
Energy: 0.41224381104390795
Energy: 0.4123949696515939
Energy: 0.40944946896593754
Energy: 0.3721940906502325
Energy: 0.37204033398103076
Energy: 0.4091464357616771
Energy: 0.37209776750723694
Energy: 0.4084809680129236
Energy: 0.41727561548221453
Energy: 0.3721161332813398
Energy: 0.3723233368474635
Energy: 0.4175444808653244
Energy: 0.3722236189318249
Energy: 0.37253185260530963
Energy: 0.41629458742847864
Energy: 0.4164336334527
Energy: 0.41644637550295915
Energy: 0.41637456392609556
Energy: 0.41634615557453913
Energy: 0.42467081523796524
Energy: 0.39567787844186747
Energy: 0.41585379406128764
Energy: 0.41630570585393467
Energy: 0.39654046023808387
Energy: 0.42190447240346474
Energy: 0.3955276324065568
Energy: 0.3817813412412488
Energy: 0.43414944195422195
Energy: 0.43344246038079104
Energy: 0.38159692487922786
Energy: 0.40122503467490217
Energy: 0.43313477412637585
Energy: 0.41965531325210276
Energy: 0.4325662370567104
Energy: 0.4215278635935897
Energy: 0.4173865741749814
Energy: 0.4327274465963187
Energy: 0.41638809356337975
Energy: 0.39643688107631275
Energy: 0.4253200079532695
Energy: 0.4225492725918206
Energy: 0.3966920444655381
Energy: 0.4280864489980447
Energy: 0.42261479181812234
Energy: 0.42360601676629395
Energy: 0.43051372845716895
Energy: 0.4301359222127318
Energy: 0.4236230744515965
Energy: 0.41653094651443046
Energy: 0.43001723946432957
Energy: 0.46669451244501464
Energy: 0.429768292061297
Energy: 0.45403499018108157
Energy: 0.46697292049926586
Energy: 0.41060118236775883
Energy: 0.45668886172656364
Energy: 0.4084202633767279
Energy: 0.43279659555222755
Energy: 0.4325447545567756
Energy: 0.40838186299391716
Energy: 0.4344229671085238
Energy: 0.4557216773826804

minimum gb energy = 0.35066740082209363 eV
minimum distance =  2.66544930251926 Angstroms
sigma value = 67


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

Energy: 0.5184526420919446
Energy: 0.5497474610068448
Energy: 0.5282560441600636
Energy: 0.5188182639027943
Energy: 0.6652900440866779
Energy: 0.530114992780346
Energy: 0.5303744853441703
Energy: 0.523860273058456
Energy: 0.5165912482612873
Energy: 0.530438824679087
Energy: 0.5180639306005557
Energy: 0.5224375345083849
Energy: 0.53364751188387
Energy: 0.5014977937003047
Energy: 0.5210596513769234
Energy: 0.5324509488074319
Energy: 0.5147037419782522
Energy: 0.5216298144160942
Energy: 0.47830487083985934
Energy: 0.5210028550162843
Energy: 0.5210583411525479
Energy: 0.479025650177936
Energy: 0.48209860816954037
Energy: 0.5218412288092799
Energy: 0.47842532854834435
Energy: 0.520886601662361
Energy: 0.5257399743793579
Energy: 0.47839522421750846
Energy: 0.5395897559030112
Energy: 0.5220693892382897
Energy: 0.4838966263864442
Energy: 0.535023042477002
Energy: 0.5006783801248332
Energy: 0.501042353060417
Energy: 0.47844424309496236
Energy: 0.501715126829937
Energy: 0.47917662995314847
Energy: 0.47570834029196657
Energy: 0.4858151263797048
Energy: 0.4789211726695352
Energy: 0.4394407012079355
Energy: 0.483996281420471
Energy: 0.4817038982548498
Energy: 0.4821189555771964
Energy: 0.4859159662353384
Energy: 0.4824188494405279
Energy: 0.48157441430198616
Energy: 0.48329693901233983
Energy: 0.4862023362695968
Energy: 0.5014662779489755
Energy: 0.50536347155013
Energy: 0.49418535248105555
Energy: 0.4358181602641537
Energy: 0.5039178656371001
Energy: 0.48632186202843775
Energy: 0.4383532002752039
Energy: 0.4355989206977071
Energy: 0.4870392830080916
Energy: 0.4369959417920363
Energy: 0.43523182660635085
Energy: 0.48491181805313244
Energy: 0.48568134357524056
Energy: 0.48482089680674006
Energy: 0.48219163028712925
Energy: 0.4916510384666489
Energy: 0.4857606733929305
Energy: 0.4160337628034993
Energy: 0.48421090606091904
Energy: 0.4831771014388618
Energy: 0.41606545897486413
Energy: 0.479515314313401
Energy: 0.4161881289457911
Energy: 0.41998692768333445
Energy: 0.48017794918269663
Energy: 0.4790048715403482
Energy: 0.41636557383976935
Energy: 0.47669085987137333
Energy: 0.4160993498580092
Energy: 0.471545597614823
Energy: 0.4859840899797735
Energy: 0.4777847308636088
Energy: 0.4765780825299588
Energy: 0.48386732781371805
Energy: 0.478746156088518
Energy: 0.4720942465799044
Energy: 0.41884617708197963
Energy: 0.41605857144192016
Energy: 0.472592029203242
Energy: 0.4179344872074612
Energy: 0.4161026782216909
Energy: 0.47210853270404435
Energy: 0.4868369754759045
Energy: 0.4843603533726789
Energy: 0.48506376709027293
Energy: 0.4525568906643638
Energy: 0.4831733508805818
Energy: 0.43795210118967465
Energy: 0.48003529669606443
Energy: 0.4779206985454482
Energy: 0.43833201518666753
Energy: 0.47559532563302404
Energy: 0.43558044568835785
Energy: 0.43693807119089
Energy: 0.4939789999675498
Energy: 0.50311007449526
Energy: 0.43684585563667744
Energy: 0.45382553388375035
Energy: 0.47673215988742096
Energy: 0.47557208751354907
Energy: 0.5122056327976515
Energy: 0.4872440488777487
Energy: 0.48723839276924835
Energy: 0.5153498071999169
Energy: 0.48731866296863735
Energy: 0.4755319937677665
Energy: 0.4812008886258589
Energy: 0.4855085603070212
Energy: 0.47508239899422366
Energy: 0.4824539721694439
Energy: 0.4838583205371527
Energy: 0.4729189394328024
Energy: 0.5133338244120776
Energy: 0.5135156480166766
Energy: 0.47337099766221125
Energy: 0.4594096469449202
Energy: 0.5187663959471032
Energy: 0.5334021184557373
Energy: 0.48690700465686126
Energy: 0.5135127859746561
Energy: 0.5323470301064285
Energy: 0.4992333742593864
Energy: 0.5135284368148689
Energy: 0.5051526732977161
Energy: 0.4793625976225992
Energy: 0.48427443424854155
Energy: 0.5051191189256306
Energy: 0.4813989061200003
Energy: 0.5224695266609676

minimum gb energy = 0.4160337628034993 eV
minimum distance =  2.61083223263707 Angstroms
sigma value = 33


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

Energy: 0.6632040290271141
Energy: 0.626869685198628
Energy: 0.6115117505645757
Energy: 0.6654175681191906
Energy: 0.6032558898884233
Energy: 0.5575110823548693
Energy: 0.5588090164241794
Energy: 0.5451600174526843
Energy: 0.5444489886696835
Energy: 0.5589480449204802
Energy: 0.5607968480542433
Energy: 0.5454243393615318
Energy: 0.5603163832375787
Energy: 0.5520567079004445
Energy: 0.552172077551933
Energy: 0.5607602598276578
Energy: 0.5473742876649426
Energy: 0.543459097000511
Energy: 0.49472752769136774
Energy: 0.5521883200249875
Energy: 0.5521478758976823
Energy: 0.495289287869017
Energy: 0.49762749148074137
Energy: 0.5521133950675372
Energy: 0.49486968149466704
Energy: 0.5455764188802069
Energy: 0.5448833386726444
Energy: 0.4948913473000288
Energy: 0.560139064846083
Energy: 0.5531986585379955
Energy: 0.5447486999949553
Energy: 0.5726912156461709
Energy: 0.5676576242843816
Energy: 0.549196030087691
Energy: 0.5877978309012485
Energy: 0.5297029457161803
Energy: 0.4948721706933193
Energy: 0.507693916596117
Energy: 0.5542370608926551
Energy: 0.4951093053047484
Energy: 0.49803525231158985
Energy: 0.4910775409030004
Energy: 0.4960044957067422
Energy: 0.5302096646636788
Energy: 0.5299082168806128
Energy: 0.495155849062201
Energy: 0.5298693514306645
Energy: 0.4944171992800283
Energy: 0.5156533617052426
Energy: 0.5298684648426749
Energy: 0.532475023177659
Energy: 0.526671615318959
Energy: 0.45494216084790845
Energy: 0.5299905372850758
Energy: 0.5139384114558404
Energy: 0.4554278857606987
Energy: 0.4556014442981478
Energy: 0.5148794456052208
Energy: 0.4558133810174024
Energy: 0.4552217729115385
Energy: 0.5146107045796194
Energy: 0.5185183867125892
Energy: 0.5196551919577357
Energy: 0.5174170352499006
Energy: 0.5163212204789185
Energy: 0.5190957616146067
Energy: 0.45532233227568036
Energy: 0.5176673208150158
Energy: 0.5209255142527263
Energy: 0.4553459423316183
Energy: 0.5148881642350761
Energy: 0.4552647140687125
Energy: 0.4553785044669298
Energy: 0.5314004343463336
Energy: 0.5331214311141739
Energy: 0.4553947532680509
Energy: 0.5145642828142287
Energy: 0.45501326123506985
Energy: 0.5190454968958554
Energy: 0.533244459152237
Energy: 0.5305033824599442
Energy: 0.5235762010792588
Energy: 0.5360361557230248
Energy: 0.5165139788133633
Energy: 0.5175133493204157
Energy: 0.4951011954815303
Energy: 0.4940545975013677
Energy: 0.48838049349633184
Energy: 0.4954600708668317
Energy: 0.503604207148797
Energy: 0.4932483390790788
Energy: 0.5406634377293928
Energy: 0.5405898277186553
Energy: 0.5040778532738237
Energy: 0.46348264260881844
Energy: 0.5529353605691038
Energy: 0.5587713113002443
Energy: 0.5405951093685455
Energy: 0.5405610167864348
Energy: 0.5587657129433194
Energy: 0.5402142189901188
Energy: 0.53345855577128
Energy: 0.5592082673956176
Energy: 0.4949923305077747
Energy: 0.5447371035781857
Energy: 0.5589632278282403
Energy: 0.49487931683463554
Energy: 0.5416911192261665
Energy: 0.5682372456649829
Energy: 0.5010338482165193
Energy: 0.5909918894390387
Energy: 0.5685383975506463
Energy: 0.5730645276639853
Energy: 0.5331413363536789
Energy: 0.5236578578362413
Energy: 0.5460416343659237
Energy: 0.5446383828327308
Energy: 0.5237148706401694
Energy: 0.5602161481707151
Energy: 0.5449349666883349
Energy: 0.559090236548965
Energy: 0.5521458660334324
Energy: 0.552041828375616
Energy: 0.5597751619269674
Energy: 0.4978035176095903
Energy: 0.5526618416713315
Energy: 0.49485785907864366
Energy: 0.5520696334415722
Energy: 0.5521987247032037
Energy: 0.4953098572058137
Energy: 0.547728346647497
Energy: 0.5520500910460581
Energy: 0.4950292196371394
Energy: 0.5452477042030872
Energy: 0.540001863268696
Energy: 0.4948627079674403
Energy: 0.5607229575701717
Energy: 0.5532117483018362
Energy: 0.5443617203933534
Energy: 0.5865700653947157
Energy: 0.567817756935516
Energy: 0.5445712877313849
Energy: 0.5863296846340725
Energy: 0.5226311236924963
Energy: 0.4954705996780431
Energy: 0.5062510282271372
Energy: 0.5534718950753409
Energy: 0.4945159824455108
Energy: 0.49799067569521804
Energy: 0.5546703209588785
Energy: 0.49464349278935377
Energy: 0.5302637895742321
Energy: 0.5300582955841604
Energy: 0.4953279079647501
Energy: 0.5300056029369731
Energy: 0.4944450660635776
Energy: 0.5147895336135934
Energy: 0.5304895808536079
Energy: 0.5324789210046923
Energy: 0.5378283616954935
Energy: 0.4551356216549743
Energy: 0.5302620868406688
Energy: 0.5140146816400509
Energy: 0.4554855110497773
Energy: 0.4554583458173169
Energy: 0.515060595459092
Energy: 0.456359319138633
Energy: 0.45516142588973557
Energy: 0.5149544786016452
Energy: 0.48899503438297803
Energy: 0.517970173616009
Energy: 0.5178688753107281
Energy: 0.515294832167541
Energy: 0.5212461489427419
Energy: 0.45512026961052005
Energy: 0.5180222224054998
Energy: 0.5178161665989068
Energy: 0.4551606037208498
Energy: 0.5155393651610937
Energy: 0.45472849939972193
Energy: 0.4553007426067386
Energy: 0.5223431004414075
Energy: 0.4958786971776843
Energy: 0.45531663629283964
Energy: 0.48718264609733797
Energy: 0.45514385597829804
Energy: 0.5202914958603823
Energy: 0.5327452305391879
Energy: 0.5323277106556957
Energy: 0.4878690563976484
Energy: 0.535894231221131
Energy: 0.5195120605916796
Energy: 0.4872700221930227
Energy: 0.4949330433445444
Energy: 0.49472264038696917
Energy: 0.4878712078437389
Energy: 0.49527890808121644
Energy: 0.5036173829493225
Energy: 0.4995621018004911
Energy: 0.4632930758374199
Energy: 0.5528877592714115
Energy: 0.4998506067916762
Energy: 0.4634476780969531
Energy: 0.5533955506229886
Energy: 0.558710056044214
Energy: 0.5404371800397079
Energy: 0.5406132021118739
Energy: 0.5586495498069874
Energy: 0.5236204136385333
Energy: 0.5337383021369997
Energy: 0.5602957138505661
Energy: 0.4944772192414513
Energy: 0.4951022992700837
Energy: 0.5599701371055562
Energy: 0.4944570676205448
Energy: 0.5403590225764382
Energy: 0.5681895440463673
Energy: 0.5588844845329298
Energy: 0.5780312622447348
Energy: 0.562474074227228
Energy: 0.5478737280239938
Energy: 0.5343754061220468

minimum gb energy = 0.45472849939972193 eV
minimum distance =  2.57857273062193 Angstroms
sigma value = 41


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

Energy: 0.631424897545904
Energy: 0.6090981835696431
Energy: 0.6446594195183748
Energy: 0.6330115236287706
Energy: 0.6088692178358405
Energy: 0.6455787731677404
Energy: 0.5837588249295425
Energy: 0.5665678480757369
Energy: 0.5663671509214991
Energy: 0.5837358828848943
Energy: 0.5853037806823047
Energy: 0.5665747717480416
Energy: 0.5831446045504751
Energy: 0.586354062547446
Energy: 0.5861301114420238
Energy: 0.5836945141183009
Energy: 0.5645908644599674
Energy: 0.5658606629911715
Energy: 0.5121819921062626
Energy: 0.5851782275345137
Energy: 0.586140623361717
Energy: 0.5125789271787461
Energy: 0.5107203405272395
Energy: 0.5671045963804299
Energy: 0.5118880205074319
Energy: 0.5863297467738584
Energy: 0.5668023556136161
Energy: 0.5117845892292368
Energy: 0.5832695948619054
Energy: 0.5882178579603411
Energy: 0.5791675640841812
Energy: 0.6014312698292461
Energy: 0.6039810736282335
Energy: 0.5785033284771315
Energy: 0.6213289070155578
Energy: 0.6038347147145303
Energy: 0.5118388249524147
Energy: 0.587837752496438
Energy: 0.5873737135028491
Energy: 0.5120020193066085
Energy: 0.5856997521796162
Energy: 0.5121253318824749
Energy: 0.5134185588442667
Energy: 0.5748481101605257
Energy: 0.5336928469899365
Energy: 0.5141561748382822
Energy: 0.5810403059225425
Energy: 0.5122635865871727
Energy: 0.5623093339387971
Energy: 0.5831678710288625
Energy: 0.5743160045904205
Energy: 0.5630280167745145
Energy: 0.5338132303316778
Energy: 0.5739340448966506
Energy: 0.5365127157646623
Energy: 0.5149256516964806
Energy: 0.5125773945794202
Energy: 0.5359323630409593
Energy: 0.5124026749849826
Energy: 0.5363253035009299
Energy: 0.5291835756036488
Energy: 0.5154947670062398
Energy: 0.5869940226215526
Energy: 0.5296948021688453
Energy: 0.4886439743547649
Energy: 0.5865897920122174
Energy: 0.5829754204521819
Energy: 0.5719295303829098
Energy: 0.5551808368288995
Energy: 0.5829452442297219
Energy: 0.5875734618959149
Energy: 0.5556815497444327
Energy: 0.5866046807520674
Energy: 0.5663641765033173
Energy: 0.5661156477939415
Energy: 0.5864364230138797
Energy: 0.5671876545690865
Energy: 0.5670936036592125
Energy: 0.5906500867861628
Energy: 0.5823111597249955
Energy: 0.6287340309549412
Energy: 0.5912256673421077
Energy: 0.5657713495251014
Energy: 0.6298292441502877

minimum gb energy = 0.4886439743547649 eV
minimum distance =  2.60341711834206 Angstroms
sigma value = 11


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

Energy: 0.793192907204429
Energy: 0.5671790543606183
Energy: 0.5808490582256818
Energy: 0.7944141333446679
Energy: 0.5671222756369805
Energy: 0.5794772152325013
Energy: 0.6068159270878559
Energy: 0.5424474274151452
Energy: 0.5405409968321857
Energy: 0.6069291701021
Energy: 0.5425257396854242
Energy: 0.5567941015542255
Energy: 0.6064598924802148
Energy: 0.5566728117339834
Energy: 0.5564858358673043
Energy: 0.607034918012486
Energy: 0.5399843822236904
Energy: 0.6139005800873849
Energy: 0.5732711776580447
Energy: 0.5439599314093105
Energy: 0.5565732650147177
Energy: 0.5739875979049222
Energy: 0.5281821035483075
Energy: 0.5945306672955186
Energy: 0.5779727091949683
Energy: 0.5426883892467994
Energy: 0.5424390212735515
Energy: 0.5776259731062028
Energy: 0.5428935092967737
Energy: 0.5561904205995697
Energy: 0.6135541158854517
Energy: 0.5695687173757659
Energy: 0.5583914569565543
Energy: 0.5775572617656002
Energy: 0.5690318982195124
Energy: 0.6071013451239267
Energy: 0.5691681581776328
Energy: 0.5848910972949939
Energy: 0.5978735326902064
Energy: 0.5691647084804276
Energy: 0.5808465955918414
Energy: 0.5694142979879666
Energy: 0.5427240852716901
Energy: 0.5781636748130066
Energy: 0.5736391378843652
Energy: 0.5427833792699154
Energy: 0.5780642022324394
Energy: 0.5426060329452981
Energy: 0.5373285788681625
Energy: 0.6067927492540565
Energy: 0.5974846861208235
Energy: 0.5373087344066915
Energy: 0.5726950319052571
Energy: 0.5300642153171036
Energy: 0.5471687237227103
Energy: 0.6058969281811875
Energy: 0.6063568625723847
Energy: 0.5472529961830817
Energy: 0.6073601690199077
Energy: 0.5302433615188031
Energy: 0.5430809362379084
Energy: 0.571038810865265
Energy: 0.5567007394335484
Energy: 0.5428550421181645
Energy: 0.5703925004317398
Energy: 0.5425802113490442
Energy: 0.5524341145499867
Energy: 0.5554442068041264
Energy: 0.5715987096079198
Energy: 0.5509105985376983
Energy: 0.7550258988523487
Energy: 0.5933820384553872
Energy: 0.5405464045326881
Energy: 0.5817414425126802
Energy: 0.5888271515486706
Energy: 0.5406837686962409
Energy: 0.6071507780769525
Energy: 0.5564757844685886
Energy: 0.5550037461009457
Energy: 0.6059931294257009
Energy: 0.6063464560565286
Energy: 0.5582321513137601
Energy: 0.6060255103108084
Energy: 0.5731210142644961
Energy: 0.5287372700744755
Energy: 0.5742501437399355
Energy: 0.5741780586350507
Energy: 0.5287941711943802
Energy: 0.577915104055372
Energy: 0.5727889228160457
Energy: 0.5296091353642601
Energy: 0.5897423305056277
Energy: 0.5717949225598841
Energy: 0.5296972821821178
Energy: 0.5792029537416147
Energy: 0.5286392840313912
Energy: 0.5292119790468078
Energy: 0.5788068641454246
Energy: 0.6099566227285074
Energy: 0.5290527692774867
Energy: 0.5817679400514957
Energy: 0.6099235101084145
Energy: 0.6488553069038817
Energy: 0.5709106805311013
Energy: 0.5709163899402359
Energy: 0.6494934641997592
Energy: 0.5521049933159792
Energy: 0.5622366918365638
Energy: 0.5607165180108669
Energy: 0.5708518071356709
Energy: 0.5569957789585052
Energy: 0.5606653446404476
Energy: 0.5715299838245262
Energy: 0.5888709001729772
Energy: 0.5752462474117838
Energy: 0.5291611122462457
Energy: 0.550676369176849
Energy: 0.5755869283946629
Energy: 0.5432528807675644
Energy: 0.5875050625956212
Energy: 0.570916295313364
Energy: 0.5296262681244854
Energy: 0.5624335522961077
Energy: 0.5716075316908239
Energy: 0.529434069539805
Energy: 0.5713177400863134
Energy: 0.5415648454830663
Energy: 0.5710542189166559
Energy: 0.5708507356909394
Energy: 0.541609575882626
Energy: 0.5725733592535607
Energy: 0.5593685729656195
Energy: 0.5400950270829656
Energy: 0.5712472139927985
Energy: 0.6053908746168342
Energy: 0.5397457078196558
Energy: 0.5758777266003113
Energy: 0.5705288573052923
Energy: 0.5708754237378408
Energy: 0.5566473912476545
Energy: 0.5847520358889602
Energy: 0.5711223822063451
Energy: 0.5564924702076315
Energy: 0.583103863200125
Energy: 0.5710227783943915
Energy: 0.58164439077204
Energy: 0.5640203196506686
Energy: 0.571049387219038
Energy: 0.5735030775106914
Energy: 0.5627346761922216
Energy: 0.5786718424842294
Energy: 0.5292558760921692
Energy: 0.6101298778004113
Energy: 0.5798195940425046
Energy: 0.529197571260999
Energy: 0.6100187902394577
Energy: 0.5782476950302899
Energy: 0.5290610810174147
Energy: 0.5288106988113378
Energy: 0.5781748222874368
Energy: 0.5304426620054742
Energy: 0.5290036248955298
Energy: 0.5781187097695611
Energy: 0.5291133769909516
Energy: 0.5784124081520094
Energy: 0.579239409296581
Energy: 0.5287466891720553
Energy: 0.5729924899287934
Energy: 0.605897850856773
Energy: 0.5817225569967743
Energy: 0.5774796375758456
Energy: 0.6060763987343137
Energy: 0.5680378223997928
Energy: 0.5769171340509491
Energy: 0.6065526702366595
Energy: 0.5406708219340647
Energy: 0.556403603820949
Energy: 0.6067435489489487
Energy: 0.5408164160561029
Energy: 0.5875253139519881
Energy: 0.5301401587992
Energy: 0.5427213091344453
Energy: 0.5866871522349878
Energy: 0.5301131450859699
Energy: 0.5511608413436276
Energy: 0.5939756437695229

minimum gb energy = 0.5281821035483075 eV
minimum distance =  2.54269301523067 Angstroms
sigma value = 57


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

Energy: 0.7317243945092614
Energy: 0.510617900719296
Energy: 0.5145074811220096
Energy: 0.7328103052698195
Energy: 0.5104275988864134
Energy: 0.5152909282348598
Energy: 0.5341873034183167
Energy: 0.5343324462663304
Energy: 0.5113160743498116
Energy: 0.5342515428529766
Energy: 0.5341041723288592
Energy: 0.5101648631856697
Energy: 0.5341171080363932
Energy: 0.5076160907860515
Energy: 0.5280555522067116
Energy: 0.5348397977348288
Energy: 0.5157956543060408
Energy: 0.5113130231233929
Energy: 0.5108981395643888
Energy: 0.511470855917727
Energy: 0.5146098978193092
Energy: 0.511603027821103
Energy: 0.5160252166470916
Energy: 0.5116575656346795
Energy: 0.521342794801448
Energy: 0.5336573777990674
Energy: 0.5115886626782907
Energy: 0.520511307728684
Energy: 0.535723871346865
Energy: 0.510764829014567
Energy: 0.5203971876076511
Energy: 0.5230278659459467
Energy: 0.5211538691502886
Energy: 0.5202424695604059
Energy: 0.5229438907890722
Energy: 0.5365024048805822
Energy: 0.5124494913930493
Energy: 0.5142218842767782
Energy: 0.5202288091598154
Energy: 0.5107809398142347
Energy: 0.5142012848318693
Energy: 0.511706832113044
Energy: 0.5358449508947061
Energy: 0.5200603045799702
Energy: 0.510709016068777
Energy: 0.5367453291060449
Energy: 0.5214556182488921
Energy: 0.511015895301951
Energy: 0.4985274379431098
Energy: 0.5115448860917643
Energy: 0.5142531715379932
Energy: 0.4985033235113771
Energy: 0.5137705469660266
Energy: 0.5141564886591241
Energy: 0.4983605086552329
Energy: 0.5343116576885236
Energy: 0.5143992602766684
Energy: 0.49831114506690194
Energy: 0.5353237858677055
Energy: 0.5141866303423648
Energy: 0.535642551541396
Energy: 0.5213870837074547
Energy: 0.5144435988934173
Energy: 0.5365145452168734
Energy: 0.5339924012440398
Energy: 0.5109595830697193
Energy: 0.5116988694637435
Energy: 0.6247645777097911
Energy: 0.5376670589298486
Energy: 0.5117746712725677
Energy: 0.6238622010965983
Energy: 0.5112972627442894
Energy: 0.5145787640295079
Energy: 0.5344571665348823
Energy: 0.5109905375146516
Energy: 0.5102030223371246
Energy: 0.5337768571150883
Energy: 0.5108441439428966
Energy: 0.628876779360895
Energy: 0.5346358020647282
Energy: 0.5349096200758708
Energy: 0.6299004478390917
Energy: 0.5355152499924041
Energy: 0.5125940243774191
Energy: 0.5212536028475074
Energy: 0.5140947621477557
Energy: 0.5107424541447119
Energy: 0.520602128804399
Energy: 0.5166658990030308
Energy: 0.531483947335393
Energy: 0.5341528399550171
Energy: 0.5143101305041011
Energy: 0.5136671246133355
Energy: 0.5349512084649374
Energy: 0.516521882459692
Energy: 0.5123266001057936
Energy: 0.4984418479935215
Energy: 0.5101671343019696
Energy: 0.5111847481233027
Energy: 0.4983794466516164
Energy: 0.5128983114117422
Energy: 0.5230064596939591

minimum gb energy = 0.49831114506690194 eV
minimum distance =  2.60134566981378 Angstroms
sigma value = 9


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

Energy: 0.84461646704613
Energy: 0.5808939474334659
Energy: 0.5708589723837104
Energy: 0.5691366121440921
Energy: 0.5801552671006492
Energy: 0.5690607639870374
Energy: 0.5868237760009364
Energy: 0.5722383959397341
Energy: 0.5758078235754535
Energy: 0.5868442655518438
Energy: 0.5702209772384693
Energy: 0.5638201475602919
Energy: 0.5899945849772714
Energy: 0.5673884558217367
Energy: 0.5697160233751918
Energy: 0.5882684206112362
Energy: 0.6198068144106543
Energy: 0.5658493402522626
Energy: 0.561559641542236
Energy: 0.5639194091351754
Energy: 0.5627693989338929
Energy: 0.5621431572037477
Energy: 0.5684893015801252
Energy: 0.5626651212354814
Energy: 0.5733154837007898
Energy: 0.5682589111145955
Energy: 0.5626515239727272
Energy: 0.5722146978294158
Energy: 0.5692130999156886
Energy: 0.5697648707242642
Energy: 0.5598536528258495
Energy: 0.5650186744159256
Energy: 0.560730144019116
Energy: 0.560790933314794
Energy: 0.5624075654692428
Energy: 0.5602277327011016
Energy: 0.5617047999953888
Energy: 0.6106979600069053
Energy: 0.5632767431081019
Energy: 0.5618864612417903
Energy: 0.6628956165429166
Energy: 0.5613128749444058
Energy: 0.5598068370653874
Energy: 0.5631515275631865
Energy: 0.560879278399582
Energy: 0.5607256983494012
Energy: 0.5514303291359056
Energy: 0.561098730934848
Energy: 0.5677691256076005
Energy: 0.5599649921557586
Energy: 0.5659343913349708
Energy: 0.5677810683765516
Energy: 0.559802875807081
Energy: 0.5694652401111373
Energy: 0.5674100136853992
Energy: 0.5605915984360693
Energy: 0.5723464028960515
Energy: 0.5695059453638666
Energy: 0.5599477470501915
Energy: 0.5634491519491117
Energy: 0.5602459463436325
Energy: 0.5622735260632983
Energy: 0.5601467579079916
Energy: 0.5608202291569835
Energy: 0.5632399414847893
Energy: 0.5618371693595408
Energy: 0.5694980349501312
Energy: 0.5733537206689999
Energy: 0.5709627699006857
Energy: 0.5704653736160011
Energy: 0.5716807128583224
Energy: 0.5763132219652415
Energy: 0.6649422807613473
Energy: 0.559702335026599
Energy: 0.5635908750401972
Energy: 0.6649572484604852
Energy: 0.5607299013799205
Energy: 0.5592839786725237
Energy: 0.5852013252463822
Energy: 0.5810293854310928
Energy: 0.5680750098963536
Energy: 0.585307513273474
Energy: 0.5870476561270112
Energy: 0.5626250823140866
Energy: 0.5685339643161046
Energy: 0.5600590204056617
Energy: 0.5607708464496213
Energy: 0.569480346784712
Energy: 0.5603371418661253
Energy: 0.5681322733881607
Energy: 0.5738171842725346
Energy: 0.5627256819558102
Energy: 0.5591331345182784
Energy: 0.5671298439342577
Energy: 0.5818607831424389
Energy: 0.5587689157401957
Energy: 0.5732258206817348
Energy: 0.5734091033741432
Energy: 0.5631672845086138
Energy: 0.5736595972949721
Energy: 0.5882051578092644
Energy: 0.5630383903553962
Energy: 0.6221347151491101
Energy: 0.5713186759370008
Energy: 0.5672627634375865
Energy: 0.620165323373103
Energy: 0.5684734603919263
Energy: 0.5746386800270715
Energy: 0.5710767519015637
Energy: 0.5644644736764032
Energy: 0.5637641657283321
Energy: 0.57154189690403
Energy: 0.5783815631098078
Energy: 0.563820436568876
Energy: 0.5865803892467086
Energy: 0.5717531035554954
Energy: 0.5634268090057675
Energy: 0.587097102518293
Energy: 0.5839778119118466
Energy: 0.5633660322280337
Energy: 0.5506717900246824
Energy: 0.5765812772012635
Energy: 0.5741170268419445
Energy: 0.5506522610108016
Energy: 0.5694884449092782
Energy: 0.5744865963592443

minimum gb energy = 0.5506522610108016 eV
minimum distance =  2.56979721676893 Angstroms
sigma value = 27


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

Energy: 0.5776460296229334
Energy: 0.5733928270076283
Energy: 0.5433255696303471
Energy: 0.5375212232563353
Energy: 0.7682870644413191
Energy: 0.5785379631295824
Energy: 0.6077743699099502
Energy: 0.5667941109462481
Energy: 0.5804883616607963
Energy: 0.5638080762851705
Energy: 0.5769461038729599
Energy: 0.6046452969720876
Energy: 0.6086188754292113
Energy: 0.6094503410038947
Energy: 0.5678453964188933
Energy: 0.578749239600603
Energy: 0.5530310642971208
Energy: 0.5916284746034883
Energy: 0.5943352368727518
Energy: 0.5717341937020359
Energy: 0.6051918258383483
Energy: 0.592959822712444
Energy: 0.6099151068665674
Energy: 0.5712430876457979
Energy: 0.568565980454206
Energy: 0.6068154947042813
Energy: 0.5796696071329738
Energy: 0.5688899507906453
Energy: 0.5950385567680273
Energy: 0.6118477527692479
Energy: 0.5972495522212186
Energy: 0.578690301529005
Energy: 0.5774368779589398
Energy: 0.5909889498635696
Energy: 0.5840421998314937
Energy: 0.5832999030797124
Energy: 0.594767530429445
Energy: 0.541541986135357
Energy: 0.5367517050862621
Energy: 0.5971962673016961
Energy: 0.5399282426265698
Energy: 0.5396457683238688
Energy: 0.6073102235379939
Energy: 0.5620001386945763
Energy: 0.5954623240774544
Energy: 0.6079315254485644
Energy: 0.5394179836508323
Energy: 0.5960082031700796
Energy: 0.5986145092486775
Energy: 0.5929489333451211
Energy: 0.5769957262526687
Energy: 0.5895229889986416
Energy: 0.5943411453609497
Energy: 0.5758757299376123
Energy: 0.5979613264451833
Energy: 0.5996955136752871
Energy: 0.5868512099683321
Energy: 0.6274704495263062
Energy: 0.5972879251778439
Energy: 0.5889414238780307
Energy: 0.6169058382620555
Energy: 0.5991901194635629
Energy: 0.6151466894795167
Energy: 0.6172656360662624
Energy: 0.5622594963753933
Energy: 0.6123949401414894
Energy: 0.5872176922276721
Energy: 0.5856717139297359
Energy: 0.5761160482676987
Energy: 0.5824300680832591
Energy: 0.5916510470663217
Energy: 0.5777697613437108
Energy: 0.5412438724351337
Energy: 0.5892156664399028
Energy: 0.5388330297394263
Energy: 0.5363910560144642
Energy: 0.5940600149300787
Energy: 0.5397697475828602
Energy: 0.548816446940545
Energy: 0.6004577908330134
Energy: 0.6066345861741166
Energy: 0.5495368429884802
Energy: 0.610902228692311
Energy: 0.5611519697867375
Energy: 0.5890711344454802
Energy: 0.5759614426970179
Energy: 0.5758855340911512
Energy: 0.5847323591279514
Energy: 0.593256177523894
Energy: 0.5778511827695448
Energy: 0.5977582853186106
Energy: 0.5951151113059971
Energy: 0.5946425725833441
Energy: 0.596980063170453
Energy: 0.6132027752297284
Energy: 0.5946967456624844
Energy: 0.5518730181354035
Energy: 0.6145305944157367
Energy: 0.6116682670025948
Energy: 0.5519072191764113
Energy: 0.6170296281156656
Energy: 0.6098939757974924
Energy: 0.5805957719303684
Energy: 0.5797213532502999
Energy: 0.5748176652981647
Energy: 0.5804923697069744
Energy: 0.5824839371175367
Energy: 0.5775545089088269
Energy: 0.5897838507234666
Energy: 0.5561746272090335
Energy: 0.5637571369211891
Energy: 0.5905361951498819
Energy: 0.536688767869343
Energy: 0.5618168837507577
Energy: 0.6079461390421638
Energy: 0.5562594663447817
Energy: 0.5636592001268181
Energy: 0.6015886466469702
Energy: 0.5366519679028414
Energy: 0.561921773332115
Energy: 0.5992001116620294
Energy: 0.5840345582230138
Energy: 0.5760427076584342
Energy: 0.5879511674871053
Energy: 0.5833825382285435
Energy: 0.5755912642210905
Energy: 0.5640924202758968
Energy: 0.5980904014648583
Energy: 0.6025318719230693
Energy: 0.5643272637110017
Energy: 0.6026894148879296
Energy: 0.5976544234026682
Energy: 0.6174975447421668
Energy: 0.5719809753255731
Energy: 0.624216476647965
Energy: 0.6270983366417674
Energy: 0.5998979832188609
Energy: 0.5783495429715149
Energy: 0.6071584357576572
Energy: 0.60020079579377
Energy: 0.5705334742637707
Energy: 0.5744516239084506
Energy: 0.5564933387975758
Energy: 0.5959338852869803
Energy: 0.5838990877715746
Energy: 0.5591345799125601
Energy: 0.5685160765842515
Energy: 0.5498210567531805
Energy: 0.5566966065518357
Energy: 0.5817305776150634

minimum gb energy = 0.5363910560144642 eV
minimum distance =  2.5792608317735 Angstroms
sigma value = 19


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

Energy: 0.8047574894609034
Energy: 0.6301427949907511
Energy: 0.606719853794386
Energy: 0.7020434124946608
Energy: 0.6211637426670826
Energy: 0.6071264085608015
Energy: 0.6297688532114241
Energy: 0.5743455825456641
Energy: 0.5731261143410937
Energy: 0.6291216060444247
Energy: 0.5741286757320583
Energy: 0.5865342322307616
Energy: 0.5771290131560546
Energy: 0.5407025327901765
Energy: 0.5407834953786074
Energy: 0.5771758534580219
Energy: 0.5409843002423097
Energy: 0.5902795019097544
Energy: 0.5732613937170998
Energy: 0.5865668932309185
Energy: 0.5871053635835444
Energy: 0.5725898321641149
Energy: 0.5746261119740017
Energy: 0.5866876663633831
Energy: 0.5475240112323674
Energy: 0.57731588027581
Energy: 0.5770982634005011
Energy: 0.5486128677252285
Energy: 0.577332293194604
Energy: 0.5407444558193124
Energy: 0.5730250271823841
Energy: 0.5881758236800146
Energy: 0.587290974106797
Energy: 0.5734614751359381
Energy: 0.6013809913442203
Energy: 0.58726900889672
Energy: 0.5695199696887533
Energy: 0.6046532651234628
Energy: 0.5887001573351854
Energy: 0.569484303739205
Energy: 0.566895508234245
Energy: 0.566106961426572
Energy: 0.5732461008903049
Energy: 0.5820623437519296
Energy: 0.5867162250084325
Energy: 0.5739866579916225
Energy: 0.5750772142235118
Energy: 0.5748668203333813
Energy: 0.5410605406227195
Energy: 0.5774339169004357
Energy: 0.5810747431947961
Energy: 0.5409858085705358
Energy: 0.5773348870891694
Energy: 0.5860532568373132
Energy: 0.5405479077779641
Energy: 0.5735846707080963
Energy: 0.5829203844391848
Energy: 0.5406651022559552
Energy: 0.5738903370388758
Energy: 0.5839703266196854
Energy: 0.5671195520299807
Energy: 0.5315572351477704
Energy: 0.5316293884273137
Energy: 0.5670734945928754
Energy: 0.5338486771279598
Energy: 0.5715899245184632
Energy: 0.5917610632308827
Energy: 0.5742777473067913
Energy: 0.5837245212525995
Energy: 0.592771151104098
Energy: 0.5654581166730024
Energy: 0.5815364086524917
Energy: 0.6499922192113639
Energy: 0.5772705004989067
Energy: 0.5686663957191436
Energy: 0.5495242684610182
Energy: 0.5773197700480269
Energy: 0.5688373005872559
Energy: 0.5731836546514056
Energy: 0.5722998193008592
Energy: 0.5735988749759703
Energy: 0.5731930711504976
Energy: 0.5716179058721792
Energy: 0.5747156961735291
Energy: 0.5771323422805762
Energy: 0.5312555220410898
Energy: 0.5682619573425137
Energy: 0.5771480346181227
Energy: 0.5309571076272013
Energy: 0.5695673314028425
Energy: 0.5772570103539011
Energy: 0.5433116779033796
Energy: 0.5784418030630574
Energy: 0.5782990589690725
Energy: 0.5313347436426593
Energy: 0.5761072434013992
Energy: 0.665206570570168
Energy: 0.5649059989366945
Energy: 0.5658498261419335
Energy: 0.5325248114901538
Energy: 0.5647093020603018
Energy: 0.5688577279431732
Energy: 0.5833372354492531
Energy: 0.5701158045573292
Energy: 0.5707588543011141
Energy: 0.5838540678772997
Energy: 0.5776896378910106
Energy: 0.5721980102042259
Energy: 0.5776562868103713
Energy: 0.5297862453744595
Energy: 0.5753352905598851
Energy: 0.5776037450300858
Energy: 0.5301073619952356
Energy: 0.569708140491007
Energy: 0.5656181226491355
Energy: 0.5640094505641524
Energy: 0.5781853482170403
Energy: 0.5662989578503609
Energy: 0.530443312244977
Energy: 0.5698073528207489
Energy: 0.5348316688863938
Energy: 0.5768011525309297
Energy: 0.5706024067107145
Energy: 0.5355363647978426
Energy: 0.5774147518505273
Energy: 0.5749666584250427
Energy: 0.5426998394975575
Energy: 0.5849355968425647
Energy: 0.5799539002239412
Energy: 0.5429571329026569
Energy: 0.5937499559935446
Energy: 0.576599586151397
Energy: 0.5700342838279343
Energy: 0.5274733788053348
Energy: 0.5714506482547238
Energy: 0.5701243519494551
Energy: 0.5274174770947366
Energy: 0.5679847113143618
Energy: 0.5734619331701305
Energy: 0.5620033219901721
Energy: 0.5701404294338519
Energy: 0.5734653929041732
Energy: 0.5274368340229306
Energy: 0.5683003549451914
Energy: 0.5834128837660136
Energy: 0.5783196502574188
Energy: 0.579448500320931
Energy: 0.5867519271607774
Energy: 0.5922053011388976
Energy: 0.5790997343009935
Energy: 0.5621459557256923
Energy: 0.5670527610863962
Energy: 0.5704796220964327
Energy: 0.5394710289698078
Energy: 0.5671498586070689
Energy: 0.5747774731931434
Energy: 0.5737736395960048
Energy: 0.5412411537417685
Energy: 0.5901587088368159
Energy: 0.5748276792059275
Energy: 0.540449131345505
Energy: 0.5742452319716247
Energy: 0.5741032663011233
Energy: 0.540505108896912
Energy: 0.5818852768646197
Energy: 0.573939839473582
Energy: 0.55647585876405
Energy: 0.5827712197780005
Energy: 0.594749069307167
Energy: 0.5729009891343774
Energy: 0.5744478342689859
Energy: 0.5655652609693559
Energy: 0.5727899691880293
Energy: 0.5683671225290055

minimum gb energy = 0.5274174770947366 eV
minimum distance =  2.5590652662688 Angstroms
sigma value = 101


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

Energy: 0.7616986392890435
Energy: 0.5445287675856167
Energy: 0.5863695725583924
Energy: 0.7628017905446207
Energy: 0.544968825860018
Energy: 0.4992812747440554
Energy: 0.6231247416323437
Energy: 0.5680315476164742
Energy: 0.5740029015971239
Energy: 0.5867722852163418
Energy: 0.5634795342964833
Energy: 0.5720527060421764
Energy: 0.5720607860790099
Energy: 0.5102580418126313
Energy: 0.5100496528239916
Energy: 0.5720535787816295
Energy: 0.5112828566864371
Energy: 0.55659572123259
Energy: 0.5628323464498137
Energy: 0.5728554934210492
Energy: 0.5732109975971668
Energy: 0.5635606214829426
Energy: 0.5657379441751311
Energy: 0.5726298655720853
Energy: 0.5184416055139129
Energy: 0.5724550978057193
Energy: 0.5703108213103774
Energy: 0.5197853714477255
Energy: 0.5733226309056217
Energy: 0.5180885759358466
Energy: 0.5426518876759644
Energy: 0.572473503046592
Energy: 0.5725557372134015
Energy: 0.5428466026444724
Energy: 0.5865123453438358
Energy: 0.5733750751881662
Energy: 0.5694621772071907
Energy: 0.5449504983135915
Energy: 0.522965377521547
Energy: 0.5695808254273655
Energy: 0.5441157491289043
Energy: 0.5338809747124291
Energy: 0.56226408549226
Energy: 0.5719927801177761
Energy: 0.5726812438932914
Energy: 0.5629547226679134
Energy: 0.5657670016429176
Energy: 0.5635956564582608
Energy: 0.5111649250746219
Energy: 0.5717991012352359
Energy: 0.5439789216447025
Energy: 0.5118514008717036
Energy: 0.57194745417567
Energy: 0.5100674468334805
Energy: 0.5103557904701961
Energy: 0.5730415712719705
Energy: 0.5755505875109816
Energy: 0.5101803644635071
Energy: 0.5736560843324212
Energy: 0.5759597907555754
Energy: 0.5623284544792125
Energy: 0.49771604685017884
Energy: 0.4977144509611737
Energy: 0.5621893077283645
Energy: 0.5005391681819052
Energy: 0.5587177180693815
Energy: 0.5720902560841649
Energy: 0.5752005805631328
Energy: 0.576945690573709
Energy: 0.5729081383416794
Energy: 0.5513651425885782
Energy: 0.57448164638673
Energy: 0.6138013389202408
Energy: 0.5719776886036857
Energy: 0.5727484740968342
Energy: 0.6150720120038261
Energy: 0.5730737098126903
Energy: 0.5701951889324538
Energy: 0.5454782483818623
Energy: 0.5623731503109821
Energy: 0.5720043987175963
Energy: 0.5773957285282738
Energy: 0.5634987336267054
Energy: 0.570549707545686
Energy: 0.5721082983015409
Energy: 0.5107671592008959
Energy: 0.5098281376760678
Energy: 0.5729112711902874
Energy: 0.5116780914203806
Energy: 0.5663546905552018
Energy: 0.5861730937900184
Energy: 0.5219473353775299
Energy: 0.5626764266191283
Energy: 0.586041788738449
Energy: 0.5113427607620316
Energy: 0.5733262753864632
Energy: 0.7020809115930674
Energy: 0.5631358004548217
Energy: 0.5658355777830664
Energy: 0.7016328658731065
Energy: 0.5625250388441236
Energy: 0.5429220036274701
Energy: 0.5775400573257051
Energy: 0.5624143239099041
Energy: 0.5658835295229888
Energy: 0.5774434642772787
Energy: 0.5623253602089193
Energy: 0.5727195622272877
Energy: 0.5722415246923013
Energy: 0.5098707540684205
Energy: 0.5099271029772513
Energy: 0.5722346510268259
Energy: 0.5099201103333219
Energy: 0.5634375585203023
Energy: 0.5617748282570021
Energy: 0.5095833116063171
Energy: 0.5728273129582282
Energy: 0.5625869222668246
Energy: 0.5098272185789546
Energy: 0.5738833405998004
Energy: 0.5200344377643752
Energy: 0.562610457119127
Energy: 0.5656044091442072
Energy: 0.5211376948124818
Energy: 0.5623207680278788
Energy: 0.5186647532388715
Energy: 0.5401140187385044
Energy: 0.5745550121966541
Energy: 0.574094117920725
Energy: 0.5411039788020963
Energy: 0.5873553579424549
Energy: 0.5726385518177418
Energy: 0.5626488424333951
Energy: 0.5463690022493932
Energy: 0.546415097870883
Energy: 0.5625097921387616
Energy: 0.5480516329262906
Energy: 0.5664498072428138
Energy: 0.5631477919868476
Energy: 0.5728416510914233
Energy: 0.570410576466371
Energy: 0.5624147919152708
Energy: 0.5474437347208178
Energy: 0.5661078055816982
Energy: 0.523973064143912
Energy: 0.5827583182395083
Energy: 0.5738637016038939
Energy: 0.5144913342293042
Energy: 0.5863665046723527
Energy: 0.5651025063825752
Energy: 0.5110542237461448
Energy: 0.5709525565384955
Energy: 0.5725004038135714
Energy: 0.5116678179307106
Energy: 0.5741633127399735
Energy: 0.575828942630678
Energy: 0.5635762301956713
Energy: 0.4973483216638392
Energy: 0.5681024868989064
Energy: 0.5622369544206868
Energy: 0.5008266835005096
Energy: 0.5666345177776432
Energy: 0.5743771811776149
Energy: 0.4978653977807654
Energy: 0.5694301685765285
Energy: 0.5723676249598671
Energy: 0.4974629110323085
Energy: 0.5698380601593683
Energy: 0.547075021827285
Energy: 0.5723734878209571
Energy: 0.5708645203477659
Energy: 0.5082211181104825
Energy: 0.5721417964604709
Energy: 0.5701678584068129
Energy: 0.5461397334295054
Energy: 0.5618060140076286
Energy: 0.56381231598975
Energy: 0.508719732716756
Energy: 0.5631818308895882
Energy: 0.5702440565591621
Energy: 0.5733148535763982
Energy: 0.5098460454798998
Energy: 0.5107959929015014
Energy: 0.5742663474443817
Energy: 0.5097749542709873
Energy: 0.5742052581174071
Energy: 0.5875711653229517
Energy: 0.5215994059080483
Energy: 0.5432780422599571
Energy: 0.5876122005334145
Energy: 0.5221633437008584
Energy: 0.5652631865434661
Energy: 0.6360271038575281
Energy: 0.5623497911169634
Energy: 0.5678824037593972
Energy: 0.49675934420017315
Energy: 0.5622504325524892
Energy: 0.5709521637700319

minimum gb energy = 0.49675934420017315 eV
minimum distance =  2.56883893723123 Angstroms
sigma value = 33


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

Energy: 0.011713306566490054
Energy: 0.5236467113365066
Energy: 0.012467911481954363
Energy: 0.013135527429803995
Energy: 0.5208840215889748
Energy: 0.012135074675187905
Energy: 0.2391207137894103
Energy: 0.06347452635064153
Energy: 0.06206731215904625
Energy: 0.06152921618230818
Energy: 0.06149750248146811
Energy: 0.06184584113472478
Energy: 0.6957608660290412
Energy: 0.5230735053883562
Energy: 0.5211291668925638
Energy: 0.5210483544556915
Energy: 0.5207317323478369
Energy: 0.5210680874553292
Energy: 0.013589778548329432
Energy: 0.06347452635030693
Energy: 0.06206731215904625
Energy: 0.06152921618197359
Energy: 0.06149750248146811
Energy: 0.061845841134370486

minimum gb energy = 0.011713306566490054 eV
minimum distance =  2.82305298506182 Angstroms
sigma value = 1