Model name: model_name=Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.149889349937439
cohesive_energy=3.8615287066971016
mass=196.9665
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=[2.29641579127854e-19, 2.51596205543556e-19, 3.29280943996314e-19, 3.63314380055742e-19, 3.97480796775792e-19, 4.31925992230158e-19, 4.555837324078019e-19, 4.69644434547786e-19, 4.847641754428439e-19, 5.04209793249702e-19, 5.25047702551506e-19, 5.441792937380999e-19, 5.59414391350806e-19, 5.709612783520439e-19, 5.803227964245059e-19, 5.883128512982639e-19, 5.952999435991379e-19, 6.01261642854252e-19, 6.0616750770756e-19, 6.10264273360698e-19, 6.136480704117059e-19, 6.162884575045379e-19, 6.18034830035598e-19, 6.18637248449982e-19, 6.179403016141919e-19, 6.15703663033128e-19, 6.11755899806952e-19, 6.05746135252818e-19, 5.9699504647791e-19, 5.84832923649216e-19, 5.68870437844674e-19, 5.4865737743013e-19, 5.22932829394626e-19, 4.891333111237619e-19, 4.43197304850348e-19, 3.6926165972114997e-19, 1.77732658362888e-19, -5.429103698439719e-20, -3.33994547653542e-19, -6.655682064131099e-19, -1.0694080422492479e-18, -1.60712735979906e-18, -2.3914408874410796e-18, -3.5557106038362e-18, -5.270055623982539e-18, -8.40380096772216e-18, -1.452498088498452e-17, -1.6163238536782197e-17, -1.73831358259098e-17, -1.9125182480058e-17, -2.1425107038164998e-17, -2.4560887146229798e-17, -2.97274261378896e-17, -3.9839884398707396e-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: 0.011300662360555169
Energy: 0.012878517750302694
Energy: 0.011888639404978361
Energy: 0.012690967774424277
Energy: 0.16418027737843655
Energy: 0.01196675075971289
Energy: 0.012878517750540669
Energy: 0.037002153356194244
Energy: 0.036949535083805704
Energy: 0.03672219485176174
Energy: 0.036699370995499095
Energy: 0.03693817795750364
Energy: 0.011888639406829273
Energy: 0.03694953508520711
Energy: 0.03753555249131551
Energy: 0.012069238410312527
Energy: 0.036812973514950074
Energy: 0.037370882771040635
Energy: 0.01269096777397477
Energy: 0.03672219484967285
Energy: 0.01206923840729818
Energy: 0.013256377841630524
Energy: 0.0367369049819089
Energy: 0.011811378761327831
Energy: 0.164180277379362
Energy: 0.036699370996662525
Energy: 0.03681297351656302
Energy: 0.03673690498331031
Energy: 0.036713202827412514
Energy: 0.036982181025158704
Energy: 0.011966750758549456
Energy: 0.036938177953325865
Energy: 0.037370882771490144
Energy: 0.011811378793877492
Energy: 0.036982181021906375
Energy: 0.012044681732005607

minimum gb energy = 0.011300662360555169 eV
minimum distance =  2.92274094446308 Angstroms
sigma value = 1


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

Energy: 0.6219449544185814
Energy: 0.422291561226182
Energy: 0.4308178471857619
Energy: 0.4468406567938137
Energy: 0.5828662094662638
Energy: 0.4312389278429521
Energy: 0.5651222019756224
Energy: 0.43349476890667515
Energy: 0.43574943323038406
Energy: 0.4249071621381762
Energy: 0.432171344437753
Energy: 0.4298227121294699
Energy: 0.5864694626195283
Energy: 0.4349553694827947
Energy: 0.4360927184129274
Energy: 0.42164142135819715
Energy: 0.43416670469160334
Energy: 0.415024101622759
Energy: 0.5841304388891406
Energy: 0.42448596229381086
Energy: 0.4250764903017866
Energy: 0.4286223178201287
Energy: 0.4284322259290728
Energy: 0.41949961094577576
Energy: 0.5562769433754293
Energy: 0.42775115086784027
Energy: 0.42774471221692706
Energy: 0.4262458031405803
Energy: 0.43490369326121536
Energy: 0.4281919901395628
Energy: 0.5521573519472561
Energy: 0.435416363959794
Energy: 0.4311552502837838
Energy: 0.42616040210291917
Energy: 0.42943080451932575
Energy: 0.42743307642828776
Energy: 0.55228770915704
Energy: 0.4185148073702509
Energy: 0.4270370841135981
Energy: 0.43421654133100485
Energy: 0.44548799403066774
Energy: 0.4270771284581745
Energy: 0.5450279591502246
Energy: 0.4286155970431723
Energy: 0.45322391874499446
Energy: 0.4458148773769067
Energy: 0.43189481273618546
Energy: 0.4424175651660736
Energy: 0.47566253126022223
Energy: 0.42969736891841054
Energy: 0.4242673739302777
Energy: 0.43523575057594166
Energy: 0.43351310629816214
Energy: 0.4284475290601596
Energy: 0.4776104023600644
Energy: 0.4251405895462903
Energy: 0.4204514256468972
Energy: 0.4236595168257194
Energy: 0.42450249028384307
Energy: 0.43591439127588266
Energy: 0.4680190071063119
Energy: 0.4435529621988887
Energy: 0.49035146510577043
Energy: 0.41861758660909165
Energy: 0.4442995737582354
Energy: 0.4328321721624188
Energy: 0.4326848111120812
Energy: 0.43687175914310555
Energy: 0.4081496381963603
Energy: 0.4318392740831003
Energy: 0.4232702125633312
Energy: 0.4362782015104447
Energy: 0.4347107865815603
Energy: 0.4354808997309283
Energy: 0.42027010192811015
Energy: 0.4340043725795272
Energy: 0.425227633466036
Energy: 0.42911492804614443
Energy: 0.446383241390735
Energy: 0.42883786614320535
Energy: 0.4342743615361802
Energy: 0.421842966480448
Energy: 0.4308063750790192
Energy: 0.4252009195145721
Energy: 0.44885119837611753
Energy: 0.42736930006908497
Energy: 0.4189178866076854
Energy: 0.4382380298192971
Energy: 0.4233469708899465
Energy: 0.4307618386944439
Energy: 0.4516280783133748
Energy: 0.4303010186339634
Energy: 0.41450310268998014
Energy: 0.43736780140046133
Energy: 0.4304946140033506
Energy: 0.4319726070871133
Energy: 0.5614151461339896
Energy: 0.42858576555674244
Energy: 0.42603711594578686
Energy: 0.4420308708102661
Energy: 0.43619630882450466
Energy: 0.4261190967758807
Energy: 0.5161387962071825
Energy: 0.44055812603359856
Energy: 0.4256155026457784
Energy: 0.4329873478562234
Energy: 0.44130789879667365
Energy: 0.42569151660590804
Energy: 0.5145548298645944
Energy: 0.4314582669308351
Energy: 0.42769995993660037
Energy: 0.43316762358093036
Energy: 0.4316439620828578
Energy: 0.42724112884960375
Energy: 0.547375594383999
Energy: 0.4274316346839932
Energy: 0.4274218552636497
Energy: 0.4444809202298005
Energy: 0.4342686961946844
Energy: 0.42700158750366196
Energy: 0.5715396228075513
Energy: 0.4374326192623834
Energy: 0.4393606593991126
Energy: 0.43769152701546865
Energy: 0.44477915123683065
Energy: 0.46413341140502157
Energy: 0.5725777513468889
Energy: 0.43518996572515595
Energy: 0.4331102351546553
Energy: 0.4281479029858898
Energy: 0.43556692364078314
Energy: 0.42488116620281086
Energy: 0.5650228097140112
Energy: 0.4259265082286145
Energy: 0.4248015770778093
Energy: 0.42161665956010796
Energy: 0.42478601796789245
Energy: 0.43010312027131514

minimum gb energy = 0.4081496381963603 eV
minimum distance =  2.71371545434765 Angstroms
sigma value = 33


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

Energy: 0.7296747790608249
Energy: 0.4348275521822349
Energy: 0.4363228961784264
Energy: 0.4364259571068691
Energy: 0.6062674246737356
Energy: 0.4381922837891066
Energy: 0.5884047650641467
Energy: 0.4480881771376144
Energy: 0.44531924895991154
Energy: 0.4372787128158483
Energy: 0.4463672850275627
Energy: 0.4418451398756742
Energy: 0.5703367124009686
Energy: 0.4448629534365728
Energy: 0.444357277308795
Energy: 0.4369887608099409
Energy: 0.4502375715513867
Energy: 0.44476476943929794
Energy: 0.5557524408385014
Energy: 0.4407715224479881
Energy: 0.4417208630615169
Energy: 0.42187305909243106
Energy: 0.4661030405340704
Energy: 0.4368919016658016
Energy: 0.5301672812030619
Energy: 0.4468888426263335
Energy: 0.4455139382170079
Energy: 0.44035195800098015
Energy: 0.43276820533756716
Energy: 0.44510583097301676
Energy: 0.5525913647799983
Energy: 0.44010769298285884
Energy: 0.4418474040625362
Energy: 0.429839214603489
Energy: 0.4471888716188835
Energy: 0.42525517537443314
Energy: 0.5521800008286695
Energy: 0.4414902291142715
Energy: 0.43891006311402386
Energy: 0.42932682818133283
Energy: 0.44473722783442887
Energy: 0.4382858884045306
Energy: 0.5267943587524023
Energy: 0.43165554204614043
Energy: 0.44541645647772876
Energy: 0.4460651286041458
Energy: 0.43330403984895954
Energy: 0.4409906811275512
Energy: 0.48299916763560186
Energy: 0.440226472878444
Energy: 0.4286564456918401
Energy: 0.43860809680947516
Energy: 0.44002359550967196
Energy: 0.4382416215424489
Energy: 0.48241374701781636
Energy: 0.4327143486681109
Energy: 0.4370711424788229
Energy: 0.44583839449673857
Energy: 0.43364769976776285
Energy: 0.43906633277523266
Energy: 0.47580291172269074
Energy: 0.4394065296266957
Energy: 0.4282168213255257
Energy: 0.4598987952777489
Energy: 0.441300631340565
Energy: 0.4419188834322224
Energy: 0.44725488197932506
Energy: 0.42953489783681587
Energy: 0.43207931032883495
Energy: 0.4408686276149281
Energy: 0.43198894600914756
Energy: 0.438312160865412
Energy: 0.4502624694054368
Energy: 0.4363314204082113
Energy: 0.4277904134184236
Energy: 0.4428999325538735
Energy: 0.4357747660394757
Energy: 0.437290182003613
Energy: 0.513349216708025
Energy: 0.4399553443132091
Energy: 0.4468811462326557
Energy: 0.4324886580418835
Energy: 0.4368534031022233
Energy: 0.437297567717295
Energy: 0.48218783467050846
Energy: 0.43683706090286184
Energy: 0.4348831996207339
Energy: 0.44606639440595613
Energy: 0.4353733115741271
Energy: 0.44680617400429984
Energy: 0.4848622380463283
Energy: 0.43643494698997476
Energy: 0.4289967704067893
Energy: 0.443260810313726
Energy: 0.43079811989936845
Energy: 0.44566075575633063
Energy: 0.4842632026303474
Energy: 0.43717310729623277
Energy: 0.4384581759523576
Energy: 0.42319491805129916
Energy: 0.4272584960538111
Energy: 0.4384353209070063
Energy: 0.5180775279048198
Energy: 0.4411746834753434
Energy: 0.44197346171656665
Energy: 0.4333359739492742
Energy: 0.4407285610026776
Energy: 0.43891013072021307
Energy: 0.5191416485485809
Energy: 0.4433331409335703
Energy: 0.4454632848326862
Energy: 0.43282194277165287
Energy: 0.4456744743186301
Energy: 0.43306698889250567
Energy: 0.5482098323780932
Energy: 0.4395942779589406
Energy: 0.4411338515423371
Energy: 0.4345027111322883
Energy: 0.4404367039073866
Energy: 0.4355551068119941
Energy: 0.5744258215776261
Energy: 0.48753164296973156
Energy: 0.43661490176677326
Energy: 0.40766065247539585
Energy: 0.44121727399737165
Energy: 0.43919262488230015
Energy: 0.6027273512997017
Energy: 0.43905187827549397
Energy: 0.43591967386114205
Energy: 0.43074906450464284
Energy: 0.43777270276468166
Energy: 0.4321842268866533
Energy: 0.5442358947716351
Energy: 0.44400589636933036
Energy: 0.43937397329604816
Energy: 0.4396743449844281
Energy: 0.44272247082594374
Energy: 0.4308640128740663
Energy: 0.5600977941035
Energy: 0.43374051015350873
Energy: 0.44181739874166065
Energy: 0.43887094258104026
Energy: 0.44068446673943173
Energy: 0.48998843940247677
Energy: 0.5403495680357568
Energy: 0.441046198570594
Energy: 0.4413972015031658
Energy: 0.44082482913214804
Energy: 0.43918678863676364
Energy: 0.431783273217651
Energy: 0.5510680792930797
Energy: 0.44160363892850685
Energy: 0.44180140508478466
Energy: 0.44104378435819697
Energy: 0.43554845477845683
Energy: 0.441343048385626
Energy: 0.5486352967172384
Energy: 0.43997972605118535
Energy: 0.4413505576472256
Energy: 0.43082946683912393
Energy: 0.4287256647365346
Energy: 0.42586545914518215
Energy: 0.5265550266038301
Energy: 0.4407693415964584
Energy: 0.44134160818576723
Energy: 0.43986361260143103
Energy: 0.4337739309116159
Energy: 0.44104839363380505
Energy: 0.48465068482876833
Energy: 0.42977854910754953
Energy: 0.43428211898233343
Energy: 0.4417489196858769
Energy: 0.4383021918046817
Energy: 0.4419055280393406
Energy: 0.4789711214436678
Energy: 0.4321340078094506
Energy: 0.4369185661257984
Energy: 0.43854976696641335
Energy: 0.43874687584580696
Energy: 0.43925459955907387
Energy: 0.4699597758708438
Energy: 0.42897011251583445
Energy: 0.43190909295028357
Energy: 0.44183452595118033
Energy: 0.4013524792706023
Energy: 0.4340417158909688
Energy: 0.4517607915271195
Energy: 0.4286282091323704
Energy: 0.42248391378402655
Energy: 0.43569966462922216
Energy: 0.42927476585230073
Energy: 0.43474534972983825
Energy: 0.4495124675114575
Energy: 0.43191339069676293
Energy: 0.4342881187386124
Energy: 0.44125658967876596
Energy: 0.4388443372530551
Energy: 0.4428116645073563
Energy: 0.4510595542936192
Energy: 0.44631371952007415
Energy: 0.49339279318905505
Energy: 0.4458823394828425
Energy: 0.43860874908196446
Energy: 0.48933520700717603
Energy: 0.48716610371122687
Energy: 0.43406387120940176
Energy: 0.43605772786386887
Energy: 0.44117311634966716
Energy: 0.43901556102451916
Energy: 0.43668487339803536
Energy: 0.48332224879422886
Energy: 0.44117009113876005
Energy: 0.4241374072438807
Energy: 0.4434171653324928
Energy: 0.4387179582353049
Energy: 0.45101216285224804
Energy: 0.4872260849250041
Energy: 0.44507869733479244
Energy: 0.44420442247655945
Energy: 0.44549346263287865
Energy: 0.4405336792778318
Energy: 0.44448665281296684
Energy: 0.5195942644579454
Energy: 0.4323288461844485
Energy: 0.43275723548152994
Energy: 0.4359620991905424
Energy: 0.43241885528979546
Energy: 0.44462480485233535
Energy: 0.5181244814181354
Energy: 0.4469855928439778
Energy: 0.44736604453855505
Energy: 0.43284093944714447
Energy: 0.4502337499089861
Energy: 0.44012417131668696
Energy: 0.5282174394549651
Energy: 0.4457072560957666
Energy: 0.447852598183289
Energy: 0.43686814120970763
Energy: 0.4462896571174011
Energy: 0.443849120425987
Energy: 0.5923485336865889
Energy: 0.45037285652497294
Energy: 0.44095167764450305
Energy: 0.435999643274569
Energy: 0.43565128772195766
Energy: 0.4290374982769682

minimum gb energy = 0.4013524792706023 eV
minimum distance =  2.69724589206894 Angstroms
sigma value = 51


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

Energy: 0.6425409162244707
Energy: 0.4197563722359735
Energy: 0.42319116415581853
Energy: 0.3901983533689718
Energy: 0.6128965174844047
Energy: 0.4620281349195782
Energy: 0.5571634754955878
Energy: 0.44181923395463857
Energy: 0.4418194213654399
Energy: 0.4268950499470381
Energy: 0.44832729057349563
Energy: 0.44204645029601547
Energy: 0.5440455664687603
Energy: 0.44168186979303853
Energy: 0.4415960932787795
Energy: 0.43113587133843123
Energy: 0.4422479430495781
Energy: 0.44152643926673124
Energy: 0.5431985747679864
Energy: 0.4056648020203926
Energy: 0.42388028887467116
Energy: 0.457574694704222
Energy: 0.40857161485024607
Energy: 0.4387036528993315
Energy: 0.5075362993737865
Energy: 0.4524454563121843
Energy: 0.4449450580235862
Energy: 0.4285098958975419
Energy: 0.4504890861684111
Energy: 0.4446051460787947
Energy: 0.508194477751236
Energy: 0.4549088300592837
Energy: 0.45513492703615616
Energy: 0.4357680395276185
Energy: 0.435264424991846
Energy: 0.4438973841576743
Energy: 0.5072732631531142
Energy: 0.42891667589132326
Energy: 0.43951912275914595
Energy: 0.435539033969115
Energy: 0.4284181266971062
Energy: 0.4399501174090114
Energy: 0.4877409664515025
Energy: 0.3868618213153499
Energy: 0.41185663866634864
Energy: 0.4555457517795447
Energy: 0.4444120227593475
Energy: 0.4146358192013371
Energy: 0.4427273272902126
Energy: 0.44678810573370764
Energy: 0.4131071751018749
Energy: 0.4433065364741795
Energy: 0.38575085051513
Energy: 0.4420763404053848
Energy: 0.44565807980007155
Energy: 0.4172278915771495
Energy: 0.4312893051169108
Energy: 0.44612718376884625
Energy: 0.4285840287236073
Energy: 0.4414481791929712
Energy: 0.4673768238778036
Energy: 0.4109912671844794
Energy: 0.44599859036267897
Energy: 0.465867353347169
Energy: 0.4322971595243686
Energy: 0.45062552316664284
Energy: 0.4662991970821487
Energy: 0.42776467018792586
Energy: 0.43142733461333005
Energy: 0.43315581133930625
Energy: 0.4231191508256934
Energy: 0.43156942080166694
Energy: 0.4670893237999114
Energy: 0.4398145287867014
Energy: 0.43924202237450394
Energy: 0.45113130113887856
Energy: 0.4310824968660425
Energy: 0.447303886732391
Energy: 0.46645312613970047
Energy: 0.4072427894118998
Energy: 0.40728856859419815
Energy: 0.43557609625562355
Energy: 0.4232667085019648
Energy: 0.4099674129628376
Energy: 0.5327916189353403
Energy: 0.4406077595318716
Energy: 0.4411290032770673
Energy: 0.4293397369283879
Energy: 0.4090663865989117
Energy: 0.4430846598934665
Energy: 0.5277696220454416
Energy: 0.4543628619857601
Energy: 0.44006877833527713
Energy: 0.419653125697323
Energy: 0.45355538807881035
Energy: 0.42314839584717817
Energy: 0.526723661490349
Energy: 0.4494253559319084
Energy: 0.44990980993451496
Energy: 0.4343859466960536
Energy: 0.44964353647774274
Energy: 0.44812025992482746
Energy: 0.5611523108153714
Energy: 0.45002157307186624
Energy: 0.44597860503531234
Energy: 0.49105805392987023
Energy: 0.4319294810095092
Energy: 0.43773081488393417

minimum gb energy = 0.38575085051513 eV
minimum distance =  2.71545961826381 Angstroms
sigma value = 19


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

Energy: 0.5423718228423099
Energy: 0.42997623774216
Energy: 0.4423262748682493
Energy: 0.442796283724743
Energy: 0.42660245460679524
Energy: 0.44506390755555575
Energy: 0.4956311831189737
Energy: 0.4256726690498146
Energy: 0.4260098950211243
Energy: 0.4344239388426665
Energy: 0.4259488153295317
Energy: 0.42574179499088416
Energy: 0.5614648725446836
Energy: 0.4279011956789461
Energy: 0.42801625080776096
Energy: 0.42682506236828793
Energy: 0.42804147238611506
Energy: 0.4277748085407393
Energy: 0.4738401293652105
Energy: 0.4254451548996519
Energy: 0.425664264449721
Energy: 0.47383289958182656
Energy: 0.4449342994747516
Energy: 0.4283079981712762
Energy: 0.46313079851769495
Energy: 0.4270965607498518
Energy: 0.42640327889636936
Energy: 0.4360763448714211
Energy: 0.43834138329613376
Energy: 0.4340961977012937
Energy: 0.47018702820710884
Energy: 0.42268621198682516
Energy: 0.44363873958954975
Energy: 0.42553122950702865
Energy: 0.4252673674261392
Energy: 0.43789573179857183
Energy: 0.46371375521407276
Energy: 0.42693331676605933
Energy: 0.44018515367945593
Energy: 0.47882643486017734
Energy: 0.4247540356825563
Energy: 0.44419727314225577
Energy: 0.44743432238526043
Energy: 0.4405118827853454
Energy: 0.4406044179159818
Energy: 0.44805626513815905
Energy: 0.4409428512020073
Energy: 0.4245294358980998
Energy: 0.42832611456062913
Energy: 0.4226015712291708
Energy: 0.42028650989526084
Energy: 0.4281488681416558
Energy: 0.42079777780919625
Energy: 0.4240148393296691
Energy: 0.4277067580611802
Energy: 0.42800293731330263
Energy: 0.4259473643637737
Energy: 0.42539119672347275
Energy: 0.4333930052115931
Energy: 0.4258040875372366
Energy: 0.42641493725429586
Energy: 0.4412670336260067
Energy: 0.4418906928142466
Energy: 0.4268635108373003
Energy: 0.4424246480864779
Energy: 0.42734961213719974
Energy: 0.4646368223660071
Energy: 0.4394752310404241
Energy: 0.4392709693965092
Energy: 0.42801700188747754
Energy: 0.44027972188408293
Energy: 0.4256868330964731
Energy: 0.4243113876378459
Energy: 0.43706859127929304
Energy: 0.43904942919803486
Energy: 0.42549211504890444
Energy: 0.43792695981051977
Energy: 0.44316578022817754
Energy: 0.46408228272788127
Energy: 0.4424150938414431
Energy: 0.4414570791645502
Energy: 0.428190783684335
Energy: 0.44512315107869715
Energy: 0.4406609624779167
Energy: 0.4996208111753545
Energy: 0.42797821666885805
Energy: 0.4277776176610389
Energy: 0.4238212439538337
Energy: 0.4280011313235109
Energy: 0.4202436193720327
Energy: 0.49889465628750307
Energy: 0.42857739704910686
Energy: 0.4354656060937761
Energy: 0.42255045943698416
Energy: 0.42901975508657814
Energy: 0.4406082135431155
Energy: 0.46327021475819274
Energy: 0.4256128688705352
Energy: 0.4258807844443868
Energy: 0.43643030772091235
Energy: 0.42493953289643077
Energy: 0.42589616537650077
Energy: 0.47742310571357954
Energy: 0.4276058122089717
Energy: 0.4280958484428078
Energy: 0.47661417035611386
Energy: 0.427264555307351
Energy: 0.42779160790746756
Energy: 0.4622788671328444
Energy: 0.4277831100977939
Energy: 0.42752169544591895
Energy: 0.4377516373952828
Energy: 0.4268831122078262
Energy: 0.42788324540039474
Energy: 0.4639210426243067
Energy: 0.42239525466986566
Energy: 0.44146919527175005
Energy: 0.4373028093244287
Energy: 0.4246453635082638
Energy: 0.4408536105066594
Energy: 0.4641614840136275
Energy: 0.43749282921093247
Energy: 0.4393862765210964
Energy: 0.44321117370795515
Energy: 0.4384363427397274
Energy: 0.4431041127907274
Energy: 0.46299961299647635
Energy: 0.4237688914687432
Energy: 0.4367255076274424
Energy: 0.43648846258816276
Energy: 0.4238933392339853
Energy: 0.43802341465734473
Energy: 0.4502385861838173
Energy: 0.4427334598779672
Energy: 0.4429035930805811
Energy: 0.4507706614214016
Energy: 0.44322552034957713
Energy: 0.4444303869995763
Energy: 0.4263764908232455
Energy: 0.4328422477402038
Energy: 0.427436227390127
Energy: 0.42618996029228573
Energy: 0.429894773058434
Energy: 0.4257430875397264
Energy: 0.42774405532918897
Energy: 0.42783810867800526
Energy: 0.4282092383903492
Energy: 0.4277780894539759
Energy: 0.426230935206438
Energy: 0.426620590469716
Energy: 0.4448584766473509
Energy: 0.4375227078211214
Energy: 0.4372516880074634
Energy: 0.445144239130387
Energy: 0.4742615424400605
Energy: 0.42762261565205156
Energy: 0.4640015101105386
Energy: 0.436878450500983
Energy: 0.4339844711611469
Energy: 0.4378954050149334
Energy: 0.43683609692162456
Energy: 0.4374310648389151
Energy: 0.4243686288529324
Energy: 0.44364032706813117
Energy: 0.4431759040208923
Energy: 0.4263374700755919
Energy: 0.4436017427389105
Energy: 0.4429667990354711
Energy: 0.44422387576394723
Energy: 0.4438681874535781
Energy: 0.44356986301142176
Energy: 0.4274104362289199
Energy: 0.44399022592977233
Energy: 0.44150936154535003
Energy: 0.4986128746449024
Energy: 0.4257525034798819
Energy: 0.4257700207798577
Energy: 0.4591277178768516
Energy: 0.44712767152509847
Energy: 0.42410273687500716

minimum gb energy = 0.4202436193720327 eV
minimum distance =  2.75599102162842 Angstroms
sigma value = 27


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

Energy: 0.46818555719201144
Energy: 0.4917936578455726
Energy: 0.4921799901358589
Energy: 0.41538192499510107
Energy: 0.4033065352335148
Energy: 0.49174819102108697
Energy: 0.4055398192764577
Energy: 0.38823489604942996
Energy: 0.3886872161750947
Energy: 0.3829028447124486
Energy: 0.3939158849578073
Energy: 0.38748698482013405
Energy: 0.4304062788040616
Energy: 0.39518406219936736
Energy: 0.395113945435658
Energy: 0.37524180380382033
Energy: 0.3980640509611698
Energy: 0.3618758273436997
Energy: 0.3895947124371884
Energy: 0.4136032249915103
Energy: 0.3486509903353168
Energy: 0.376382291374391
Energy: 0.44314492605307304
Energy: 0.34875950219993923
Energy: 0.4250482651773292
Energy: 0.3721410051669834
Energy: 0.3479899913249707
Energy: 0.37974875089609356
Energy: 0.40159950536559996
Energy: 0.34629310602550883
Energy: 0.39745549578457945
Energy: 0.41421960560561816
Energy: 0.4134708856913071
Energy: 0.3967228680491439
Energy: 0.40115492110688766
Energy: 0.3501186721512872
Energy: 0.39477524305804373
Energy: 0.3688227363818678
Energy: 0.3755388714296638
Energy: 0.39516438354306704
Energy: 0.38448951149457766
Energy: 0.39505603609351564
Energy: 0.390598084901813
Energy: 0.3696630463491412
Energy: 0.4502905053834301
Energy: 0.3905974085992571
Energy: 0.3742176040869341
Energy: 0.4257749942073363
Energy: 0.4238246293319539
Energy: 0.36836461843234164
Energy: 0.3650160001784579
Energy: 0.38844671265741315
Energy: 0.37258017720442194
Energy: 0.36611726399533157
Energy: 0.3887928805953756
Energy: 0.3763710823119488
Energy: 0.35991699348423284
Energy: 0.4006047460527786
Energy: 0.40241828981012473
Energy: 0.37218380352227715
Energy: 0.43001224819110534
Energy: 0.40360717799556656
Energy: 0.40444599177968993
Energy: 0.40234800170313384
Energy: 0.40435652146207607
Energy: 0.3604169029039908
Energy: 0.4055398193137521
Energy: 0.3877891912643879
Energy: 0.3889288966215989
Energy: 0.3822544994218705
Energy: 0.39416688528525434
Energy: 0.3658817719329655

minimum gb energy = 0.34629310602550883 eV
minimum distance =  2.75023169990359 Angstroms
sigma value = 9


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

Energy: 0.7616485358429942
Energy: 0.44526938589453324
Energy: 0.5068543262660902
Energy: 0.35932608666250826
Energy: 0.33737521477758026
Energy: 0.610751383744867
Energy: 0.3285362663693056
Energy: 0.3359239732715542
Energy: 0.33590854992794883
Energy: 0.32567494964796717
Energy: 0.33587998041478234
Energy: 0.3295272693449831
Energy: 0.35500238463457273
Energy: 0.3390834723785646
Energy: 0.34107451524465343
Energy: 0.3328140303025987
Energy: 0.3378263291020809
Energy: 0.3224299302417983
Energy: 0.35363778065239365
Energy: 0.3228209253298026
Energy: 0.31771756490534503
Energy: 0.3199284610429751
Energy: 0.3630065571732751
Energy: 0.33892981207621053
Energy: 0.33566264411798924
Energy: 0.3421681305722284
Energy: 0.3128253727601838
Energy: 0.3387391685378199
Energy: 0.34064934480076675
Energy: 0.3168694157620623
Energy: 0.3428807299802119
Energy: 0.3272375149467203
Energy: 0.33146148018343613
Energy: 0.341979047301832
Energy: 0.3055523324088159
Energy: 0.33163680024328224
Energy: 0.3409727777977877
Energy: 0.31452773365919234
Energy: 0.3390712541736546
Energy: 0.3413162259271797
Energy: 0.3220239024919216
Energy: 0.34638104727356567
Energy: 0.33171776355108246
Energy: 0.3308483127843028
Energy: 0.323344043276093
Energy: 0.332211804234122
Energy: 0.31978330501127855
Energy: 0.3171135973302099
Energy: 0.3327735483413945
Energy: 0.3305879236390063
Energy: 0.31662247821888795
Energy: 0.3223969061026271
Energy: 0.32901198045812863
Energy: 0.3235355658561019
Energy: 0.3310226014947002
Energy: 0.34718100614926767
Energy: 0.3438102234195254
Energy: 0.3047372000015259
Energy: 0.3450981465457094
Energy: 0.33677371521199295
Energy: 0.3338752767217366
Energy: 0.33004202571684127
Energy: 0.33226505036746745
Energy: 0.31497103479301014
Energy: 0.32870289285048954
Energy: 0.3227314468554954
Energy: 0.34081028117725787
Energy: 0.3298731892299351
Energy: 0.3305803551588617
Energy: 0.3222317801592327
Energy: 0.3292978829180451
Energy: 0.331771147145303
Energy: 0.6619473326354759
Energy: 0.34005428325711107
Energy: 0.3537378194662691
Energy: 0.3429417087986422
Energy: 0.3348252771392811
Energy: 0.5397760938953952
Energy: 0.37082925527170596
Energy: 0.32848253664424887
Energy: 0.3188231029323595
Energy: 0.32085596587045606
Energy: 0.3300857277008765
Energy: 0.32060766452270517
Energy: 0.3434013810971391
Energy: 0.34396070164178477
Energy: 0.33763791907005697
Energy: 0.34304313874029674
Energy: 0.34591104749555135
Energy: 0.32665737025370867
Energy: 0.3372976691657728
Energy: 0.32421559456702576
Energy: 0.32264578171329705
Energy: 0.33745658693246644
Energy: 0.32374437894103103
Energy: 0.34257241399291605
Energy: 0.3375392475650567
Energy: 0.3233365909971347
Energy: 0.3166980627290591
Energy: 0.3370728281759426
Energy: 0.32694406403292847
Energy: 0.33738964967650537
Energy: 0.36148410675216924
Energy: 0.3236824186626183
Energy: 0.33478089125587274
Energy: 0.33705470300165646
Energy: 0.3122690044490571
Energy: 0.3574165249467581
Energy: 0.3573390492253297
Energy: 0.3155210308600373
Energy: 0.3151532359342041
Energy: 0.339674962530541
Energy: 0.32891103033244584
Energy: 0.3317077394163181
Energy: 0.3525994994874941
Energy: 0.3341398896941497
Energy: 0.32596420570599055
Energy: 0.33414099924491947
Energy: 0.3340587698953662
Energy: 0.32703561485749627
Energy: 0.3529455311389877
Energy: 0.33092488665358594
Energy: 0.33143543755476507
Energy: 0.3265905814251063
Energy: 0.3397687764403154
Energy: 0.3134794833067375
Energy: 0.3656899147232504
Energy: 0.34032913490836014
Energy: 0.3492712464073556
Energy: 0.35895737692883434
Energy: 0.3438473914526281
Energy: 0.35558585979256213
Energy: 0.36836548525483986
Energy: 0.3366947161391381
Energy: 0.3370398597273326
Energy: 0.3495068622549367
Energy: 0.33736990240085835
Energy: 0.3368999135908407
Energy: 0.359344119662071
Energy: 0.33861801445017314
Energy: 0.3406230793251235
Energy: 0.32740059814360234
Energy: 0.33694839587833736
Energy: 0.3311588271806788
Energy: 0.469495581621852
Energy: 0.3473519447448993
Energy: 0.3422297613884229
Energy: 0.32729359486141213
Energy: 0.3406495579369212
Energy: 0.40335000911557617
Energy: 0.35148405834245444
Energy: 0.3193567087250835
Energy: 0.31929568420451443
Energy: 0.3307438509976778
Energy: 0.31902531221408187
Energy: 0.30947566401789045
Energy: 0.3836930251663441
Energy: 0.4707159278701684
Energy: 0.4687857563965278
Energy: 0.3841833299766163
Energy: 0.3268037945238733
Energy: 0.6103067411764967
Energy: 0.3313072722810873
Energy: 0.31958208706345054
Energy: 0.3157142202874231
Energy: 0.33177951333268796
Energy: 0.31961948379522126
Energy: 0.33197495171301444
Energy: 0.32854436223144673
Energy: 0.3253399628909365
Energy: 0.32566678763921764
Energy: 0.3289797426860348
Energy: 0.3290395883016684
Energy: 0.3330864107561872
Energy: 0.3245356947559867
Energy: 0.3275783859604398
Energy: 0.3226665419089958
Energy: 0.3454191481081518
Energy: 0.31970334436218173
Energy: 0.34165829799353387
Energy: 0.3345599477038146
Energy: 0.3422893960794667
Energy: 0.3186052509229754
Energy: 0.3160344726217926
Energy: 0.3227277457039536
Energy: 0.34476461001964204
Energy: 0.5622052193176138
Energy: 0.3327310718553578
Energy: 0.31886100715384086
Energy: 0.3052706867503317
Energy: 0.3320117527424683
Energy: 0.3255214682497966
Energy: 0.4107864342423645
Energy: 0.34326491268568726
Energy: 0.3459299523977661
Energy: 0.32289645994308264
Energy: 0.34166609492833544
Energy: 0.33996678464745034
Energy: 0.3486070997565284
Energy: 0.33557655837177036
Energy: 0.33566407604625403
Energy: 0.336557288884961
Energy: 0.342640948195312
Energy: 0.34094542806109673
Energy: 0.3514564967643604
Energy: 0.36098040864379455
Energy: 0.3151664264760457
Energy: 0.32795906759360255
Energy: 0.33914494559669056
Energy: 0.30927009414005463
Energy: 0.3547109158851936
Energy: 0.3358656293964776
Energy: 0.32831636958676497
Energy: 0.362206011316273
Energy: 0.338595486130197
Energy: 0.3297324181012732
Energy: 0.3378188862442316
Energy: 0.3211906869744263
Energy: 0.33177636309186154
Energy: 0.3380322608505939
Energy: 0.325232513718534
Energy: 0.3326304190708172
Energy: 0.34316094294015353
Energy: 0.3207321775380065
Energy: 0.31305725385214117
Energy: 0.34316774446339665
Energy: 0.3245239835704168
Energy: 0.33584548185052354
Energy: 0.34457014791516494
Energy: 0.34287067684849065
Energy: 0.5403513030486192
Energy: 0.32843443440037545
Energy: 0.3411093615445498
Energy: 0.3304017343962011
Energy: 0.3607220698911351
Energy: 0.3200595092784077
Energy: 0.3132580046486113
Energy: 0.3363573100029417
Energy: 0.3398844967959285
Energy: 0.32302647508675153
Energy: 0.3539449828986222
Energy: 0.33779626003843194
Energy: 0.32846721798722517
Energy: 0.3394260872036399
Energy: 0.3343415674762572
Energy: 0.32770249025367254
Energy: 0.359148860040149
Energy: 0.33309163798188507
Energy: 0.33320303114029354
Energy: 0.34144383838352804
Energy: 0.3345499344211634
Energy: 0.3218469981094879
Energy: 0.36906161396072873
Energy: 0.3369909083086243
Energy: 0.3285544090467894
Energy: 0.3400403272760606
Energy: 0.33707097057353047
Energy: 0.33658800272450173

minimum gb energy = 0.3047372000015259 eV
minimum distance =  2.73478128265073 Angstroms
sigma value = 57


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

Energy: 0.15828952679036828
Energy: 0.16283123410598171
Energy: 0.16374974236465809
Energy: 0.157602508134379
Energy: 0.1660194300242761
Energy: 0.16200485875878126
Energy: 0.1696128752960197
Energy: 0.1691069387535492
Energy: 0.16360591840222086
Energy: 0.16792068127002824
Energy: 0.16804164118885603
Energy: 0.1698716956918567
Energy: 0.18141415262172178
Energy: 0.17089653168120425
Energy: 0.1700028640931959
Energy: 0.18103049019205655
Energy: 0.17109213546101076
Energy: 0.1699180412133834
Energy: 0.18162718437115044
Energy: 0.17079656319074377
Energy: 0.17078633539333166
Energy: 0.16974882034158495
Energy: 0.17892423340764452
Energy: 0.1801968755673036
Energy: 0.1770818780707949
Energy: 0.16503585500587403
Energy: 0.16123894519526227
Energy: 0.17730743964647627
Energy: 0.16406094946037167
Energy: 0.17011826095894572
Energy: 0.1703036679007143
Energy: 0.16118400666300195
Energy: 0.16240762657959149
Energy: 0.170903110331724
Energy: 0.16129880605897234
Energy: 0.1631416291786183
Energy: 0.1680705306431473
Energy: 0.16359903815812787
Energy: 0.16993793112894678
Energy: 0.1681216104380077
Energy: 0.17031377926720084
Energy: 0.17018992675233724
Energy: 0.17082419567096788
Energy: 0.18051237238085832
Energy: 0.18173867626793033
Energy: 0.17058047676831273
Energy: 0.18080378676750475
Energy: 0.17077715185676387
Energy: 0.17704734086112056
Energy: 0.1792601716982073
Energy: 0.17828569343606324
Energy: 0.17744809622356217
Energy: 0.18084451859832598
Energy: 0.1699510184703785
Energy: 0.1615641932562506
Energy: 0.16916320812971902
Energy: 0.1634266778446911
Energy: 0.16108433857117113
Energy: 0.17979427037046614
Energy: 0.16375252764684564
Energy: 0.16378009421377024
Energy: 0.16396818294909432
Energy: 0.16383726958789432
Energy: 0.16414087656281645
Energy: 0.17050507917343308
Energy: 0.16501019396149172
Energy: 0.17801840493083362
Energy: 0.16896397214834752
Energy: 0.16960610190133163
Energy: 0.17832169675444728
Energy: 0.16852584859968991
Energy: 0.17185584779900678
Energy: 0.1783507298298525
Energy: 0.5041051423089771
Energy: 0.5093443258887523
Energy: 0.1791735426236917
Energy: 0.503829895734165
Energy: 0.5089968535677436
Energy: 0.17750561046995292
Energy: 0.16864192207638554
Energy: 0.16927238746607595
Energy: 0.17789605093156488
Energy: 0.16821862858681824
Energy: 0.17177442600637474
Energy: 0.1818525001479808
Energy: 0.16016551519361827
Energy: 0.16159434548619708
Energy: 0.18179670155741692
Energy: 0.15810621478833858
Energy: 0.16370076122412697
Energy: 0.16903779013063117
Energy: 0.1685881913245042
Energy: 0.17026778661709502
Energy: 0.1681525200541009
Energy: 0.16861789496269505
Energy: 0.17026870739719427
Energy: 0.17036901899613363
Energy: 0.16988875526969544
Energy: 0.1718996042129323
Energy: 0.1707802634843533
Energy: 0.16891289262770773
Energy: 0.1705575271159299
Energy: 0.17919542946182654
Energy: 0.1811243082817128
Energy: 0.18139301904768695
Energy: 0.179311184961297
Energy: 0.1706796229790041
Energy: 0.17040424639885285
Energy: 0.16478043443125528
Energy: 0.1797530691018624
Energy: 0.16999535496622095
Energy: 0.16500971941218504
Energy: 0.17740271095982288
Energy: 0.16957812045360698

minimum gb energy = 0.157602508134379 eV
minimum distance =  2.7459324467156 Angstroms
sigma value = 11


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

Energy: 0.6228153574437073
Energy: 0.2788213309169375
Energy: 0.2980302714375227
Energy: 0.27694113258522807
Energy: 0.3542086611419283
Energy: 0.6226857800474733
Energy: 0.28581349764365693
Energy: 0.27413884810184175
Energy: 0.2742680228167143
Energy: 0.28629126845888214
Energy: 0.27320866393991095
Energy: 0.27850537851790547
Energy: 0.269019780233537
Energy: 0.2733565433076518
Energy: 0.273915974438952
Energy: 0.2694172213863138
Energy: 0.2719050813749321
Energy: 0.2745785872537058
Energy: 0.26889274881999486
Energy: 0.2752503184059084
Energy: 0.2836926480530724
Energy: 0.2691698711293937
Energy: 0.26941980769515855
Energy: 0.271920488376118
Energy: 0.27682835252440857
Energy: 0.30475976650000125
Energy: 0.28475594246629427
Energy: 0.2767578228630357
Energy: 0.2805744499181429
Energy: 0.281131656312642
Energy: 0.3058067112912741
Energy: 0.2927580041796891
Energy: 0.28148521305833873
Energy: 0.27725968999842826
Energy: 0.30588868019276544
Energy: 0.2807638229055142
Energy: 0.2952085195765369
Energy: 0.27744377100405626
Energy: 0.27990721870909074
Energy: 0.2699197791017715
Energy: 0.2786471781105101
Energy: 0.27848326717125954
Energy: 0.28252923759917503
Energy: 0.27499061897243254
Energy: 0.27655349093717496
Energy: 0.282930748302931
Energy: 0.274179066495679
Energy: 0.2925833200649802
Energy: 0.2966553485515373
Energy: 0.2695154810908999
Energy: 0.2712323376426217
Energy: 0.27155174985740616
Energy: 0.2686529382568107
Energy: 0.28942918326703715
Energy: 0.5327245680903343
Energy: 0.27532805023722684
Energy: 0.2789010323259487
Energy: 0.4596216702616126
Energy: 0.27589646967297493
Energy: 0.2829334362523708
Energy: 0.4004424652096568
Energy: 0.280169147441235
Energy: 0.2874579225795247
Energy: 0.279690925691537
Energy: 0.27349676840307124
Energy: 0.28641070101494814
Energy: 0.29485822840943265
Energy: 0.2610089717753525
Energy: 0.27377829437070983
Energy: 0.2757049306590797
Energy: 0.2598914999378041
Energy: 0.2839182310649195
Energy: 0.31184737820070846
Energy: 0.26134320174644504
Energy: 0.2903148853510835
Energy: 0.2865980255195503
Energy: 0.2605158537075208
Energy: 0.27729049234461567
Energy: 0.3084187827269417
Energy: 0.29355558160529327
Energy: 0.2967127432756959
Energy: 0.30847643646352246
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Energy: 0.29678052922682324
Energy: 0.31401852327285945
Energy: 0.4582303875285699
Energy: 0.4558548027285949
Energy: 0.27724880957435666
Energy: 0.460880820778201
Energy: 0.27934259441770615
Energy: 0.31266204558030447
Energy: 0.28355787201520644
Energy: 0.2967971639837626
Energy: 0.2759771750647054
Energy: 0.30817606024669536
Energy: 0.29440592853414527
Energy: 0.44802306465572256
Energy: 0.3244668939049527
Energy: 0.2699969879077723
Energy: 0.40255252880172343
Energy: 0.3247833915833728
Energy: 0.2709293463043923
Energy: 0.31414959687285854
Energy: 0.2747912246509429
Energy: 0.27967430180116964
Energy: 0.27739025760016234
Energy: 0.2760907819886802
Energy: 0.2803070552325352
Energy: 0.31247657192636646
Energy: 0.2864110445565834
Energy: 0.2744237461179596
Energy: 0.26820277676110343
Energy: 0.2849769411791085
Energy: 0.2753995025962863
Energy: 0.36416846759891064
Energy: 0.4362717706271789
Energy: 0.33069947221111434
Energy: 0.3426457014878289
Energy: 0.31198145486728024
Energy: 0.33388845056106836
Energy: 0.3133797672282695
Energy: 0.2881955182161981
Energy: 0.2915311791202349
Energy: 0.27141575921939814
Energy: 0.31724222231241783
Energy: 0.28707098491924854
Energy: 0.4157716413302165
Energy: 0.5159161877224037
Energy: 0.5150002068384139
Energy: 0.4156174544267654
Energy: 0.39633267231485225
Energy: 0.2982572113087259
Energy: 0.27082879731825843
Energy: 0.28745845190039004
Energy: 0.2910063721276522
Energy: 0.27090201894786664
Energy: 0.28649888996122463
Energy: 0.2860344806702317
Energy: 0.27133741817247115
Energy: 0.2711907768353021
Energy: 0.2908843303131525
Energy: 0.2710113963371613
Energy: 0.27008703716160665
Energy: 0.27525607768098975
Energy: 0.27006802127659535
Energy: 0.27043431004949803
Energy: 0.27138663163761395
Energy: 0.2703773525312751
Energy: 0.26941662628949337
Energy: 0.28982888672003576
Energy: 0.31402253007280756
Energy: 0.2842138965748469
Energy: 0.28757032954923906
Energy: 0.2931867671604566
Energy: 0.2775485943404745
Energy: 0.2750055885809902

minimum gb energy = 0.2598914999378041 eV
minimum distance =  2.72786477015607 Angstroms
sigma value = 41


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

Energy: 0.5934031127542181
Energy: 0.30059525565203266
Energy: 0.37013830159114397
Energy: 0.46032262059142504
Energy: 0.31984044100570747
Energy: 0.45989886044377787
Energy: 0.3124446036687658
Energy: 0.29555712008521634
Energy: 0.29673034345718136
Energy: 0.3021203228622439
Energy: 0.2948789247138296
Energy: 0.29315418697597767
Energy: 0.2954262005759839
Energy: 0.2931400206486648
Energy: 0.29553017216534394
Energy: 0.29582232389744945
Energy: 0.2927305915332406
Energy: 0.29505168514255564
Energy: 0.29486203396829425
Energy: 0.2958959648655514
Energy: 0.3098272104123397
Energy: 0.2951210373100474
Energy: 0.29439970786278247
Energy: 0.2969143913605743
Energy: 0.2966707709134922
Energy: 0.30219581526422346
Energy: 0.30966694268645084
Energy: 0.2963904889360291
Energy: 0.2947162781709005
Energy: 0.30486073246269035
Energy: 0.33560095192212475
Energy: 0.29447884845421324
Energy: 0.29606276162296574
Energy: 0.29660281755664164
Energy: 0.37823210105111
Energy: 0.29546291364026245
Energy: 0.33337747371543236
Energy: 0.3024063208586366
Energy: 0.3082167659979191
Energy: 0.29343942993010913
Energy: 0.294560603768264
Energy: 0.306325196075792
Energy: 0.3079519473995321
Energy: 0.30297919099752046
Energy: 0.3032911982718957
Energy: 0.30825087749807073
Energy: 0.3029400181829586
Energy: 0.31208785554404583
Energy: 0.33368080047173015
Energy: 0.29392788730294284
Energy: 0.2943089259479352
Energy: 0.3016898753289104
Energy: 0.2939245465988913
Energy: 0.29568564781696904
Energy: 0.4453011930833823
Energy: 0.29336384549606215
Energy: 0.30137605334783746
Energy: 0.4014723882073316
Energy: 0.2931303703031509
Energy: 0.30355308400531705
Energy: 0.3359177016576192
Energy: 0.293560710967228
Energy: 0.3038390384986751
Energy: 0.2943905066006911
Energy: 0.2932634856832962
Energy: 0.3035844166055412
Energy: 0.3340056217615077
Energy: 0.2800279740487393
Energy: 0.2947378942551739
Energy: 0.3022291709663913
Energy: 0.280253488259896
Energy: 0.30285172157100476
Energy: 0.29772937778447645
Energy: 0.27910465396620654
Energy: 0.3113934977865053
Energy: 0.29794272347096046
Energy: 0.28160857733537625
Energy: 0.31273346653218886
Energy: 0.29395537042105685
Energy: 0.30297802089567843
Energy: 0.3076915707918679
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Energy: 0.3015423055720905
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Energy: 0.3974895025625634
Energy: 0.3858769414691239
Energy: 0.30505998985872074
Energy: 0.3962090364746163
Energy: 0.30552739499199955
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Energy: 0.2954863770377688
Energy: 0.30024179907944876
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Energy: 0.28594576212035816
Energy: 0.45910810762034254
Energy: 0.3219299814312901
Energy: 0.38774737493376865
Energy: 0.30816615793816055
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Energy: 0.30927648968395316
Energy: 0.29329247631701777
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Energy: 0.2934451276057477
Energy: 0.2970835788536113
Energy: 0.2941349217802906
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Energy: 0.29552514623008996
Energy: 0.2963751121488903
Energy: 0.2967188775916006
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Energy: 0.29700008197347055
Energy: 0.2957293895985586
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Energy: 0.2949776126992208
Energy: 0.2952279210206515
Energy: 0.30949015000666213
Energy: 0.29505185251679766
Energy: 0.30211952035156836
Energy: 0.30409769026652356
Energy: 0.34887841286578763
Energy: 0.37328941091396006
Energy: 0.3160393971742643
Energy: 0.3485843761548116
Energy: 0.37346838738667165
Energy: 0.37385594970276326
Energy: 0.3337957774538707
Energy: 0.2942951974191897
Energy: 0.3078484726516416
Energy: 0.29429753090842176
Energy: 0.30186428974216567
Energy: 0.30369337933921264
Energy: 0.3077187964352516
Energy: 0.3061932135497762
Energy: 0.3030027478853297
Energy: 0.30814247171251963
Energy: 0.3061207677084501
Energy: 0.31209372350619935
Energy: 0.3336077432747407
Energy: 0.294586034576993
Energy: 0.2952853062857156
Energy: 0.2937582151713121
Energy: 0.2941519583663598
Energy: 0.2964045012783272
Energy: 0.33623572128646234
Energy: 0.2965353644819649
Energy: 0.3044827808195742
Energy: 0.29471505670578113
Energy: 0.29633774487584297
Energy: 0.3039522301142148
Energy: 0.44472641705263
Energy: 0.29346412499452784
Energy: 0.30151119074053057
Energy: 0.4010518809705709
Energy: 0.29892205082011064
Energy: 0.3029049268606896
Energy: 0.3335042561397663
Energy: 0.28747767400834334
Energy: 0.2955711493857378
Energy: 0.3002120248083023
Energy: 0.279140127809828
Energy: 0.30315365490838747
Energy: 0.29322960750191324
Energy: 0.46148741729794773
Energy: 0.3872460545348341
Energy: 0.29326173177066467
Energy: 0.4588645802073975
Energy: 0.3870357303373596
Energy: 0.2938724375111833
Energy: 0.3024317547205242
Energy: 0.30790176470570674
Energy: 0.29393249387440784
Energy: 0.30150461014073293
Energy: 0.30168253315172827
Energy: 0.2942769044806921
Energy: 0.31585022087531284
Energy: 0.29389019512069836
Energy: 0.29396269895960825
Energy: 0.40079260443014064
Energy: 0.2939188694289861
Energy: 0.29357828658000984
Energy: 0.29503151264281874
Energy: 0.29577574269684354
Energy: 0.29994804492447624
Energy: 0.29457691198688746
Energy: 0.3093316207387645
Energy: 0.5769393724193225
Energy: 0.2938133554439822
Energy: 0.2932578030375056
Energy: 0.4633015933712101
Energy: 0.29333824400931396
Energy: 0.29357635017557554

minimum gb energy = 0.27910465396620654 eV
minimum distance =  2.70893640388661 Angstroms
sigma value = 33


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

Energy: 0.37869569713384077
Energy: 0.5697317303233485
Energy: 0.5658708602284538
Energy: 0.3720547129064244
Energy: 0.7378875609815999
Energy: 0.565984486220314
Energy: 0.34814120216828387
Energy: 0.3282115776472718
Energy: 0.31220325082625233
Energy: 0.33985733737043233
Energy: 0.3270731454980152
Energy: 0.3118774661709268
Energy: 0.3317114542210562
Energy: 0.3341156484984654
Energy: 0.315302335713206
Energy: 0.33260475946068346
Energy: 0.3366167263797415
Energy: 0.31510621233743874
Energy: 0.3287075451302763
Energy: 0.3132396426155263
Energy: 0.3125289537374722
Energy: 0.3294046925346603
Energy: 0.3284475440397642
Energy: 0.3300044540641171
Energy: 0.3293337827264295
Energy: 0.3149147692154462
Energy: 0.3102267784750085
Energy: 0.32886102296699904
Energy: 0.3289183578142933
Energy: 0.3641052637360623
Energy: 0.3572473681264479
Energy: 0.3366815075999584
Energy: 0.3109171838410077
Energy: 0.36131038834062623
Energy: 0.337073696557956
Energy: 0.31182794049163437
Energy: 0.34763192709202395
Energy: 0.3082239230871767
Energy: 0.3126855672668049
Energy: 0.3268734210006129
Energy: 0.30645865564837343
Energy: 0.3446608413840116
Energy: 0.3558620568550156
Energy: 0.33845413682904746
Energy: 0.3107999150530121
Energy: 0.357618043120319
Energy: 0.3383120295404575
Energy: 0.31159241235519686
Energy: 0.3475619799581604
Energy: 0.3082804366272157
Energy: 0.31049170028613166
Energy: 0.3494691499137417
Energy: 0.30682811286388706
Energy: 0.30661883762886516
Energy: 0.5445662391182001
Energy: 0.31163627304008695
Energy: 0.3108442726070236
Energy: 0.3319997165835481
Energy: 0.3123219182229968
Energy: 0.3076724389581546
Energy: 0.38324863472052234
Energy: 0.30917964521568414
Energy: 0.3269137236006502
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Energy: 0.30958406325642257
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Energy: 0.3310515769081372
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Energy: 0.3377545107748805
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Energy: 0.31097402783566336
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Energy: 0.30741823279290376
Energy: 0.334181699302469
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Energy: 0.3137846051015003
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Energy: 0.33334841564975093
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Energy: 0.31075232462265806
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Energy: 0.30799189423593987
Energy: 0.3108759753938742
Energy: 0.35363874531030587
Energy: 0.3078930412222989
Energy: 0.30628941924339964
Energy: 0.32707772711248245
Energy: 0.30586490802229077
Energy: 0.3068124295924579
Energy: 0.352753970238263
Energy: 0.3109545811724149
Energy: 0.3387351893402778
Energy: 0.3648644527949281
Energy: 0.33871506588098377
Energy: 0.33846988320694954
Energy: 0.46658890077797593
Energy: 0.33893771775965015
Energy: 0.32718733258157234
Energy: 0.32753299182871104
Energy: 0.3114727367488122
Energy: 0.3063316919439398
Energy: 0.32726171211911254
Energy: 0.3424704354858239
Energy: 0.7346306162754277
Energy: 0.45991392882022664
Energy: 0.3105729023841038
Energy: 0.3104558144511022
Energy: 0.4574322957739696
Energy: 0.3109468988599165

minimum gb energy = 0.30586490802229077 eV
minimum distance =  2.74065915209245 Angstroms
sigma value = 67


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

Energy: 0.4476624206795659
Energy: 0.2980291925402471
Energy: 0.3005694683286685
Energy: 0.43198117354297233
Energy: 0.34050345278632166
Energy: 0.2972448615419302
Energy: 0.39283702550969224
Energy: 0.29272789243492486
Energy: 0.2918940338806623
Energy: 0.29272209539934396
Energy: 0.3380725417095774
Energy: 0.29197565292547806
Energy: 0.3367097670615125
Energy: 0.2842444655192207
Energy: 0.2942171320862275
Energy: 0.3375337979223864
Energy: 0.28428715807473837
Energy: 0.29452685092974945
Energy: 0.3369888890082052
Energy: 0.2951518699135996
Energy: 0.2942869910820837
Energy: 0.3377146935451769
Energy: 0.3443589650473742
Energy: 0.29421123328277954
Energy: 0.3386221608976387
Energy: 0.2950701067911715
Energy: 0.294111160394999
Energy: 0.33752259457207034
Energy: 0.3384385603889594
Energy: 0.31434267433705515
Energy: 0.33948381399247496
Energy: 0.3376543991854661
Energy: 0.3119538329607222
Energy: 0.34062662314077496
Energy: 0.3368877356720154
Energy: 0.3410870487660791
Energy: 0.3873910947670849
Energy: 0.2932079821816264
Energy: 0.29232159942712344
Energy: 0.34143637546700356
Energy: 0.3373023336303399
Energy: 0.2921975893623524

minimum gb energy = 0.2842444655192207 eV
minimum distance =  2.78807613446013 Angstroms
sigma value = 3


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

Energy: 0.5552858733622643
Energy: 0.4382016165565249
Energy: 0.40049411582481625
Energy: 0.36874979213294057
Energy: 0.6597374761195467
Energy: 0.4026275324925458
Energy: 0.3432572357193735
Energy: 0.3835339450340219
Energy: 0.3710904713384372
Energy: 0.3653880426968054
Energy: 0.39119952542388364
Energy: 0.36964779497083133
Energy: 0.3548964750284117
Energy: 0.34409320887876454
Energy: 0.35582775884152296
Energy: 0.3547578090326262
Energy: 0.3924608569026931
Energy: 0.36564693580334295
Energy: 0.34573753141557056
Energy: 0.34596242814809164
Energy: 0.3530650191003568
Energy: 0.34653283142431707
Energy: 0.39010924310838735
Energy: 0.35053703424022054
Energy: 0.34937421689965437
Energy: 0.36564991794492774
Energy: 0.35473042832114593
Energy: 0.3497402966925555
Energy: 0.3986359785207662
Energy: 0.3530270152955703
Energy: 0.3531033322161668
Energy: 0.3893697937172698
Energy: 0.3659459915477637
Energy: 0.35351488878032583
Energy: 0.38259083708120556
Energy: 0.3531085033760189
Energy: 0.3444927702553442
Energy: 0.3898927968817199
Energy: 0.3865081415696227
Energy: 0.3719257680379621
Energy: 0.3909686924866815
Energy: 0.38601931628634384
Energy: 0.5383467995667074
Energy: 0.41861811887788697
Energy: 0.3808413663296116
Energy: 0.3593128105957943
Energy: 0.4317589855406613
Energy: 0.4197333425116722
Energy: 0.3451190954448515
Energy: 0.38662889306219006
Energy: 0.38551794452660554
Energy: 0.3736769539437927
Energy: 0.3894649861773078
Energy: 0.385326283844457
Energy: 0.448141926807016
Energy: 0.3570223476781263
Energy: 0.36451895790008104
Energy: 0.44871708302958224
Energy: 0.3730848043042204
Energy: 0.3956093199631751
Energy: 0.3901131320311368
Energy: 0.3785433610341568
Energy: 0.3874995271625996
Energy: 0.3904713734811368
Energy: 0.3653059219241114
Energy: 0.38806952830888497
Energy: 0.40241696746248995
Energy: 0.370816547305639
Energy: 0.35123808596624173
Energy: 0.40274911590107354
Energy: 0.3536165743005378
Energy: 0.37152123099741996
Energy: 0.4109296107253383
Energy: 0.35257740352322114
Energy: 0.3536821618472231
Energy: 0.38692014453695367
Energy: 0.35088982345596614
Energy: 0.35560111851558934
Energy: 0.3904612627047346
Energy: 0.34698326631214205
Energy: 0.34957576094868387
Energy: 0.38838931286864087
Energy: 0.34561524902444213
Energy: 0.3509534822619745
Energy: 0.4169138545741099
Energy: 0.3545316399161701
Energy: 0.35408852863271045
Energy: 0.3790937847343536
Energy: 0.35452616023426614
Energy: 0.40916395927959015
Energy: 0.39659235203350396
Energy: 0.35894632647145697
Energy: 0.3604373594979518
Energy: 0.377279997745186
Energy: 0.3614092148742247
Energy: 0.3620243154671931
Energy: 0.45649953425823425
Energy: 0.38213686792703044
Energy: 0.3823383519336891
Energy: 0.4568733290195782
Energy: 0.4137489539054015
Energy: 0.4144808301787807
Energy: 0.38664797891109426
Energy: 0.3585452817125866
Energy: 0.36269153696161804
Energy: 0.3870454226358995
Energy: 0.40924509976282986
Energy: 0.3637900697585296
Energy: 0.43036171115751726
Energy: 0.36010077904577653
Energy: 0.3624190520934884
Energy: 0.34906404435571037
Energy: 0.4020659453787677
Energy: 0.361421218502212
Energy: 0.4605383311139872
Energy: 0.3664335705912896
Energy: 0.36710734099656533
Energy: 0.34975864625254205
Energy: 0.3667445345687772
Energy: 0.3614311155710828
Energy: 0.37857310695147023
Energy: 0.3612210965792311
Energy: 0.36225476835264103
Energy: 0.37899430413570684
Energy: 0.36023648806885056
Energy: 0.3631806350011102
Energy: 0.3885513523023292
Energy: 0.3695130484808363
Energy: 0.36267319802459164
Energy: 0.38984264828534815
Energy: 0.36971881707154763
Energy: 0.35475474379118016
Energy: 0.3784970185761399
Energy: 0.3806822832650601
Energy: 0.37770203348399856
Energy: 0.37476974706574573
Energy: 0.37723853644432137
Energy: 0.3756411902732943
Energy: 0.3770396387764522
Energy: 0.34568115227914864
Energy: 0.35742730170303105
Energy: 0.3772974917504287
Energy: 0.3461366355399126
Energy: 0.38159070671784606
Energy: 0.34734046814948244
Energy: 0.3874737224309221
Energy: 0.38542722252748596
Energy: 0.36362232368445196
Energy: 0.3616326338141482
Energy: 0.38375821571338314
Energy: 0.5014900311348572
Energy: 0.42118167009732177
Energy: 0.42184102323981154
Energy: 0.3601883646405931
Energy: 0.4281124101427923
Energy: 0.38851572921275207
Energy: 0.3442083637860982
Energy: 0.4202399704898269
Energy: 0.3903749790227538
Energy: 0.360800565988484
Energy: 0.4280591580154986
Energy: 0.3875263359283285
Energy: 0.348375814739307
Energy: 0.3875224655910704
Energy: 0.38539757076489767
Energy: 0.3535308450126029
Energy: 0.3613039149544364
Energy: 0.3582337236947093
Energy: 0.3601744927886039
Energy: 0.34504550349614166
Energy: 0.34554367736109726
Energy: 0.3605761286208529
Energy: 0.3448982805095567
Energy: 0.36423879481767674
Energy: 0.35495707270038396
Energy: 0.3631127566764394
Energy: 0.35999621662943526
Energy: 0.3567528732370902
Energy: 0.40107064332133
Energy: 0.3581782126044873
Energy: 0.36565857640070915
Energy: 0.36806528297771096
Energy: 0.3691107256087728
Energy: 0.36634226085603255
Energy: 0.48160454098205824
Energy: 0.3634760448893759
Energy: 0.3595576796353594
Energy: 0.37958742353748043
Energy: 0.3785904860707043
Energy: 0.3597677163561342
Energy: 0.35844331590722606
Energy: 0.3780115988123277
Energy: 0.4916895859631466
Energy: 0.40377342046444464
Energy: 0.4032723243508858
Energy: 0.4128564176616701
Energy: 0.40816286971766647
Energy: 0.3808504806879081
Energy: 0.3544864320402694
Energy: 0.38300444916467946
Energy: 0.3819593461867222
Energy: 0.36712428868170077
Energy: 0.3801017368573078
Energy: 0.381645581449436
Energy: 0.3621032296854069
Energy: 0.3787863994307481
Energy: 0.38749939896664254
Energy: 0.34492201872586165
Energy: 0.3690771106479379
Energy: 0.38027355737839846
Energy: 0.4052451289633908
Energy: 0.36322690828092125
Energy: 0.36214151394818805
Energy: 0.4057258675637934
Energy: 0.3732291658350924
Energy: 0.39582842983008726
Energy: 0.39343249273434155
Energy: 0.34635575067954727
Energy: 0.3784236871372838
Energy: 0.3779674804056186
Energy: 0.37355123100927656
Energy: 0.37797839808822775
Energy: 0.43208748112265843
Energy: 0.34561759558184113
Energy: 0.34591981759566226
Energy: 0.4624431048010488
Energy: 0.3455221559089238
Energy: 0.4644834087265084
Energy: 0.397063201075685
Energy: 0.34751820929010235
Energy: 0.3500393184946006
Energy: 0.3799813283202537
Energy: 0.34676333978884855
Energy: 0.3515063223170043
Energy: 0.43528110357893185
Energy: 0.351578475269097
Energy: 0.3531506274406827
Energy: 0.38155721876951093
Energy: 0.3509970311143381
Energy: 0.3550766986273655
Energy: 0.39141809355132146
Energy: 0.3663204895936346
Energy: 0.34962739306103524
Energy: 0.3930514459791403
Energy: 0.34917911442179483
Energy: 0.3509204256862052
Energy: 0.4130636476558599
Energy: 0.359781734684212
Energy: 0.3883426904298951
Energy: 0.373541633246804
Energy: 0.37103548128258884
Energy: 0.3721517949923839
Energy: 0.4702707978041661
Energy: 0.3824749139136448
Energy: 0.3820573462316057
Energy: 0.4706563135658307
Energy: 0.39915218714892503
Energy: 0.41316169363037397
Energy: 0.3686790839605465
Energy: 0.36505573181777273
Energy: 0.36693849962786085
Energy: 0.35318149394691195
Energy: 0.3642531549771336
Energy: 0.3686892328356217
Energy: 0.5162869423427371
Energy: 0.3697093849356365
Energy: 0.3739084752466523
Energy: 0.5232220452124525
Energy: 0.36803359392432505
Energy: 0.3733233730375613
Energy: 0.36544796424792864
Energy: 0.3693178211311457
Energy: 0.36670001020163867
Energy: 0.36955610451579834
Energy: 0.37048073652442903
Energy: 0.3687515069443055
Energy: 0.38028212599346206
Energy: 0.3736488980795333
Energy: 0.3676732178570273
Energy: 0.3634648063577847
Energy: 0.36424053510054843
Energy: 0.3576044465785435
Energy: 0.37275827635891223
Energy: 0.3726324682490656
Energy: 0.3527288081677938
Energy: 0.373275945718109
Energy: 0.37721617379735617
Energy: 0.37155735757431924
Energy: 0.3632274962075795
Energy: 0.354763971858515
Energy: 0.3708352855987947
Energy: 0.36340656125991966
Energy: 0.35544782787780654
Energy: 0.370064397629623
Energy: 0.4324267401857032
Energy: 0.36439867629241746
Energy: 0.35451792711182606
Energy: 0.43233937044082577
Energy: 0.3970929146769367
Energy: 0.3828893569002583
Energy: 0.3434523736428573
Energy: 0.38291479506189485
Energy: 0.3715638118797383
Energy: 0.38362473684209214
Energy: 0.3916092172459706
Energy: 0.3704488475502558

minimum gb energy = 0.3432572357193735 eV
minimum distance =  2.74065628105793 Angstroms
sigma value = 81


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

Energy: 0.7805877842848342
Energy: 0.41673615577459155
Energy: 0.35965216120520493
Energy: 0.39719218769399944
Energy: 0.5727041735567585
Energy: 0.4031189097058592
Energy: 0.35780391911925336
Energy: 0.37378136301389725
Energy: 0.37268087859969795
Energy: 0.36957552970821106
Energy: 0.38375178236601387
Energy: 0.3730416809737754
Energy: 0.4361440137837817
Energy: 0.3656989266157136
Energy: 0.36580262710223116
Energy: 0.353370447459475
Energy: 0.38161533814756277
Energy: 0.3489457272987014
Energy: 0.3903946377151551
Energy: 0.377513722803577
Energy: 0.3970673802716037
Energy: 0.3931368249421138
Energy: 0.3774973034747264
Energy: 0.34652517423338663
Energy: 0.3933691229400461
Energy: 0.3481075819709362
Energy: 0.34759298974332775
Energy: 0.35007479803760433
Energy: 0.3751858712014929
Energy: 0.34806549988878277
Energy: 0.4757198762198223
Energy: 0.37080425054464483
Energy: 0.4025157405359526
Energy: 0.44846388132276105
Energy: 0.3716157518111176
Energy: 0.40012982140026265
Energy: 0.3901943561734259
Energy: 0.37067326314049126
Energy: 0.36986053328888413
Energy: 0.40822493304335655
Energy: 0.372875680203986
Energy: 0.3983425433409808
Energy: 0.40588817410840144
Energy: 0.509470255911616
Energy: 0.497259680805735
Energy: 0.37354362157118265
Energy: 0.44273985194511
Energy: 0.3675533838041277
Energy: 0.4007080772684694
Energy: 0.38746157030158845
Energy: 0.400501729579147
Energy: 0.4260272997917881
Energy: 0.4013463715939872
Energy: 0.39614394699414834
Energy: 0.50723481867172
Energy: 0.38531921318134266
Energy: 0.3815078499696718
Energy: 0.48684386852480893
Energy: 0.385461192625075
Energy: 0.38205767781484884
Energy: 0.38941933211915614
Energy: 0.37710687491828676
Energy: 0.3747384571119708
Energy: 0.4149757835239444
Energy: 0.3667850243828996
Energy: 0.4132009444429327
Energy: 0.3942644299399721
Energy: 0.3973372198008277
Energy: 0.3810510316185694
Energy: 0.3895752325235538
Energy: 0.40106466276645203
Energy: 0.38990366944967086
Energy: 0.40154381444315
Energy: 0.3981425903916986
Energy: 0.39731758263462974
Energy: 0.39677976989733205
Energy: 0.4022454479609724
Energy: 0.3665670969714392
Energy: 0.38896940420952836
Energy: 0.4078399856439553
Energy: 0.4027489649077707
Energy: 0.39045731805476896
Energy: 0.39736336100071706
Energy: 0.40544540400382845
Energy: 0.4597793893233731
Energy: 0.40164095438923825
Energy: 0.42800729892548134
Energy: 0.3805803602979866
Energy: 0.39087081125135364
Energy: 0.39246803947944336
Energy: 0.38855387314961637
Energy: 0.3932955416708374
Energy: 0.393390520855181
Energy: 0.3883833032189301
Energy: 0.39784290838571235
Energy: 0.390643362370812
Energy: 0.48085291290696863
Energy: 0.35825120883478984
Energy: 0.3578060049025565
Energy: 0.48121409442727875
Energy: 0.3730507789387288
Energy: 0.36645587515584704
Energy: 0.38556821212835146
Energy: 0.3958705257871334
Energy: 0.38985264792030544
Energy: 0.38794226472270327
Energy: 0.39548788423409953
Energy: 0.399691109055809
Energy: 0.37240044208902245
Energy: 0.39483738197378354
Energy: 0.387852546223812
Energy: 0.3729689106178786
Energy: 0.4336825044068528
Energy: 0.38844265696239133
Energy: 0.37277288694751276
Energy: 0.3951392001755664
Energy: 0.3888447993924752
Energy: 0.3731619285644336
Energy: 0.39329248037413994
Energy: 0.38841377991291826
Energy: 0.3846350953207347
Energy: 0.39468849688965957
Energy: 0.3892884748354859
Energy: 0.3902557246060921
Energy: 0.3944594494719406
Energy: 0.3903659954437211
Energy: 0.40507117993247205
Energy: 0.3665102927283763
Energy: 0.40533149104593946
Energy: 0.4053624367370304
Energy: 0.3663294889877696
Energy: 0.3587493352653014
Energy: 0.3865938820155632
Energy: 0.3868254099816763
Energy: 0.38896674727334296
Energy: 0.395384334544444
Energy: 0.39861196583997166
Energy: 0.3888425565447407
Energy: 0.4066669846435443
Energy: 0.4390920818056017
Energy: 0.3963791789986881
Energy: 0.39017485212230046
Energy: 0.4143091847192745
Energy: 0.3892695609556312
Energy: 0.47010852038026196
Energy: 0.39573614120467154
Energy: 0.40562303970566976
Energy: 0.38917062533651703
Energy: 0.3986796656742986
Energy: 0.405082178750111
Energy: 0.40666290019519014
Energy: 0.40737200041585864
Energy: 0.4068983482257714
Energy: 0.3840086299352683
Energy: 0.4696411505142632
Energy: 0.39146927282718585
Energy: 0.4085182116064098
Energy: 0.4119772833981484
Energy: 0.39144339868387235
Energy: 0.40683031894392147
Energy: 0.40126572257549975
Energy: 0.3912618046634931
Energy: 0.4708110000440701
Energy: 0.3766418452045746
Energy: 0.4040825273552771
Energy: 0.41488625984696686
Energy: 0.35790338955888357
Energy: 0.408289221096918
Energy: 0.42732078911749355
Energy: 0.3812465741950225
Energy: 0.38126875872568655
Energy: 0.3821368595724645
Energy: 0.3832472585175224
Energy: 0.3819406104566707
Energy: 0.4473979086449726
Energy: 0.3875051864748473
Energy: 0.39972184777304637
Energy: 0.410892608342614
Energy: 0.4020945665830879
Energy: 0.40370581457070576
Energy: 0.4014096007047912
Energy: 0.4590877004595296
Energy: 0.43266843450805526
Energy: 0.3752792789951904
Energy: 0.4580504454214606
Energy: 0.4108596106578418
Energy: 0.3922867455177349
Energy: 0.395310933684501
Energy: 0.36577253128182186
Energy: 0.40926399444685524
Energy: 0.36808814306435056
Energy: 0.3655517089878679
Energy: 0.43722839486988957
Energy: 0.397771290092165
Energy: 0.3661327922816487
Energy: 0.4061750289878587
Energy: 0.36677565265853707
Energy: 0.3660921430720917
Energy: 0.3935340230790581
Energy: 0.3703034647414629
Energy: 0.3697289872521478
Energy: 0.3502737801236846
Energy: 0.4278329905688351
Energy: 0.35655005893507075
Energy: 0.39287990002654694
Energy: 0.37593564297060333
Energy: 0.39944999114839114
Energy: 0.39532744196153186
Energy: 0.375614833076292
Energy: 0.3559268462266526
Energy: 0.4659780189004535
Energy: 0.35826126021196536
Energy: 0.3595681976529874
Energy: 0.4723348062463153
Energy: 0.372542307102582
Energy: 0.3944414217179713
Energy: 0.3892661804894217
Energy: 0.3737420367178573
Energy: 0.37292787700385593
Energy: 0.36955650664819056
Energy: 0.36654651476571376
Energy: 0.3731936000951929
Energy: 0.4189461496440785
Energy: 0.39068563946252693
Energy: 0.38309113911730075
Energy: 0.37462679150507106
Energy: 0.4179034830659523
Energy: 0.3990392122701289

minimum gb energy = 0.34652517423338663 eV
minimum distance =  2.71675804291273 Angstroms
sigma value = 43


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

Energy: 0.4509385484568098
Energy: 0.45242124611339274
Energy: 0.4071149010247409
Energy: 0.36538159260157643
Energy: 0.4464204620993347
Energy: 0.3622988314836176
Energy: 0.3379976896037797
Energy: 0.3716037329178722
Energy: 0.38175203797908064
Energy: 0.3794458084572725
Energy: 0.34633894037647195
Energy: 0.3749398159084256
Energy: 0.38106071087680954
Energy: 0.337791019074781
Energy: 0.3380949391101832
Energy: 0.38379919994733797
Energy: 0.3918898641161818
Energy: 0.34768977222284586
Energy: 0.3473367612501083
Energy: 0.36709969858188696
Energy: 0.34715998021777716
Energy: 0.34799805591867106
Energy: 0.4005541104902047
Energy: 0.34723591490025996
Energy: 0.3466941265629115
Energy: 0.3752251660333813
Energy: 0.3624556221634628
Energy: 0.34669144922811007
Energy: 0.34721665775070154
Energy: 0.365272226059772
Energy: 0.3470621422499942
Energy: 0.34698896330998935
Energy: 0.3827737934056784
Energy: 0.3472381344671695
Energy: 0.3469562135492664
Energy: 0.3844096920367093
Energy: 0.3490192937152393
Energy: 0.3469813010610529
Energy: 0.3467883938064205
Energy: 0.3496048746957425
Energy: 0.3478759318511757
Energy: 0.3468727846873275
Energy: 0.3761749115624131
Energy: 0.3485443372963617
Energy: 0.3488363669936401
Energy: 0.3725219983361395
Energy: 0.348519130573567
Energy: 0.3480723330875757
Energy: 0.34832754439821606
Energy: 0.3469514045283491
Energy: 0.348294476405851
Energy: 0.3486170734903293
Energy: 0.3485840082004257
Energy: 0.3753588953211782
Energy: 0.47677175568360775
Energy: 0.37662474182883887
Energy: 0.3769714449565997
Energy: 0.3938948629742254
Energy: 0.37646712121597237
Energy: 0.3848769519140226
Energy: 0.33806479669654177
Energy: 0.3493197233732323
Energy: 0.39531502588348444
Energy: 0.33825960316387427
Energy: 0.340662388755714
Energy: 0.3466077680850998
Energy: 0.3551387658679007
Energy: 0.3483126858004239
Energy: 0.34822013158639603
Energy: 0.3385453139644072
Energy: 0.3476361838906324
Energy: 0.3759687168527168
Energy: 0.35614405632753643
Energy: 0.34765445325014677
Energy: 0.35578058407144086
Energy: 0.39185382526330204
Energy: 0.3773904493445372
Energy: 0.3554940135331484
Energy: 0.3380114400971158
Energy: 0.3481287719575312
Energy: 0.347741160638935
Energy: 0.33810758892313514
Energy: 0.34907815331537495
Energy: 0.3821755991850022
Energy: 0.3386333198223295
Energy: 0.368147949343857
Energy: 0.3478122946117294
Energy: 0.3388637645413592
Energy: 0.4502962952762691
Energy: 0.3398859964434294
Energy: 0.3388188620225848
Energy: 0.3383293133847945
Energy: 0.3381563737778592
Energy: 0.33957233550165294
Energy: 0.34791651563432757
Energy: 0.3381414636976084
Energy: 0.3392342297257716
Energy: 0.3392876324694201
Energy: 0.33911115570907147
Energy: 0.3393567559276327
Energy: 0.3758847320067811
Energy: 0.33905939582962996
Energy: 0.3449212400551534
Energy: 0.3710406675721624
Energy: 0.39507558406473064
Energy: 0.3504496865448183
Energy: 0.33916861263495096
Energy: 0.33823728688865673
Energy: 0.3468955161736337
Energy: 0.37280009125063146
Energy: 0.3726693343883502
Energy: 0.3415343036962276
Energy: 0.33981475090995056
Energy: 0.3759640506748329
Energy: 0.3466198514461429
Energy: 0.3393188656456504
Energy: 0.37220244533317726
Energy: 0.3724219487933874
Energy: 0.34222189682965426
Energy: 0.37603484721913016
Energy: 0.343179714429281
Energy: 0.37249995303077227
Energy: 0.39576430559938525
Energy: 0.35057867936264125
Energy: 0.35721072697734596
Energy: 0.3956966202025845
Energy: 0.4278061534215581
Energy: 0.3566505977364398
Energy: 0.35691840043936857
Energy: 0.4283502818002685
Energy: 0.3390230130675641
Energy: 0.3935640835844777
Energy: 0.37923744651145075
Energy: 0.3716288698518387
Energy: 0.3947620205588469
Energy: 0.37786602898284316
Energy: 0.3503165111250284
Energy: 0.3945415950044222
Energy: 0.3986329144143454
Energy: 0.4016255454280886
Energy: 0.33920624511420744
Energy: 0.3373636093172438
Energy: 0.3392243310151535
Energy: 0.3390918376561415
Energy: 0.37724537859998936
Energy: 0.3383080570401609
Energy: 0.33820770697997865
Energy: 0.3519799061033997
Energy: 0.34082042193577156
Energy: 0.33814222113070197
Energy: 0.37834376719319585
Energy: 0.33851371598596025
Energy: 0.3387402731593043
Energy: 0.3472627107096941
Energy: 0.33827433051487227
Energy: 0.361258008176601
Energy: 0.37827005109564593
Energy: 0.3390415304460564
Energy: 0.33872744702289953
Energy: 0.3468543483880467
Energy: 0.3388661319827708
Energy: 0.36091510657791265
Energy: 0.38863234859210133
Energy: 0.38188999912068167
Energy: 0.37540179167158566
Energy: 0.34702840983795735
Energy: 0.34826637045415354
Energy: 0.37570263951300614
Energy: 0.3975869692989793
Energy: 0.34757503216355023
Energy: 0.3476731067305364
Energy: 0.4133131655240452
Energy: 0.37081351751597846
Energy: 0.35048109515597736
Energy: 0.3477992882886313
Energy: 0.3898927171254585
Energy: 0.37532135491907315
Energy: 0.347574747989329
Energy: 0.3463417631238304
Energy: 0.37559304181955644
Energy: 0.45499337118290006
Energy: 0.400124756857199
Energy: 0.4017313480149673
Energy: 0.35674931350117883
Energy: 0.411974915381586
Energy: 0.3998218785718563

minimum gb energy = 0.3373636093172438 eV
minimum distance =  2.73027653373447 Angstroms
sigma value = 57


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

Energy: 0.4090021616802088
Energy: 0.378830926046169
Energy: 0.37884934714660007
Energy: 0.48049064253518314
Energy: 0.6006240250731439
Energy: 0.37714183845103244
Energy: 0.32772516876197977
Energy: 0.35722535845520625
Energy: 0.3526899517220088
Energy: 0.3562715848856279
Energy: 0.35574557900426157
Energy: 0.3870660981784575
Energy: 0.37877000529822047
Energy: 0.32673572290562564
Energy: 0.3269582680657605
Energy: 0.38993404897638473
Energy: 0.37771572433115863
Energy: 0.3268849928842518
Energy: 0.35272076282918896
Energy: 0.32655919849566123
Energy: 0.32621448538955655
Energy: 0.35343407837722973
Energy: 0.3634296376442172
Energy: 0.35162447150843784
Energy: 0.35188135792433345
Energy: 0.3357702324555908
Energy: 0.3349356991660927
Energy: 0.3520881781134486
Energy: 0.3364473586740051
Energy: 0.3351903882130538
Energy: 0.3267357381210268
Energy: 0.33713846792445007
Energy: 0.3359937177071292
Energy: 0.3342811510066871
Energy: 0.3526074454083611
Energy: 0.36410601603683485
Energy: 0.35654689353185526
Energy: 0.35602834296002994
Energy: 0.3513862793642979
Energy: 0.3900354559959057
Energy: 0.3535101235527335
Energy: 0.35129317395328036
Energy: 0.35238524204552657
Energy: 0.3789283829772141
Energy: 0.35474253843750553
Energy: 0.33484288878422336
Energy: 0.3779039111178699
Energy: 0.3521755476193607
Energy: 0.3554371322941675
Energy: 0.3544159853789997
Energy: 0.35322471988174015
Energy: 0.3556736938153938
Energy: 0.3563216820457877
Energy: 0.3868300477178435
Energy: 0.35440431745764034
Energy: 0.3871106203237524
Energy: 0.3521363939323241
Energy: 0.35453851955708415
Energy: 0.35222907389513164
Energy: 0.3517571965594169
Energy: 0.38883084209274976
Energy: 0.38745182896291425
Energy: 0.388039750435174
Energy: 0.35730910227928947
Energy: 0.35760260396113097
Energy: 0.3528716428908107
Energy: 0.32683850669142944
Energy: 0.3541924934367101
Energy: 0.3528709660939562
Energy: 0.32696999995627885
Energy: 0.35845925310300625
Energy: 0.3742430625128835
Energy: 0.3281941594252703
Energy: 0.35623531561949934
Energy: 0.37558199743334625
Energy: 0.328142957148235
Energy: 0.3570139152471573
Energy: 0.375108695081348
Energy: 0.3875510268197647
Energy: 0.3567785528749414
Energy: 0.3869942484775108
Energy: 0.35532207889065487
Energy: 0.3559908293392635
Energy: 0.35409977087612515
Energy: 0.3587286884284132
Energy: 0.32742127008197824
Energy: 0.4530706453476537
Energy: 0.3518378599712649
Energy: 0.3269878993854136
Energy: 0.4506783942075199
Energy: 0.3522467916634177
Energy: 0.3357061008459731
Energy: 0.36275758289949983
Energy: 0.35299186846171415
Energy: 0.3366193769617649
Energy: 0.351523161606648
Energy: 0.3524698301670109
Energy: 0.3352315933423839
Energy: 0.36448810838056417
Energy: 0.3526249893249328
Energy: 0.3638059290090742
Energy: 0.33511604240810766
Energy: 0.35177725120179815
Energy: 0.35295672587166793
Energy: 0.36365899368876065
Energy: 0.3524362162918109
Energy: 0.35249445250974326
Energy: 0.33431233027743595
Energy: 0.3554383510122643
Energy: 0.3519876532627206
Energy: 0.3519622343850685
Energy: 0.3558929584635415
Energy: 0.35350917161698225
Energy: 0.35168210813239503
Energy: 0.3553753583709634
Energy: 0.3541605391445875
Energy: 0.35276831518346013
Energy: 0.3556950118192553
Energy: 0.3528161502722081
Energy: 0.35295735713349535
Energy: 0.35672507872867615
Energy: 0.3540172541565748
Energy: 0.3884777133893418
Energy: 0.35710884907212004
Energy: 0.35687371770045734
Energy: 0.3875098362069169
Energy: 0.36630200549390685
Energy: 0.353411810007119
Energy: 0.35295091919173055
Energy: 0.39064190468277216
Energy: 0.3528283069042706
Energy: 0.4172745419679433
Energy: 0.38894933125619424
Energy: 0.35456218331956496
Energy: 0.3871115947183062
Energy: 0.3562760956734992
Energy: 0.35599875679408455
Energy: 0.38698565937184737
Energy: 0.3283883750172596
Energy: 0.38963104577505764
Energy: 0.37526319059038055
Energy: 0.32852893530655913
Energy: 0.3892203149698611
Energy: 0.37485301523912246

minimum gb energy = 0.32621448538955655 eV
minimum distance =  2.75468270446093 Angstroms
sigma value = 17


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

Energy: 0.4390080689372823
Energy: 0.4003467356836576
Energy: 0.4179628989163088
Energy: 0.33358227889584635
Energy: 0.4325971597209437
Energy: 0.3677441035833737
Energy: 0.33823034685726516
Energy: 0.3707177417297518
Energy: 0.3675337585409952
Energy: 0.372492557827516
Energy: 0.36866663471357297
Energy: 0.38636648092666787
Energy: 0.47122474721026814
Energy: 0.3329007362264611
Energy: 0.3331281376927079
Energy: 0.36847846417596103
Energy: 0.33317063271667696
Energy: 0.3332827434437613
Energy: 0.3710177200849551
Energy: 0.33248127272424893
Energy: 0.33276824118399
Energy: 0.3717673520409996
Energy: 0.32540250286457634
Energy: 0.3677295714735307
Energy: 0.33023989886957594
Energy: 0.32918098505515514
Energy: 0.32882186744682934
Energy: 0.3308396461306075
Energy: 0.3290538919020285
Energy: 0.32836958541274897
Energy: 0.3325896095546685
Energy: 0.328885588105989
Energy: 0.34958264274238704
Energy: 0.36156673575694925
Energy: 0.3286886444214079
Energy: 0.34686945417874837
Energy: 0.3328949435681559
Energy: 0.3306002652512233
Energy: 0.32774823035501593
Energy: 0.3311736619438283
Energy: 0.32976462996283784
Energy: 0.3280360187467895
Energy: 0.3288970215588225
Energy: 0.3522341616345486
Energy: 0.3690475986142458
Energy: 0.34727257578161946
Energy: 0.3466671207413974
Energy: 0.3485335774891457
Energy: 0.32878565263019244
Energy: 0.33153269955822234
Energy: 0.32884713395568577
Energy: 0.3295315634945032
Energy: 0.3313461023185121
Energy: 0.3277794159529363
Energy: 0.32862939299057486
Energy: 0.34940484898181395
Energy: 0.3493182457386631
Energy: 0.32881280638815913
Energy: 0.3654304753003807
Energy: 0.3490130163525301
Energy: 0.3960423409798055
Energy: 0.3425348757295696
Energy: 0.3494773555719283
Energy: 0.3296713908362402
Energy: 0.33069537805310906
Energy: 0.32863839262855676
Energy: 0.33267059755051115
Energy: 0.36788911649017786
Energy: 0.36779626288842704
Energy: 0.32930675630740575
Energy: 0.3712484112313397
Energy: 0.3675512242147048
Energy: 0.36846719782710363
Energy: 0.3681261794898408
Energy: 0.367754121227837
Energy: 0.34106837979667853
Energy: 0.3677224810970225
Energy: 0.368177590959696
Energy: 0.3732889458054101
Energy: 0.36748053037223954
Energy: 0.36755919519396624
Energy: 0.3737153351697247
Energy: 0.3705412029019353
Energy: 0.36759360174868394
Energy: 0.42928639279023156
Energy: 0.37291852652929863
Energy: 0.36500383873868497
Energy: 0.3712366453114454
Energy: 0.3727382653771792
Energy: 0.3651685345317413
Energy: 0.41268128871487975
Energy: 0.38169177743191757
Energy: 0.41254551458726363
Energy: 0.372887149714491
Energy: 0.37202703141662985
Energy: 0.3676669654230495
Energy: 0.36822346365659087
Energy: 0.36809739346880854
Energy: 0.4014132540212526
Energy: 0.3689553717858434
Energy: 0.37081696228421623
Energy: 0.4016766358482958

minimum gb energy = 0.32540250286457634 eV
minimum distance =  2.74997794488564 Angstroms
sigma value = 17


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

Energy: 0.30709526393696807
Energy: 0.38409606462932044
Energy: 0.3412679283814132
Energy: 0.34964631005494445
Energy: 0.5321074306833892
Energy: 0.34186366062613655
Energy: 0.38089113951763887
Energy: 0.36526369264781106
Energy: 0.366634542749399
Energy: 0.36530910139262296
Energy: 0.36267051047884924
Energy: 0.3443714474800635
Energy: 0.4357453788315237
Energy: 0.33974804372685086
Energy: 0.330619910302398
Energy: 0.35212775663256646
Energy: 0.33945300513508975
Energy: 0.328050522958167
Energy: 0.3640813241858927
Energy: 0.3277286967908228
Energy: 0.3273875890798129
Energy: 0.3645320026868025
Energy: 0.30819917967335836
Energy: 0.334707898712476
Energy: 0.3222239981553291
Energy: 0.3197539367991375
Energy: 0.32109315539537037
Energy: 0.32231031959850276
Energy: 0.3181524854438964
Energy: 0.33538906164421184
Energy: 0.3275825294248796
Energy: 0.3251685586751445
Energy: 0.32810129715077974
Energy: 0.3331669992476452
Energy: 0.3247296064398437
Energy: 0.32149966339569785
Energy: 0.3094782567634043
Energy: 0.320421757547083
Energy: 0.3225363846643773
Energy: 0.30626077432944904
Energy: 0.3184035161792307
Energy: 0.33808571962229356
Energy: 0.40405269415603845
Energy: 0.33726644521580623
Energy: 0.3367774471061127
Energy: 0.3365148883070354
Energy: 0.33867506683233356
Energy: 0.3376805965578797
Energy: 0.30312414756580214
Energy: 0.3358269278155184
Energy: 0.3026063670249096
Energy: 0.3035423232986418
Energy: 0.30478548507698516
Energy: 0.30859639523905635
Energy: 0.30883529012885014
Energy: 0.3388993530134933
Energy: 0.33924385839826127
Energy: 0.30923471599289304
Energy: 0.3402699175943349
Energy: 0.3395894627632132
Energy: 0.3036843909587141
Energy: 0.30909546770709834
Energy: 0.3284527368672914
Energy: 0.3395068211668113
Energy: 0.3080845848403471
Energy: 0.33885502302663634
Energy: 0.3038153828847182
Energy: 0.3067343515371878
Energy: 0.3084158387907597
Energy: 0.3049246695885889
Energy: 0.30459779610676235
Energy: 0.30261262682330514
Energy: 0.3193409453349452
Energy: 0.3238780373679899
Energy: 0.32465574431337013
Energy: 0.3167029808186595
Energy: 0.3250379544319117
Energy: 0.3370541422442909
Energy: 0.3168027559164323
Energy: 0.32440118280433144
Energy: 0.32364259286538016
Energy: 0.31758633577318296
Energy: 0.3065336543311989
Energy: 0.3233839915418081
Energy: 0.3252309038885787
Energy: 0.33706445525809725
Energy: 0.33649423901875464
Energy: 0.32456401274418395
Energy: 0.3370735268899941
Energy: 0.33304920716173153
Energy: 0.41806518092396255
Energy: 0.3343981883261303
Energy: 0.33224935733852706
Energy: 0.31759594209532904
Energy: 0.33589110370871117
Energy: 0.3344068229058641
Energy: 0.3032486325975948
Energy: 0.36748048955196855
Energy: 0.36828411223228436
Energy: 0.30418326904131193
Energy: 0.3662109897569642
Energy: 0.32531912210793856
Energy: 0.3229689840522217
Energy: 0.3521139199882529
Energy: 0.3692981062265233
Energy: 0.323149623917745
Energy: 0.3497011985610238
Energy: 0.3382891027161018
Energy: 0.40997356785765854
Energy: 0.3677807498181154
Energy: 0.3445243979775373
Energy: 0.3617930697707701
Energy: 0.3226492062740416
Energy: 0.3334974238923658
Energy: 0.43843104931148297
Energy: 0.3236899023432278
Energy: 0.3258014339081561
Energy: 0.3652058722669465
Energy: 0.3216705512182234
Energy: 0.3690607335638677
Energy: 0.4369853319721404
Energy: 0.36604388219139433
Energy: 0.3680363935058294
Energy: 0.36188181422082855
Energy: 0.36558188289276417
Energy: 0.3674344571138782
Energy: 0.3064458169342577
Energy: 0.35384400809732147
Energy: 0.39387318434492474
Energy: 0.3356969947929238
Energy: 0.36018915733374596
Energy: 0.32896551059220647
Energy: 0.3084088609349322
Energy: 0.3663053264533777
Energy: 0.3680217648707272
Energy: 0.30831659289860736
Energy: 0.3643882893076086
Energy: 0.3935291508922128
Energy: 0.4352229967797566
Energy: 0.33632633306938753
Energy: 0.361129298949257
Energy: 0.3852879933525285
Energy: 0.3097470216074976
Energy: 0.3676459666158576
Energy: 0.3680331171790616
Energy: 0.3215776634894022
Energy: 0.3401583054610766
Energy: 0.36839845797245063
Energy: 0.33775142869186553
Energy: 0.3281131165505972
Energy: 0.36272506031193447
Energy: 0.32002937756597694
Energy: 0.3205792272891386
Energy: 0.36326658774312093
Energy: 0.3187487660479371
Energy: 0.3352000016598122
Energy: 0.3287185691950376
Energy: 0.321806494035159
Energy: 0.31908618442382247
Energy: 0.33460310761980666
Energy: 0.3513665865965767
Energy: 0.32301008050203645
Energy: 0.3187566567947366
Energy: 0.32028418956025556
Energy: 0.322869695009889
Energy: 0.30158236704341174
Energy: 0.31850274807374485
Energy: 0.32339570317499744
Energy: 0.3626837707173798
Energy: 0.325385739387961
Energy: 0.3396578696322953
Energy: 0.3043375093740301
Energy: 0.3243267340662027
Energy: 0.337929418015518
Energy: 0.3074476986589136
Energy: 0.3369413857637803
Energy: 0.3380860019508645
Energy: 0.3077623287347019
Energy: 0.3384691899198251
Energy: 0.3028216501578644
Energy: 0.3044274125991993
Energy: 0.3366796521662535
Energy: 0.34230744940119945
Energy: 0.3048692171254317
Energy: 0.33736531633042177
Energy: 0.3088926699875472
Energy: 0.32293523078384223
Energy: 0.33685596636504117
Energy: 0.33696100958123376
Energy: 0.34822745908638075
Energy: 0.30277516431559914
Energy: 0.33794797443369956
Energy: 0.30608652475295584
Energy: 0.305121486328273
Energy: 0.3074101185145145
Energy: 0.30640101261258346
Energy: 0.30291247620272127
Energy: 0.3094121969847464
Energy: 0.3206849218522875
Energy: 0.33095527517766576
Energy: 0.33839357977693263
Energy: 0.3377960499659331
Energy: 0.311096837830856
Energy: 0.3400462381610713
Energy: 0.3200547588833088
Energy: 0.32346952237185034
Energy: 0.32473842259956004
Energy: 0.3206625221042841
Energy: 0.32289387743605424
Energy: 0.3228585740529345
Energy: 0.32131898459517194
Energy: 0.3388240437084208
Energy: 0.33338372570657726
Energy: 0.3220091682565065
Energy: 0.3401892399647717
Energy: 0.32412780558710774
Energy: 0.41939926264870686
Energy: 0.3323544006508222
Energy: 0.33724801108969865
Energy: 0.31996128422370457
Energy: 0.3224407243176601
Energy: 0.3356584636707186
Energy: 0.30598981852408713
Energy: 0.36463435129550364
Energy: 0.36695059208281433
Energy: 0.32222547158999953
Energy: 0.36341037010061583
Energy: 0.33358663208216777
Energy: 0.3224414862750968
Energy: 0.37154498305383976
Energy: 0.3217938035541848
Energy: 0.3422214252108826
Energy: 0.37057903124427916
Energy: 0.32285867377857647
Energy: 0.4138210002963018
Energy: 0.36527685433825063
Energy: 0.3670766738806883
Energy: 0.3636596656673844
Energy: 0.3634379437025464
Energy: 0.34344163468656425
Energy: 0.4147271115218304
Energy: 0.33346112195499233
Energy: 0.35392592920220584
Energy: 0.36517965660402774
Energy: 0.3332556162114381
Energy: 0.36221632500657996
Energy: 0.4342581276026269
Energy: 0.33705319533103656
Energy: 0.36147806419995354
Energy: 0.3477918340943512
Energy: 0.32284646375339876
Energy: 0.3689994779459881
Energy: 0.3087969189722278
Energy: 0.36618706774831283
Energy: 0.3680906280779993
Energy: 0.3093704845353249
Energy: 0.34820883092841937
Energy: 0.40264215386905083

minimum gb energy = 0.30158236704341174 eV
minimum distance =  2.73235608304799 Angstroms
sigma value = 57


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

Energy: 0.3483620759003728
Energy: 0.36980918398847756
Energy: 0.3400831926045801
Energy: 0.31656081771455247
Energy: 0.4822672585702039
Energy: 0.3397566797956981
Energy: 0.4013487559874583
Energy: 0.34967585947808855
Energy: 0.31592571495616145
Energy: 0.33452117989646485
Energy: 0.34827103185306596
Energy: 0.3180368990432165
Energy: 0.40678042704203876
Energy: 0.3198773679837168
Energy: 0.31828591868546463
Energy: 0.34497035507942375
Energy: 0.3280308675400448
Energy: 0.3303511425199267
Energy: 0.35091427539764414
Energy: 0.318970258206086
Energy: 0.3270720439396576
Energy: 0.35142338166401527
Energy: 0.31614817065808837
Energy: 0.32654559404759903
Energy: 0.30495375224337956
Energy: 0.30845003707758906
Energy: 0.3100175678465971
Energy: 0.30531202146665853
Energy: 0.3068843864123011
Energy: 0.3201562072072919
Energy: 0.2785420096424359
Energy: 0.31579498243408005
Energy: 0.3124694830529691
Energy: 0.31723621888029274
Energy: 0.3147082703099027
Energy: 0.33447361582647495
Energy: 0.3776537482281406
Energy: 0.3090790896972049
Energy: 0.311118679795531
Energy: 0.33317304621450716
Energy: 0.30712202968971497
Energy: 0.3230045986205636
Energy: 0.376187402481041
Energy: 0.31294126061856536
Energy: 0.31206515447593325
Energy: 0.3135206915952205
Energy: 0.31362480668444465
Energy: 0.3187537197651294
Energy: 0.2883806616197177
Energy: 0.3066550384687984
Energy: 0.2956624643516016
Energy: 0.2887257567894086
Energy: 0.29191020391211386
Energy: 0.29355973164924304
Energy: 0.2946091829899914
Energy: 0.298910051118578
Energy: 0.2990894754471059
Energy: 0.2943642232028832
Energy: 0.29884054699687235
Energy: 0.30940890109843877
Energy: 0.2818913874624378
Energy: 0.2867575336317544
Energy: 0.28645113407727285
Energy: 0.31910994807797455
Energy: 0.28536307295037633
Energy: 0.3151312923666221
Energy: 0.2885832700883648
Energy: 0.28257245709456996
Energy: 0.2850382559727738
Energy: 0.28528703792563836
Energy: 0.2827654794334908
Energy: 0.3029945152002074
Energy: 0.28901812281980965
Energy: 0.3166772959932796
Energy: 0.3136476170602511
Energy: 0.32946062226413314
Energy: 0.31913159731090934
Energy: 0.31367277075372446
Energy: 0.2797206360008758
Energy: 0.31354541075310804
Energy: 0.28812317600350135
Energy: 0.28044581007642316
Energy: 0.2843790555028871
Energy: 0.2851192236513761
Energy: 0.28710428642626656
Energy: 0.31387682316331683
Energy: 0.31469727865239555
Energy: 0.287162263750552
Energy: 0.3149031969678595
Energy: 0.3137030804187378
Energy: 0.3695141549510688
Energy: 0.2928963559281086
Energy: 0.3079539199543183
Energy: 0.3218559986451678
Energy: 0.2917948216400241
Energy: 0.32289650975772405
Energy: 0.29334789766195024
Energy: 0.2915097462321503
Energy: 0.2939367659307723
Energy: 0.297897570373636
Energy: 0.29067074676331034
Energy: 0.29617020105353986
Energy: 0.30509979433755396
Energy: 0.29037180351749237
Energy: 0.31329265443237647
Energy: 0.2936803911377458
Energy: 0.28943070866070336
Energy: 0.3125829123762125
Energy: 0.30584139656745873
Energy: 0.3128295905962764
Energy: 0.31498364842652066
Energy: 0.30661502655021405
Energy: 0.29178359345517657
Energy: 0.3115005598349388
Energy: 0.39270182187831515
Energy: 0.3124855090945797
Energy: 0.31815724871144263
Energy: 0.3121919740565756
Energy: 0.3125383426964519
Energy: 0.3213404622044071
Energy: 0.38941661080962264
Energy: 0.31636400363458567
Energy: 0.33496606413491314
Energy: 0.3060837937529814
Energy: 0.3073830735092795
Energy: 0.31945632822970627
Energy: 0.28024314061068195
Energy: 0.3558303821146262
Energy: 0.31387609756789164
Energy: 0.326224603565997
Energy: 0.35441214531875653
Energy: 0.3150576848953648
Energy: 0.31220309656155115
Energy: 0.35210448107952613
Energy: 0.36038006526918975
Energy: 0.3124568627058902
Energy: 0.3668424506847208
Energy: 0.3621215319421196
Energy: 0.38780803644460216
Energy: 0.31149650294772613
Energy: 0.31948452501365726
Energy: 0.3485470593347655
Energy: 0.31224171681662644
Energy: 0.317090495912047
Energy: 0.4102897543458721
Energy: 0.3236872345021084
Energy: 0.3248564897637849
Energy: 0.3451746875503211
Energy: 0.323268050276192
Energy: 0.34781213571817193
Energy: 0.4070552176390265
Energy: 0.35262625410449416
Energy: 0.3526193231073272
Energy: 0.3479617047500631
Energy: 0.35010635948351493
Energy: 0.3365933048023046
Energy: 0.281662552376834
Energy: 0.34200723714832854
Energy: 0.32789721583266757
Energy: 0.3243470137324146
Energy: 0.34523567291815904
Energy: 0.32949697702367253

minimum gb energy = 0.2785420096424359 eV
minimum distance =  2.72695472823299 Angstroms
sigma value = 43


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

Energy: 0.23904901252927188
Energy: 0.31804822628690665
Energy: 0.29469095271517176
Energy: 0.2883769663170326
Energy: 0.3893511578681181
Energy: 0.2824849864489371
Energy: 0.3320851442227463
Energy: 0.2802176703255024
Energy: 0.2803108097819998
Energy: 0.29039802308494017
Energy: 0.2677970674200497
Energy: 0.2698619274018087
Energy: 0.34417273571816903
Energy: 0.26074191700683724
Energy: 0.26678178539672237
Energy: 0.2926095797782141
Energy: 0.2661823231901038
Energy: 0.2624298518440789
Energy: 0.30222137699274615
Energy: 0.265861154795768
Energy: 0.26160445062236515
Energy: 0.2670306624911814
Energy: 0.2605897206338274
Energy: 0.2771875583002751
Energy: 0.30203086107395916
Energy: 0.26907757488741985
Energy: 0.27234383514737687
Energy: 0.2993067877873148
Energy: 0.26771400276932866
Energy: 0.2718952572905974
Energy: 0.23382385136994607
Energy: 0.26487130034950285
Energy: 0.25980213372719313
Energy: 0.2638804930928255
Energy: 0.26488335729789425
Energy: 0.2593004399082096
Energy: 0.32092420346863454
Energy: 0.2705185421666411
Energy: 0.2654970869875473
Energy: 0.2643222510350391
Energy: 0.26866453100377635
Energy: 0.27745484680165367
Energy: 0.31690555288035127
Energy: 0.25701838420663187
Energy: 0.257769697159139
Energy: 0.2693654073838704
Energy: 0.26678253929936635
Energy: 0.2577059833004914
Energy: 0.24939390622011906
Energy: 0.2583861583570959
Energy: 0.24763747410622985
Energy: 0.24977992121371062
Energy: 0.25685712800332766
Energy: 0.24859522076501425
Energy: 0.24745353549675353
Energy: 0.24583232907169483
Energy: 0.26001928053202944
Energy: 0.24754838921719624
Energy: 0.23970014855314745
Energy: 0.2552431717810038
Energy: 0.2320119519870526
Energy: 0.23914121159369933
Energy: 0.2382634306093783
Energy: 0.2658757450983614
Energy: 0.24594586473975705
Energy: 0.2556867954038504
Energy: 0.3093067961880188
Energy: 0.24315441839925475
Energy: 0.2386410368736302
Energy: 0.28963123236495975
Energy: 0.2414485088037885
Energy: 0.26927241560142323
Energy: 0.3086800423142021
Energy: 0.2667978981795905
Energy: 0.26045910909222286
Energy: 0.3097241891619299
Energy: 0.26454040220812103
Energy: 0.2649884335438675
Energy: 0.23396766279615178
Energy: 0.26448411959432294
Energy: 0.23383051700682406
Energy: 0.23446287126943127
Energy: 0.24283227963458764
Energy: 0.2340075307883569
Energy: 0.23341072086247835
Energy: 0.2622441912260498
Energy: 0.2614995893027096
Energy: 0.2336389587996479
Energy: 0.2619547730987449
Energy: 0.2622468327839807
Energy: 0.23330662493191395
Energy: 0.23786765657058756
Energy: 0.23228667851840454
Energy: 0.2641428797612179
Energy: 0.23657957535551072
Energy: 0.26341071543962685
Energy: 0.2357053889010089
Energy: 0.23682786440848613
Energy: 0.23189266791597934
Energy: 0.3088986396558604
Energy: 0.2357629377487128
Energy: 0.2637163380954238
Energy: 0.30563997752481725
Energy: 0.2634704618232415
Energy: 0.2640541151572852
Energy: 0.3062461795969635
Energy: 0.26492544141996843
Energy: 0.26360273977826204
Energy: 0.2318657840890694
Energy: 0.2735399263950141
Energy: 0.23177692558807064
Energy: 0.23238487104581532
Energy: 0.30141656692459295
Energy: 0.23740878010384847
Energy: 0.30682866810251047
Energy: 0.26135694974726315
Energy: 0.25658039357058676
Energy: 0.307263230561239
Energy: 0.26647496632608686
Energy: 0.26299238612889836
Energy: 0.30914802626688326
Energy: 0.23914074250119013
Energy: 0.23386122860777728
Energy: 0.2874448652148507
Energy: 0.23773845071814081
Energy: 0.26557893396690957
Energy: 0.23265790071645123
Energy: 0.2339142516948554
Energy: 0.23410272635003918
Energy: 0.25890499523474586
Energy: 0.23873625079101196
Energy: 0.26493173187489844
Energy: 0.23855409760010027
Energy: 0.26131127390767445
Energy: 0.2620459421909811
Energy: 0.23840125475888652
Energy: 0.26082402952479444
Energy: 0.2585486717368154
Energy: 0.23876450416945627
Energy: 0.2691239602920111
Energy: 0.2387827742355288
Energy: 0.23925801607226474
Energy: 0.25178091686220044
Energy: 0.2391999887120874
Energy: 0.31118291878936744
Energy: 0.2638841015426688
Energy: 0.26967023001373713
Energy: 0.2662738457816742
Energy: 0.25993900167100165
Energy: 0.2726512173377524
Energy: 0.312501297643241
Energy: 0.25300944167114675
Energy: 0.2482158647972839
Energy: 0.2567469432434402
Energy: 0.2515621117059902
Energy: 0.2756424433677228
Energy: 0.2328901975695402
Energy: 0.2486226542813205
Energy: 0.2477776834359718
Energy: 0.26773775045589676
Energy: 0.24824508441488866
Energy: 0.2580739757305675
Energy: 0.27912228908375736
Energy: 0.2554667570523981
Energy: 0.25842720895287435
Energy: 0.2842373492084594
Energy: 0.24937295494965958
Energy: 0.261047652719789
Energy: 0.2677598741575954
Energy: 0.2624151192103421
Energy: 0.2651970109867013
Energy: 0.26821371290532464
Energy: 0.2846017592085602
Energy: 0.2651333878141105
Energy: 0.32874172031039683
Energy: 0.25895593575495535
Energy: 0.26233533490583183
Energy: 0.27174681184010674
Energy: 0.26366490075590304
Energy: 0.2624495899415109
Energy: 0.3323979612339552
Energy: 0.29048533559572376
Energy: 0.2703594325616914
Energy: 0.2699339710875776
Energy: 0.26789035479254575
Energy: 0.269591999964875
Energy: 0.23592195486058817
Energy: 0.2933962181635267
Energy: 0.2665144790117411
Energy: 0.26134520687192625
Energy: 0.2978545489980314
Energy: 0.26396429167852153
Energy: 0.30018059620983745
Energy: 0.30316867799501074
Energy: 0.28944190870437925
Energy: 0.2676339872851492
Energy: 0.30187750711288736
Energy: 0.28909732824791523
Energy: 0.32827266984002257
Energy: 0.27307584452805755
Energy: 0.2685476106163961
Energy: 0.26684056369457126
Energy: 0.2721224660597989
Energy: 0.28892183071842326
Energy: 0.34386255569921703
Energy: 0.2652515984421637
Energy: 0.2742573235672196
Energy: 0.29051130452897467
Energy: 0.28613889621285626
Energy: 0.2749029801631167
Energy: 0.31946669202344274
Energy: 0.3034598350663886
Energy: 0.2892116538721496
Energy: 0.29002425353814504
Energy: 0.3023158630723577
Energy: 0.2883900178821441

minimum gb energy = 0.23177692558807064 eV
minimum distance =  2.7268178746811 Angstroms
sigma value = 81


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

Energy: 0.14920657422646197
Energy: 0.16291319160941847
Energy: 0.04116007520788963
Energy: 0.04168260037688537
Energy: 0.2583192066631606
Energy: 0.15006172269969018
Energy: 0.16037721175816977
Energy: 0.2581413132347751
Energy: 0.2544940272792049
Energy: 0.2599167612341552
Energy: 0.25560065276444144
Energy: 0.2571882303701807
Energy: 0.26459532892753257
Energy: 0.04534529174908923
Energy: 0.04091242371017364
Energy: 0.2586006782702253
Energy: 0.04435267822824123
Energy: 0.04310552957831621
Energy: 0.25709614429360866
Energy: 0.04101298292836049
Energy: 0.041311552915816174
Energy: 0.259179647067392
Energy: 0.04510672111016948
Energy: 0.049516149727722614
Energy: 0.04939194605440735
Energy: 0.263072110908761
Energy: 0.26315490040391204
Energy: 0.049762881719023974
Energy: 0.2663171971487601
Energy: 0.26697908359572686
Energy: 0.041080543954242696
Energy: 0.258215530923292
Energy: 0.04128831456419602
Energy: 0.0419825640646315
Energy: 0.2580898818685649
Energy: 0.04090061551370397
Energy: 0.2654183573385744
Energy: 0.2542916643283975
Energy: 0.2571425512803069
Energy: 0.26661943558221923
Energy: 0.25835560109317846
Energy: 0.2582709596645896
Energy: 0.26513410229489137
Energy: 0.044809720431594
Energy: 0.040818859182570326
Energy: 0.2662316920145853
Energy: 0.04362189838836181
Energy: 0.041326330595194936
Energy: 0.2581920713327979
Energy: 0.04100444379787763
Energy: 0.04965898756148554
Energy: 0.25175287229475646
Energy: 0.04091015269347814
Energy: 0.049979014998198144
Energy: 0.1505233461387169
Energy: 0.26400276621489815
Energy: 0.2638105928043777
Energy: 0.04195947172587216
Energy: 0.2632624007704719
Energy: 0.26425942567106403

minimum gb energy = 0.040818859182570326 eV
minimum distance =  2.73117146068721 Angstroms
sigma value = 3


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

Energy: 0.2829898770993727
Energy: 0.27832042978542826
Energy: 0.2948144141080536
Energy: 0.2730288835093841
Energy: 0.28542799095415744
Energy: 0.27293523326311087
Energy: 0.2924632938976115
Energy: 0.303045449515281
Energy: 0.276297445966631
Energy: 0.30001663179870136
Energy: 0.3016488925226076
Energy: 0.27564518564062324
Energy: 0.3013144111207049
Energy: 0.28993072896974187
Energy: 0.2724887189666569
Energy: 0.30147461848111695
Energy: 0.28542261823354326
Energy: 0.25026389480094813
Energy: 0.27528709098395815
Energy: 0.28540539307998836
Energy: 0.2951473479146345
Energy: 0.27528440532662135
Energy: 0.24836108787025046
Energy: 0.25169870031254526
Energy: 0.252231819347513
Energy: 0.3026231220927527
Energy: 0.27422844046164835
Energy: 0.2523414957803148
Energy: 0.30142330485992513
Energy: 0.25234077547995326
Energy: 0.23332159155453244
Energy: 0.25260495054015153
Energy: 0.28357256314837775
Energy: 0.27794970028354593
Energy: 0.2737154615465844
Energy: 0.2671735535507015
Energy: 0.28146743623594683
Energy: 0.2541707631267737
Energy: 0.2534748032135124
Energy: 0.28129746990355975
Energy: 0.25344548564961
Energy: 0.2520375710662313
Energy: 0.274655124232302
Energy: 0.2798788192907395
Energy: 0.2637303938910042
Energy: 0.27451186680391726
Energy: 0.2693321338309543
Energy: 0.26311236945658345
Energy: 0.23506401415371345
Energy: 0.27945015657670125
Energy: 0.2993662397807771
Energy: 0.23494814895085117
Energy: 0.23484164578683547
Energy: 0.26413441075032357
Energy: 0.2370134602176138
Energy: 0.255376726490182
Energy: 0.2527044470271406
Energy: 0.23680337416980823
Energy: 0.25493115739344274
Energy: 0.252622661510863
Energy: 0.24879172542355055
Energy: 0.2813139883889563
Energy: 0.2815841940025362
Energy: 0.27130518196188425
Energy: 0.2257310386963654
Energy: 0.2594182741912593
Energy: 0.23734888857624584
Energy: 0.2823562674608462
Energy: 0.28324993068358745
Energy: 0.23770516805084224
Energy: 0.25275050436706964
Energy: 0.23563564606612308
Energy: 0.23523373658617508
Energy: 0.2637539774375478
Energy: 0.23703075217185465
Energy: 0.23526141136082512
Energy: 0.26720277692868627
Energy: 0.23539804944092033
Energy: 0.22164745086091098
Energy: 0.2703014038550791
Energy: 0.2782444706967733
Energy: 0.2739052130718974
Energy: 0.2260442872765247
Energy: 0.2751380652815671
Energy: 0.2707180476750338
Energy: 0.22889718763074343
Energy: 0.2253761549887815
Energy: 0.27104387715617323
Energy: 0.2273032551095021
Energy: 0.22548086653036498
Energy: 0.24526407490232038
Energy: 0.2701746821659915
Energy: 0.2701525372871442
Energy: 0.26785181804967306
Energy: 0.2699781025484322
Energy: 0.2702887053959232
Energy: 0.22257014900925148
Energy: 0.268688962637468
Energy: 0.2651254754935195
Energy: 0.22300888575583033
Energy: 0.27004973055093767
Energy: 0.22051515324905063
Energy: 0.22050345758543996
Energy: 0.26215789924845545
Energy: 0.26498625973720935
Energy: 0.22062030804224605
Energy: 0.265702542402227
Energy: 0.264271368701458
Energy: 0.271697081435923
Energy: 0.22176391673313875
Energy: 0.2619863151334722
Energy: 0.2616155360732556
Energy: 0.2212234068523655
Energy: 0.2638069240365234
Energy: 0.2672178875877196
Energy: 0.2235615550159741
Energy: 0.22546838884469403
Energy: 0.26774535559868917
Energy: 0.22217342838539555
Energy: 0.22066343138616246
Energy: 0.2672826394464557
Energy: 0.27030287329390107
Energy: 0.269682006082507
Energy: 0.2675697705263078
Energy: 0.24924097812370213
Energy: 0.26913713619645974
Energy: 0.22801249185107045
Energy: 0.271491790327262
Energy: 0.22774781343814457
Energy: 0.22825140350913686
Energy: 0.27166959008148867
Energy: 0.22531443785468463
Energy: 0.22528246864094972
Energy: 0.27237604453705
Energy: 0.27383875985935413
Energy: 0.22532264109136274
Energy: 0.27233687696172715
Energy: 0.27478227419227386
Energy: 0.27052656758702287
Energy: 0.23521938709597096
Energy: 0.23557575001196218
Energy: 0.2691816166097978
Energy: 0.2352178703924541
Energy: 0.23017358322810993
Energy: 0.22649784472230033
Energy: 0.23859405724716917
Energy: 0.2355100702036109
Energy: 0.22660420438557918
Energy: 0.2367827451481871
Energy: 0.2356487315422305
Energy: 0.25002513296057444
Energy: 0.2755268098385666
Energy: 0.27590846871560265
Energy: 0.25019268609088235
Energy: 0.2680041643803674
Energy: 0.28279653426297285
Energy: 0.2560459656354724
Energy: 0.27599984547919704
Energy: 0.2609216057731184
Energy: 0.2565172269164157
Energy: 0.23032276754379188
Energy: 0.2525357869457243
Energy: 0.2414791800721601
Energy: 0.26823574048831383
Energy: 0.2657773378873401
Energy: 0.2415374709017279
Energy: 0.26786148750600836
Energy: 0.3000962520392848
Energy: 0.2298140920574408
Energy: 0.27387901848651286
Energy: 0.2747951232646855
Energy: 0.27395548542702197
Energy: 0.2737546009085123
Energy: 0.2578642632387164
Energy: 0.25318613382505994
Energy: 0.2814513893923369
Energy: 0.27407600272614446
Energy: 0.2532154460428872
Energy: 0.2813688309468368
Energy: 0.25261128519953835
Energy: 0.2541026942100097
Energy: 0.2837997100972624
Energy: 0.2725482542768885
Energy: 0.25460037936082636
Energy: 0.2712087925656528
Energy: 0.2723582907796459
Energy: 0.2998988570462855
Energy: 0.2848369407128262
Energy: 0.30241580260871714
Energy: 0.3003715238192389
Energy: 0.2408163447108431
Energy: 0.25280210238628376
Energy: 0.25799983526237535
Energy: 0.27580373101338
Energy: 0.27697332959028753
Energy: 0.25820317725808484
Energy: 0.2750067397382637
Energy: 0.263010223183714

minimum gb energy = 0.22050345758543996 eV
minimum distance =  2.71995904722623 Angstroms
sigma value = 67


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

Energy: 0.3078380346808734
Energy: 0.39414652139473433
Energy: 0.3616956500723708
Energy: 0.31166322481998526
Energy: 0.43731986182796095
Energy: 0.3632466803017376
Energy: 0.33893862637016325
Energy: 0.3207609186999882
Energy: 0.322319406727158
Energy: 0.32291330109763794
Energy: 0.3617315921206281
Energy: 0.3243829623811493
Energy: 0.3672567782563001
Energy: 0.35584659183116707
Energy: 0.3332629521670061
Energy: 0.36698234051560535
Energy: 0.3573601112240173
Energy: 0.3226572544462486
Energy: 0.3276720852806819
Energy: 0.33398300262746944
Energy: 0.3325829082700019
Energy: 0.32812999347094135
Energy: 0.290539790276349
Energy: 0.3309522923322529
Energy: 0.3266564501670933
Energy: 0.32028495760470155
Energy: 0.33093043083565354
Energy: 0.32705115678336094
Energy: 0.3615782578140028
Energy: 0.33236283518878096
Energy: 0.3149183828974972
Energy: 0.29637155000882254
Energy: 0.3599613271346114
Energy: 0.31285129495904584
Energy: 0.29600177664430655
Energy: 0.36130820088834903
Energy: 0.32232589314728705
Energy: 0.29356371480229076
Energy: 0.3331580328552609
Energy: 0.32222664973992365
Energy: 0.29297294197687873
Energy: 0.30884750877510625
Energy: 0.33027828779843454
Energy: 0.34370618776105505
Energy: 0.3172403540111763
Energy: 0.3306434756918219
Energy: 0.3434759720038082
Energy: 0.319641622373103
Energy: 0.27977953945344775
Energy: 0.35428033856878177
Energy: 0.35322669851980903
Energy: 0.2771385061025277
Energy: 0.2908603736309265
Energy: 0.35282082296396444
Energy: 0.2768715469838364
Energy: 0.2928124023385031
Energy: 0.29511972853702156
Energy: 0.2768696884263856
Energy: 0.29150075439403905
Energy: 0.2967264733753026
Energy: 0.27735982368151796
Energy: 0.348020831100553
Energy: 0.34713441910493964
Energy: 0.3442042315095263
Energy: 0.331952470730326
Energy: 0.34646231579737374
Energy: 0.279280696207154
Energy: 0.3396432992574572
Energy: 0.3364674258230999
Energy: 0.27983601955800447
Energy: 0.3407426747200879
Energy: 0.2831952806371109
Energy: 0.28109908025818053
Energy: 0.3387703216573042
Energy: 0.3334539270881737
Energy: 0.2815883879523282
Energy: 0.34000563001699097
Energy: 0.28343128557842845
Energy: 0.33258630192054506
Energy: 0.34054203941559097
Energy: 0.3397282776582661
Energy: 0.3380261606970242
Energy: 0.30466991381380903
Energy: 0.3397541276503723
Energy: 0.3042192882422089
Energy: 0.27855750466861723
Energy: 0.2811445168491018
Energy: 0.3043373225617889
Energy: 0.2772211458476923
Energy: 0.2825964928710243
Energy: 0.30290391177874987
Energy: 0.3420533612119388
Energy: 0.3408614212183226
Energy: 0.307998383911222
Energy: 0.2770162710381716
Energy: 0.34046920122158
Energy: 0.29398952488071717
Energy: 0.33647423082373074
Energy: 0.3122560070328802
Energy: 0.2945700775759529
Energy: 0.3380980481483182
Energy: 0.29820706181671713
Energy: 0.2944629569185555
Energy: 0.3125484935390658
Energy: 0.34932221634693594
Energy: 0.294734819956292
Energy: 0.31281197999162064
Energy: 0.35104149997589695
Energy: 0.3432738177847317
Energy: 0.3167607282320352
Energy: 0.3348680024006736
Energy: 0.3422472546588833
Energy: 0.30234704598565293
Energy: 0.32487343257886353
Energy: 0.29743564131450706
Energy: 0.3229372352187173
Energy: 0.3315845796063222
Energy: 0.29776867577738153
Energy: 0.32168004649086734
Energy: 0.3342913019426507
Energy: 0.2942809227365449
Energy: 0.3642287931063952
Energy: 0.36287347911316875
Energy: 0.2940968928349347
Energy: 0.3200862110531159
Energy: 0.36126197555415634
Energy: 0.36673284588990884
Energy: 0.34678943163966525
Energy: 0.3637159116198744
Energy: 0.36686757349825916
Energy: 0.3477245451900191
Energy: 0.3532716545330743
Energy: 0.3392329643530444
Energy: 0.3225886605668319
Energy: 0.3247728546224548
Energy: 0.33908806402761277
Energy: 0.3208398875231045
Energy: 0.3275899513047683

minimum gb energy = 0.2768696884263856 eV
minimum distance =  2.71351683485822 Angstroms
sigma value = 33


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

Energy: 0.566976931596624
Energy: 0.42104727689495647
Energy: 0.42227751186741214
Energy: 0.3800605746595922
Energy: 0.48014300514674896
Energy: 0.3791414869852482
Energy: 0.3708987165088008
Energy: 0.34796500773290606
Energy: 0.348672019592563
Energy: 0.39097873997217675
Energy: 0.3468228217711382
Energy: 0.349036670054429
Energy: 0.39761546826118443
Energy: 0.3559140870522523
Energy: 0.35926653632087246
Energy: 0.39806105763750493
Energy: 0.35736811800954765
Energy: 0.3503374263664745
Energy: 0.34638491330796856
Energy: 0.3562478907542485
Energy: 0.3555674296081256
Energy: 0.34685619370099824
Energy: 0.34448893057762103
Energy: 0.3542236086376648
Energy: 0.3459660653182576
Energy: 0.3478377243566271
Energy: 0.34920315224260295
Energy: 0.3461050200355707
Energy: 0.39783900331262984
Energy: 0.35518006301021066
Energy: 0.31246856220911096
Energy: 0.42201414947642546
Energy: 0.3121656877176599
Energy: 0.38451898551312397
Energy: 0.42075005698202694
Energy: 0.3810742684596746
Energy: 0.34852162538099407
Energy: 0.3557276767038903
Energy: 0.3558145145046318
Energy: 0.3459835213342931
Energy: 0.3152856861627034
Energy: 0.3463063442889883
Energy: 0.34992030689011333
Energy: 0.38387934929986095
Energy: 0.3459806654278735
Energy: 0.35033178453377617
Energy: 0.3846596912391732
Energy: 0.34580790674382295
Energy: 0.31200008981729827
Energy: 0.3802878599158167
Energy: 0.3807523072376763
Energy: 0.31221949202594323
Energy: 0.31237486462520586
Energy: 0.38100084445781557
Energy: 0.3116551419087344
Energy: 0.31521708645723695
Energy: 0.3167388041832306
Energy: 0.311883565431871
Energy: 0.31287303377065884
Energy: 0.3180005307802291
Energy: 0.3301268515738936
Energy: 0.34784968795925814
Energy: 0.37483017365233845
Energy: 0.38124247876926
Energy: 0.3123133850840355
Energy: 0.37632297943970267
Energy: 0.3157766635671921
Energy: 0.34704844890082626
Energy: 0.3134441424884884
Energy: 0.316164022180323
Energy: 0.375304667678373
Energy: 0.31222779873767526
Energy: 0.31598966442704224
Energy: 0.3788177335014588
Energy: 0.37689802255436544
Energy: 0.3163432504731944
Energy: 0.34127900186447707
Energy: 0.3129058080481858
Energy: 0.30474262238465394
Energy: 0.33049688664787286
Energy: 0.3964987757535723
Energy: 0.38366845466516314
Energy: 0.33067631924672375
Energy: 0.3538722959092231
Energy: 0.3047634727163417
Energy: 0.3485024640461678
Energy: 0.35005283627246575
Energy: 0.30466019875966127
Energy: 0.3469532447504068
Energy: 0.3568325302031844
Energy: 0.3165269020669989
Energy: 0.3872486751462788
Energy: 0.38704140248799584
Energy: 0.3169021428259072
Energy: 0.31884682615659976
Energy: 0.35596293840852505
Energy: 0.3992613090507061
Energy: 0.3839224846681146
Energy: 0.3847141303059764
Energy: 0.39932050842604916
Energy: 0.32067133226857103
Energy: 0.3971052402263808
Energy: 0.39877119436883585
Energy: 0.34979616145320047
Energy: 0.34643118530822464
Energy: 0.3472755718443292
Energy: 0.3487672048504613
Energy: 0.3485543777250097
Energy: 0.31915189323781035
Energy: 0.41308369982646637
Energy: 0.3820606244496189
Energy: 0.30722206776715505
Energy: 0.41210754348783196
Energy: 0.3421460693015657
Energy: 0.3711649261063273
Energy: 0.34787438175800284
Energy: 0.3487714935071555
Energy: 0.3714571762532137
Energy: 0.39795700577917636
Energy: 0.3489920707476382
Energy: 0.39730891489279585
Energy: 0.35619340253104004
Energy: 0.3548472505689088
Energy: 0.3974863372514284
Energy: 0.3580510271925476
Energy: 0.3496853964905069
Energy: 0.347057941554842
Energy: 0.3564904227172323
Energy: 0.3554171624764599
Energy: 0.3473218381901556
Energy: 0.3566241193730998
Energy: 0.35463299061435904
Energy: 0.3460153841359668
Energy: 0.34824889456859426
Energy: 0.3495970506497165
Energy: 0.34616197902103885
Energy: 0.3467226188821329
Energy: 0.35536911401754595
Energy: 0.3625630095378148
Energy: 0.36302459522895403
Energy: 0.41217068563111436
Energy: 0.39586072323303223
Energy: 0.36220910313089355
Energy: 0.355202891108393
Energy: 0.34583881882295947
Energy: 0.35489563204653934
Energy: 0.3551506087597483
Energy: 0.34589537371905427
Energy: 0.3548335920158794
Energy: 0.35608274438067405
Energy: 0.34796089810075304
Energy: 0.38637082440541415
Energy: 0.3463177274544081
Energy: 0.34849977789820663
Energy: 0.38165875482698636
Energy: 0.3514715278682674
Energy: 0.33872107851678884
Energy: 0.379381467397863
Energy: 0.3829334110064336
Energy: 0.33079419557664197
Energy: 0.3123130037930542
Energy: 0.3829146574623262
Energy: 0.31188630084779995
Energy: 0.3147895090467102
Energy: 0.31681815524223667
Energy: 0.31219521627851354
Energy: 0.3133023296838888
Energy: 0.31199606620257775
Energy: 0.36228565020519093
Energy: 0.3125483939615332
Energy: 0.3736300403075988
Energy: 0.38114158598176273
Energy: 0.31193821309945663
Energy: 0.3748567746577886
Energy: 0.3118250332045299
Energy: 0.3486854437070464
Energy: 0.3476235088717084
Energy: 0.3117716712094453
Energy: 0.3723978925154681
Energy: 0.31253214814163743
Energy: 0.3144152187302935
Energy: 0.3826338247167198
Energy: 0.3124175344056559
Energy: 0.31487076073245757
Energy: 0.3451208779789747
Energy: 0.31232065187678343
Energy: 0.3046486048546798
Energy: 0.34964306312192667
Energy: 0.3961954481973463
Energy: 0.3721199394928075
Energy: 0.3298171325594006
Energy: 0.35374656630182155
Energy: 0.30455259572167376
Energy: 0.34872638422614727
Energy: 0.35056221853284253
Energy: 0.30455540036670464
Energy: 0.3471444231106927
Energy: 0.3560487314941592
Energy: 0.3163881732688273
Energy: 0.3850373421294013
Energy: 0.35655047435829806
Energy: 0.35432142636397157
Energy: 0.31871002119796416
Energy: 0.3556751422590946
Energy: 0.39982498016900025
Energy: 0.3071295341077476
Energy: 0.39316364333267634
Energy: 0.3995028738282921
Energy: 0.38380966621463036
Energy: 0.3425696942906912
Energy: 0.3984997651233484
Energy: 0.34609554192106373
Energy: 0.346406800377809
Energy: 0.3472938543507617
Energy: 0.3495149459764113
Energy: 0.34865967728302094
Energy: 0.3185397438275186
Energy: 0.4110850417618715
Energy: 0.3810862595005609
Energy: 0.3836861167704246
Energy: 0.410267268346186
Energy: 0.3978646416111651

minimum gb energy = 0.30455259572167376 eV
minimum distance =  2.70460531083549 Angstroms
sigma value = 41


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

Energy: 0.5361992518910289
Energy: 0.45383319225492375
Energy: 0.452363757086196
Energy: 0.4088270021822997
Energy: 0.5424132649241528
Energy: 0.3972910838966366
Energy: 0.39173423072706104
Energy: 0.3783943553287529
Energy: 0.37718715616446874
Energy: 0.42237552902676334
Energy: 0.3765688582720588
Energy: 0.42266891122025124
Energy: 0.4378330148382023
Energy: 0.3833344368461953
Energy: 0.3808552411838966
Energy: 0.42787594954950736
Energy: 0.380254104045447
Energy: 0.37900054984304093
Energy: 0.3756496602669788
Energy: 0.3639740000736098
Energy: 0.3882399672612693
Energy: 0.37573237650459135
Energy: 0.373571673819239
Energy: 0.3786323195354156
Energy: 0.37429753606163535
Energy: 0.37737057211962366
Energy: 0.3787208340037198
Energy: 0.37455756863753015
Energy: 0.37658261981936736
Energy: 0.37759803915288404
Energy: 0.39236036251585577
Energy: 0.4455592490639013
Energy: 0.4473467754593342
Energy: 0.37932566972590853
Energy: 0.39672643750783976
Energy: 0.44905163137493675
Energy: 0.3795954882124584
Energy: 0.36600979694231395
Energy: 0.43022645280972166
Energy: 0.37478808160452187
Energy: 0.3895301619939414
Energy: 0.3755242954095629
Energy: 0.37678166387483203
Energy: 0.37610200033081026
Energy: 0.38379045908611065
Energy: 0.3773333262482004
Energy: 0.3780353339350443
Energy: 0.3815816577036779
Energy: 0.4016740147041528
Energy: 0.3776373947018459
Energy: 0.42992336388773356
Energy: 0.40143341274823213
Energy: 0.3768071942475622
Energy: 0.4320751422883354
Energy: 0.38869822902500556
Energy: 0.37707301870107207
Energy: 0.3792789494563197
Energy: 0.3894361558897703
Energy: 0.37488093246885973
Energy: 0.37963393070398344
Energy: 0.38020100790146005
Energy: 0.3750518788702555
Energy: 0.3649797730356381
Energy: 0.3798819214121532
Energy: 0.3555425126871006
Energy: 0.3650669865827488
Energy: 0.42664930251095007
Energy: 0.3989675409892086
Energy: 0.40315487998109095
Energy: 0.42671897639773093
Energy: 0.39967297277826586
Energy: 0.40142839840608235
Energy: 0.4172865748485859
Energy: 0.42223469881322934
Energy: 0.4225927913908206
Energy: 0.37682091182120564
Energy: 0.3751983292419667
Energy: 0.4225038115415479
Energy: 0.35605678300510174
Energy: 0.44863246503009213
Energy: 0.4748338151617923
Energy: 0.3979540604430734
Energy: 0.38007429153230227
Energy: 0.4948373152819467

minimum gb energy = 0.3555425126871006 eV
minimum distance =  2.71978425055104 Angstroms
sigma value = 11


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

Energy: 0.6718279865209196
Energy: 0.5399170094287017
Energy: 0.513826257327975
Energy: 0.522261943104175
Energy: 0.5549274575102892
Energy: 0.518102070075485
Energy: 0.4586592463732792
Energy: 0.4095423868506841
Energy: 0.4088216376858017
Energy: 0.4474010619801147
Energy: 0.4111881017321137
Energy: 0.4229070566944608
Energy: 0.5033958455103318
Energy: 0.43462533798187064
Energy: 0.427142022366712
Energy: 0.5039390425454658
Energy: 0.43487501734862305
Energy: 0.44218267926420307
Energy: 0.44314832089335665
Energy: 0.4030202988868162
Energy: 0.4256150993737504
Energy: 0.4287249045832233
Energy: 0.40361054531291585
Energy: 0.4483557327370934
Energy: 0.4496904406601781
Energy: 0.4121914521478024
Energy: 0.41004806293455653
Energy: 0.44691494629045725
Energy: 0.42381754785432824
Energy: 0.42518139096470864
Energy: 0.4790663384602729
Energy: 0.4172004754163542
Energy: 0.4175030844625741
Energy: 0.4356282050153631
Energy: 0.41705827892167313
Energy: 0.4193794681454574
Energy: 0.41936591908174303
Energy: 0.4355098322505161
Energy: 0.43552981391715007
Energy: 0.419928822814154
Energy: 0.4504327317181873
Energy: 0.4174468758824464
Energy: 0.41052843905045266
Energy: 0.45983200293580373
Energy: 0.42323656796600667
Energy: 0.41077618067228994
Energy: 0.4478742718627222
Energy: 0.40868244095261413
Energy: 0.40610491844790286
Energy: 0.42818069891305843
Energy: 0.4276693860421736
Energy: 0.40672493944356825
Energy: 0.4867029734765546
Energy: 0.43828786866637975
Energy: 0.40852713812141483
Energy: 0.5055196111652955
Energy: 0.46846417018537173
Energy: 0.408637351997821
Energy: 0.5057337648130266
Energy: 0.4514222304315114
Energy: 0.4243633430494112
Energy: 0.4400196793859396
Energy: 0.42319787065965625
Energy: 0.41090037384040057
Energy: 0.42056040135677675
Energy: 0.40874524168430315
Energy: 0.41793538520458373
Energy: 0.4725607006846836
Energy: 0.47277036751510765
Energy: 0.4354958553297011
Energy: 0.45598903787278505
Energy: 0.4917452499771887
Energy: 0.4088471862508471
Energy: 0.4505526664813245
Energy: 0.422625092927727
Energy: 0.4088979052945878
Energy: 0.4505242412706787
Energy: 0.42296078783390767
Energy: 0.4198827969454917
Energy: 0.5039087171200936
Energy: 0.4676748424550989
Energy: 0.4398857764974387
Energy: 0.5022262710723705
Energy: 0.4507879017001408
Energy: 0.40333631374505713
Energy: 0.4610893144774013
Energy: 0.465458075371398
Energy: 0.40351179709829305
Energy: 0.46006717006012476
Energy: 0.4029994031324894
Energy: 0.4024850202673377
Energy: 0.43760341312118756
Energy: 0.4369703186607226
Energy: 0.40312754578653254
Energy: 0.4549947436288001
Energy: 0.402615498843077
Energy: 0.40299187396669195
Energy: 0.44720356291913615
Energy: 0.44677143272378733
Energy: 0.40309746338427166
Energy: 0.45239331367849583
Energy: 0.40314471277350905
Energy: 0.46708852822089036
Energy: 0.45590580395647035
Energy: 0.4571297027471016
Energy: 0.43205494568705305
Energy: 0.4544893621838317
Energy: 0.43067013128147047
Energy: 0.42127074853883095
Energy: 0.42113410368849147
Energy: 0.42205899150147563
Energy: 0.4214418831341121
Energy: 0.42347217871771703
Energy: 0.4543478421241227
Energy: 0.4498391691419732
Energy: 0.4268012150771363
Energy: 0.4276160910317494
Energy: 0.45019396662918687
Energy: 0.4289092341610707
Energy: 0.436239249530495
Energy: 0.45897203348596655
Energy: 0.40279235937602764
Energy: 0.43255162754668003
Energy: 0.458456382659959
Energy: 0.40300673083954164
Energy: 0.42191448337446247
Energy: 0.4105252913304348
Energy: 0.4246227563065513
Energy: 0.42231750392444706
Energy: 0.4104533431922727
Energy: 0.44715186729510015
Energy: 0.42130972752033
Energy: 0.4060982432982886
Energy: 0.45402505361312795
Energy: 0.456840424982434
Energy: 0.44019322331872884
Energy: 0.4527110593894548
Energy: 0.4450424217625558
Energy: 0.4369745385920252
Energy: 0.42210626236611437
Energy: 0.45482343688793925
Energy: 0.42341280417957244
Energy: 0.42106577436322484
Energy: 0.44690952132577266
Energy: 0.4525894247903899
Energy: 0.4306543822974712
Energy: 0.429276858663109
Energy: 0.4533401764899578
Energy: 0.4371891869946344
Energy: 0.45710995584853664
Energy: 0.45229519415100816
Energy: 0.4036484261473779
Energy: 0.4030729041611361
Energy: 0.46464217726863466
Energy: 0.4031503816884225
Energy: 0.40305812257031937
Energy: 0.47355311416094226
Energy: 0.4049412813017838
Energy: 0.405988110695211
Energy: 0.4562482472108595
Energy: 0.4035687487174789
Energy: 0.4024791904396742
Energy: 0.4579453732345836
Energy: 0.4036580735367119
Energy: 0.4027823438458753
Energy: 0.45582695585362604
Energy: 0.4032760212609917
Energy: 0.40445483888799627
Energy: 0.5005261491467081
Energy: 0.4286635959739428
Energy: 0.42802620632831495
Energy: 0.5012953126592626
Energy: 0.43082171566416694
Energy: 0.46057158414812677
Energy: 0.48113422199132255
Energy: 0.4081561975738888
Energy: 0.42318916282363117
Energy: 0.4507697306539483
Energy: 0.4079129302016233
Energy: 0.42289693228462916
Energy: 0.40396757685898493
Energy: 0.4202384522532678
Energy: 0.5129583603286242
Energy: 0.42636793866061146
Energy: 0.4186499293922887
Energy: 0.461623452226362

minimum gb energy = 0.4024791904396742 eV
minimum distance =  2.69338453313762 Angstroms
sigma value = 57


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

Energy: 0.6115056977492166
Energy: 0.48487474101278893
Energy: 0.486806332980388
Energy: 0.5189349512599498
Energy: 0.6403028913515596
Energy: 0.48861986674470415
Energy: 0.3843860050300228
Energy: 0.4219095335167025
Energy: 0.4205302841299115
Energy: 0.3971673126595143
Energy: 0.4217544866781426
Energy: 0.394642950877913
Energy: 0.437189101881304
Energy: 0.46283076572698395
Energy: 0.4625296249760196
Energy: 0.4377274879680321
Energy: 0.4639507706161578
Energy: 0.4418837101527865
Energy: 0.4156999598348766
Energy: 0.39568841925874165
Energy: 0.39085420492187634
Energy: 0.4163396549806616
Energy: 0.41731382055486255
Energy: 0.41664890769367835
Energy: 0.4186295095638101
Energy: 0.43850195227342126
Energy: 0.41520609156267146
Energy: 0.41811890284778364
Energy: 0.43842933161465203
Energy: 0.3959106468319415
Energy: 0.42898337911448187
Energy: 0.4383324691239962
Energy: 0.47013735832890463
Energy: 0.4722358956611912
Energy: 0.44154778076216106
Energy: 0.43734334505744743
Energy: 0.4384797906266381
Energy: 0.4467444330152165
Energy: 0.42028627742096736
Energy: 0.43904017569844833
Energy: 0.4436845960795005
Energy: 0.4410108110216787
Energy: 0.450564854217623
Energy: 0.42043527767620936
Energy: 0.39529457739285156
Energy: 0.41963453603153683
Energy: 0.419254269698556
Energy: 0.3900851139458534
Energy: 0.3848052215458233
Energy: 0.441658005317815
Energy: 0.48352645637511243
Energy: 0.3853019009809926
Energy: 0.43982989688048696
Energy: 0.4829982243360915
Energy: 0.38474919379507516
Energy: 0.4386278192906223
Energy: 0.48401797821572207
Energy: 0.3850963215969375
Energy: 0.4376939344535255
Energy: 0.48323016647094913
Energy: 0.4501047650756914
Energy: 0.42180025107018987
Energy: 0.38982582056778853
Energy: 0.4196952033737764
Energy: 0.39609348236392783
Energy: 0.38991899049053835
Energy: 0.4372896461634854
Energy: 0.46810931371272446
Energy: 0.4395049758995124
Energy: 0.4379616518481336
Energy: 0.46837936651759227
Energy: 0.4415773663962054
Energy: 0.4190678620441985
Energy: 0.420645287613772
Energy: 0.39464631899072544
Energy: 0.41953379741370167
Energy: 0.4212553757378886
Energy: 0.3954141397703836
Energy: 0.41603806203529964
Energy: 0.4382803800567758
Energy: 0.4395192503043082
Energy: 0.4724113726703168
Energy: 0.4362409269072321
Energy: 0.4414297716006199
Energy: 0.4186842764982434
Energy: 0.4341199514264724
Energy: 0.4159475703495932
Energy: 0.41855326897674017
Energy: 0.4322053897837266
Energy: 0.4209448932336319
Energy: 0.43734303234085764
Energy: 0.433660856755895
Energy: 0.43509749032777817
Energy: 0.43788422053062004
Energy: 0.4323819570094023
Energy: 0.4413506257172021
Energy: 0.38436415416549974
Energy: 0.4142104068886046
Energy: 0.42102270420673343
Energy: 0.38482589993842253
Energy: 0.41333666991460066
Energy: 0.39551232263176506

minimum gb energy = 0.38436415416549974 eV
minimum distance =  2.70576890823256 Angstroms
sigma value = 9


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

Energy: 0.7501651586525397
Energy: 0.4959694507874168
Energy: 0.4689062688616228
Energy: 0.464783152277187
Energy: 0.5042892844805443
Energy: 0.456090284350501
Energy: 0.48554457468957857
Energy: 0.4290412524344076
Energy: 0.4261594088179309
Energy: 0.4597168086495177
Energy: 0.42838576275905976
Energy: 0.42681121632346636
Energy: 0.46132358710971894
Energy: 0.48953503735419435
Energy: 0.4454852693751977
Energy: 0.46211209634962147
Energy: 0.4795951917474384
Energy: 0.4635996711262589
Energy: 0.42862785752086346
Energy: 0.4192911868432177
Energy: 0.42930367622821486
Energy: 0.4296694215608565
Energy: 0.4240244353391322
Energy: 0.42438655430250366
Energy: 0.4642747868620393
Energy: 0.4261333890019309
Energy: 0.42049012754710874
Energy: 0.4644915348222093
Energy: 0.42404565005126854
Energy: 0.41465317534806523
Energy: 0.44313441209084065
Energy: 0.42786876803939583
Energy: 0.4253502764952515
Energy: 0.443385206416775
Energy: 0.4322195273512043
Energy: 0.4249967967795471
Energy: 0.41434702728276185
Energy: 0.5107787809840348
Energy: 0.45107256749870184
Energy: 0.4146167935178363
Energy: 0.4919893338291757
Energy: 0.41821965640898184
Energy: 0.4288110887044581
Energy: 0.42811573916729456
Energy: 0.42756305138577916
Energy: 0.4279225003382911
Energy: 0.4270907329248081
Energy: 0.42444544966611714
Energy: 0.5300881847549641
Energy: 0.4271723260175689
Energy: 0.4261245912014304
Energy: 0.4617423479618676
Energy: 0.4263055225319146
Energy: 0.44482980502607533
Energy: 0.45202729241623096
Energy: 0.4174178512906415
Energy: 0.41883863257730314
Energy: 0.4444241439332321
Energy: 0.4163203040209099
Energy: 0.42009613437818427
Energy: 0.4291916505878825
Energy: 0.4304915010927273
Energy: 0.4497569324236207
Energy: 0.4287224097858523
Energy: 0.4470512608314824
Energy: 0.4153408181096527
Energy: 0.42857363900228124
Energy: 0.4489437565602251
Energy: 0.4460323864064629
Energy: 0.42917503534209334
Energy: 0.4589369195928789
Energy: 0.42689598830393055
Energy: 0.5506494698880307
Energy: 0.43821221571626395
Energy: 0.44070254730440916
Energy: 0.4932431089727508
Energy: 0.4362445693823484
Energy: 0.43689386852251233
Energy: 0.431701685662296
Energy: 0.4295716240645708
Energy: 0.4141635250728893
Energy: 0.4361475169741668
Energy: 0.4288130908359736
Energy: 0.42709990660951735
Energy: 0.4241155124878094
Energy: 0.4411841398826021
Energy: 0.42465841682392286
Energy: 0.4244921025544479
Energy: 0.44425831986267905
Energy: 0.42309715911013157
Energy: 0.4341364912215227
Energy: 0.47528770357561245
Energy: 0.4283376442827877
Energy: 0.43430960089273324
Energy: 0.4786035463392689
Energy: 0.42348203718874455
Energy: 0.43393787198185996
Energy: 0.43402119006153445
Energy: 0.42910187408036327
Energy: 0.43432379316407743
Energy: 0.4343684714284073
Energy: 0.42397298506271286
Energy: 0.5109592735644994
Energy: 0.44083021918144244
Energy: 0.44342049033718395
Energy: 0.49147704346729676
Energy: 0.4391024826838451
Energy: 0.427576352043732
Energy: 0.42960265861177943
Energy: 0.450453765145042
Energy: 0.42995132186362145
Energy: 0.4300753022022317
Energy: 0.4679483158170449
Energy: 0.4332437963280714
Energy: 0.4428228536237059
Energy: 0.44889547744522723
Energy: 0.4283830532615863
Energy: 0.44346249319989706
Energy: 0.45546597928098853
Energy: 0.43367760778869463
Energy: 0.4251161237348811
Energy: 0.4218359151964153
Energy: 0.42569076369717984
Energy: 0.4255152875690974
Energy: 0.42060605428990866
Energy: 0.427013934617074

minimum gb energy = 0.4141635250728893 eV
minimum distance =  2.69967080035357 Angstroms
sigma value = 27


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

Energy: 0.6137046134660908
Energy: 0.4375174502623525
Energy: 0.41752754467862085
Energy: 0.4560596962304686
Energy: 0.5002681645325814
Energy: 0.42205960824441746
Energy: 0.4085575783836062
Energy: 0.44508153547145246
Energy: 0.4179413854014978
Energy: 0.48076661917555524
Energy: 0.44390745569669415
Energy: 0.4719972729696706
Energy: 0.466602148177932
Energy: 0.4700905851768325
Energy: 0.49681813297495386
Energy: 0.46600700789132726
Energy: 0.44437933918417355
Energy: 0.4518768046053155
Energy: 0.45540005170980524
Energy: 0.4535040747572992
Energy: 0.4647282187202171
Energy: 0.45472602089050057
Energy: 0.44240139555943686
Energy: 0.4636219120555797
Energy: 0.4492160524358558
Energy: 0.4413246463727379
Energy: 0.4412287774071651
Energy: 0.4479893978559173
Energy: 0.4412895840096832
Energy: 0.4380603941421803
Energy: 0.4568073736772367
Energy: 0.448666468866943
Energy: 0.42811015584057793
Energy: 0.4557220901669094
Energy: 0.43968625585010923
Energy: 0.43820041036448876
Energy: 0.4314538901519505
Energy: 0.44578723956989863
Energy: 0.41690791387286896
Energy: 0.44583393310277225
Energy: 0.44323357364047666
Energy: 0.4172214215408113
Energy: 0.4267238795964179
Energy: 0.4377245707164021
Energy: 0.4573735248188927
Energy: 0.4263585968624498
Energy: 0.40382897240972665
Energy: 0.4273105066540436
Energy: 0.44700277151968026
Energy: 0.457784038276349
Energy: 0.45607328975535194
Energy: 0.4152362254973825
Energy: 0.45720184272976744
Energy: 0.44273074265235896
Energy: 0.4232096931620017
Energy: 0.42483634961207467
Energy: 0.4021812094856012
Energy: 0.3806812085099526
Energy: 0.4353564708723271
Energy: 0.4032756664786588
Energy: 0.43197187358436745
Energy: 0.4642083479242406
Energy: 0.4410099549005509
Energy: 0.432075716916739
Energy: 0.4450236104395744
Energy: 0.43135945870107134
Energy: 0.374818141345691
Energy: 0.4039598232380757
Energy: 0.37888812060119276
Energy: 0.3751611019932004
Energy: 0.4391463069947924
Energy: 0.3780599881527711
Energy: 0.42941718632544845
Energy: 0.37745896105771604
Energy: 0.37811904477902875
Energy: 0.4267776879645546
Energy: 0.3761439220034383
Energy: 0.37844515859055244
Energy: 0.42813411598920403
Energy: 0.3750764793109055
Energy: 0.3756197079615844
Energy: 0.42509621642738715
Energy: 0.3741920407018207
Energy: 0.37706361716647596
Energy: 0.40219249097890186
Energy: 0.37969329198708107
Energy: 0.4044064575312852
Energy: 0.4011618901754745
Energy: 0.41518403292289485
Energy: 0.4034635765853459
Energy: 0.4711147463820875
Energy: 0.38011946779699335
Energy: 0.43666946492625447
Energy: 0.4707430147592089
Energy: 0.4256749551508995
Energy: 0.43544780771456826
Energy: 0.423289965970372
Energy: 0.43358962431667725
Energy: 0.4291393815168558
Energy: 0.42369444589703403
Energy: 0.4308988752576985
Energy: 0.43343912677827
Energy: 0.46550249437580465
Energy: 0.43005654404123916
Energy: 0.4479956013817125
Energy: 0.46536127197346
Energy: 0.4289385629174766
Energy: 0.4420056829883636
Energy: 0.42487973053029776
Energy: 0.44543895647817544
Energy: 0.4154173854585822
Energy: 0.4253050000761603
Energy: 0.4510540695254483
Energy: 0.42036211165347115
Energy: 0.4117016913641762
Energy: 0.4557112927035605
Energy: 0.4163915058419052
Energy: 0.4532742866824199
Energy: 0.4515037793485425
Energy: 0.40283004112388254
Energy: 0.43608323449429476
Energy: 0.4687245947369734
Energy: 0.46383746087901523
Energy: 0.43621395902187576
Energy: 0.4667703509326791
Energy: 0.46655627741757294
Energy: 0.4450411305360874
Energy: 0.5073610253109604
Energy: 0.4671647764032734
Energy: 0.4444615180666426
Energy: 0.5070746819266254
Energy: 0.4651235367748902
Energy: 0.4381846350905012
Energy: 0.4712037935663053
Energy: 0.4516129936253364
Energy: 0.4384291054097263
Energy: 0.438815773396621
Energy: 0.44134107394583993
Energy: 0.43795720195478155
Energy: 0.4621017950560251
Energy: 0.4900500857553293
Energy: 0.4379862730798772
Energy: 0.4640578954143233
Energy: 0.42548116476044245
Energy: 0.42842705607766746
Energy: 0.45045301849092334
Energy: 0.4484474941815499
Energy: 0.4308919927141824
Energy: 0.4498628299251174
Energy: 0.4244234911930282

minimum gb energy = 0.3741920407018207 eV
minimum distance =  2.68631907317546 Angstroms
sigma value = 19


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

Energy: 0.49641682761171274
Energy: 0.4385861775337834
Energy: 0.4529654388402543
Energy: 0.43955922711959483
Energy: 0.4384595065385548
Energy: 0.39974969631306506
Energy: 0.4043504172171123
Energy: 0.43343573045589606
Energy: 0.45865627633372735
Energy: 0.4109925171723237
Energy: 0.4331921939095983
Energy: 0.45401412139387587
Energy: 0.4127232368782384
Energy: 0.42210026360197045
Energy: 0.4103321465663874
Energy: 0.4116827536434571
Energy: 0.4341558056256811
Energy: 0.41286401079347274
Energy: 0.412626188655392
Energy: 0.4068192037351492
Energy: 0.40761823300031225
Energy: 0.4072745927998201
Energy: 0.4120849478204995
Energy: 0.4045085571864979
Energy: 0.4347112176916078
Energy: 0.40971289474860306
Energy: 0.41095202893839433
Energy: 0.43358287781078453
Energy: 0.4092341714822658
Energy: 0.4122244615144311
Energy: 0.4328627669252679
Energy: 0.40854123142811144
Energy: 0.4056629435224655
Energy: 0.4324623354323016
Energy: 0.4091566283686228
Energy: 0.43500589669973466
Energy: 0.433872594708573
Energy: 0.4116298014654146
Energy: 0.40867894521973197
Energy: 0.43309489376333493
Energy: 0.4428330236179851
Energy: 0.4046781715497474
Energy: 0.42992411987290796
Energy: 0.4242462601275888
Energy: 0.445819913845607
Energy: 0.4291259425353361
Energy: 0.42296483543358904
Energy: 0.45037939317604675
Energy: 0.4324283401162817
Energy: 0.40970542439738544
Energy: 0.40618195998642787
Energy: 0.43194754692040516
Energy: 0.40930544092853927
Energy: 0.40670808190540186
Energy: 0.42979540485346723
Energy: 0.4058961959432396
Energy: 0.40464851772174915
Energy: 0.4290111357218131
Energy: 0.4093000803818733
Energy: 0.41639701735284423
Energy: 0.4388689616492578
Energy: 0.40467403619118414
Energy: 0.4009997490514403
Energy: 0.4090482599146141
Energy: 0.4051729889827476
Energy: 0.40364113850593125
Energy: 0.40442384507209456
Energy: 0.4269456179144909
Energy: 0.42908986709153574
Energy: 0.4046857714817852
Energy: 0.4394583960662578
Energy: 0.393417050417937
Energy: 0.5318589276102642
Energy: 0.44035722737355626
Energy: 0.42139344938184903
Energy: 0.4356278097776758
Energy: 0.4401627733208398
Energy: 0.42758436367654656
Energy: 0.42087824365471765
Energy: 0.4310438477090914
Energy: 0.4305253147000882
Energy: 0.41285192656703834
Energy: 0.4306741692172965
Energy: 0.4389507586237079
Energy: 0.4043156565251321
Energy: 0.4276297187477255
Energy: 0.3964162694013774
Energy: 0.40475458577679235
Energy: 0.4234239140339078
Energy: 0.3949660170182279
Energy: 0.40432841001831743
Energy: 0.4310134650661798
Energy: 0.4222948065679814
Energy: 0.4045271385935905
Energy: 0.4244804716895441
Energy: 0.3944805355329287
Energy: 0.5653644869637673
Energy: 0.4239801528244858
Energy: 0.414557476536521
Energy: 0.4306650388389872
Energy: 0.4229899364249095
Energy: 0.4175463597340212
Energy: 0.42441865167835624
Energy: 0.405866660977172
Energy: 0.4183677073440329
Energy: 0.4219026992065473
Energy: 0.40655490238521436
Energy: 0.41839100410626484
Energy: 0.42527436352517806
Energy: 0.42706803015270606
Energy: 0.39730610259856447
Energy: 0.42511348985406266
Energy: 0.44976491616969994
Energy: 0.43770596284860025
Energy: 0.42101075151497236
Energy: 0.40977161943950224
Energy: 0.39698694611386215
Energy: 0.4201408463328075
Energy: 0.45015584746186765
Energy: 0.41705054979083817
Energy: 0.4265078761004673
Energy: 0.4057941361070052
Energy: 0.39458985898615917
Energy: 0.42683907270111315
Energy: 0.4050600722439123
Energy: 0.3917361369394927
Energy: 0.42346594369966883
Energy: 0.40551121081006153
Energy: 0.39390969507345897
Energy: 0.4236694826300068
Energy: 0.40475437449480384
Energy: 0.3965344828060115
Energy: 0.44023199334736823
Energy: 0.4174913629524515
Energy: 0.41653173766638274
Energy: 0.44064263923493285
Energy: 0.4393471988978384
Energy: 0.43462617235254136
Energy: 0.4493734199503954
Energy: 0.4264397749531665
Energy: 0.44116895192595434
Energy: 0.4498741454837777
Energy: 0.4692418194727657
Energy: 0.4379770159018936
Energy: 0.4387244300877062
Energy: 0.405211324281458
Energy: 0.3993313992420372
Energy: 0.43437720136145413
Energy: 0.40562237383344957
Energy: 0.39427770985177524
Energy: 0.5026359374580964
Energy: 0.4100327316447138
Energy: 0.4077278044606186
Energy: 0.43377596460284906
Energy: 0.4094153161283415
Energy: 0.40950681414274287
Energy: 0.41404263785716083
Energy: 0.432790318707668
Energy: 0.4179955388767181
Energy: 0.41273353673453683
Energy: 0.4308906231305096
Energy: 0.40545629575894104
Energy: 0.4116703848363539
Energy: 0.432166750765114
Energy: 0.4082095446853014
Energy: 0.40880350719854464
Energy: 0.42908645362255804
Energy: 0.40629698875826886
Energy: 0.4550248428068505
Energy: 0.44607032454750645
Energy: 0.4462658918761234
Energy: 0.4313135289593696
Energy: 0.45575636856031193
Energy: 0.43750477692586204

minimum gb energy = 0.3917361369394927 eV
minimum distance =  2.69084428831029 Angstroms
sigma value = 101


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

Energy: 0.6492969152396618
Energy: 0.41641514682273734
Energy: 0.4174048364805367
Energy: 0.5162270763451088
Energy: 0.661012614965778
Energy: 0.5195999532793435
Energy: 0.4060595345177228
Energy: 0.4183110926130203
Energy: 0.4105472452853837
Energy: 0.41631615044171394
Energy: 0.4179201400178999
Energy: 0.4194217614187257
Energy: 0.4181283716937702
Energy: 0.4166612998466823
Energy: 0.4129079433063415
Energy: 0.4163716287557456
Energy: 0.4118584285889737
Energy: 0.4147029670092626
Energy: 0.418869419513179
Energy: 0.4078779303228783
Energy: 0.4093843497408636
Energy: 0.4072431207974689
Energy: 0.41569976885928195
Energy: 0.40874593899638345
Energy: 0.4149317645051218
Energy: 0.41298082485141857
Energy: 0.41388008161714585
Energy: 0.4151021037947849
Energy: 0.4156663868927115
Energy: 0.4170026361318577
Energy: 0.4175548775286556
Energy: 0.40875250613531444
Energy: 0.40952145952055063
Energy: 0.41749742115170246
Energy: 0.4127000031917347
Energy: 0.41929314241147503
Energy: 0.4245213509625251
Energy: 0.4111610405587841
Energy: 0.4100573001290574
Energy: 0.42181007386169356
Energy: 0.4126364914141076
Energy: 0.4133799684631881
Energy: 0.4088098947252185
Energy: 0.4118711415503124
Energy: 0.41821780042337114
Energy: 0.4089967571578905
Energy: 0.4064843287692609
Energy: 0.4109244721660266
Energy: 0.40951958128487276
Energy: 0.41676806009420886
Energy: 0.40522484384850926
Energy: 0.4101267096741407
Energy: 0.41837676075271923
Energy: 0.40506892694877505
Energy: 0.4084352923318605
Energy: 0.40778004911678106
Energy: 0.4180008946709972
Energy: 0.4090255753592621
Energy: 0.4132083546716244
Energy: 0.4170170802145156
Energy: 0.415476738525869
Energy: 0.4013278030941941
Energy: 0.40440351062863167
Energy: 0.41253418559264443
Energy: 0.4031926766608351
Energy: 0.4051130599926417
Energy: 0.4174960084044389
Energy: 0.405825622455367
Energy: 0.41851622354108087
Energy: 0.41792075556120767
Energy: 0.4322734812836613
Energy: 0.4122361758210585
Energy: 0.5318413025517945
Energy: 0.4154601960261579
Energy: 0.4171919584488861
Energy: 0.4139582198473857
Energy: 0.41834415666947056
Energy: 0.410086489146295
Energy: 0.4100838717395952
Energy: 0.4014252288203481
Energy: 0.40272109872570394
Energy: 0.4089367952809809
Energy: 0.4002682961148433
Energy: 0.39959220333874584
Energy: 0.41777233322237683
Energy: 0.4156046673263441
Energy: 0.41760584870171424
Energy: 0.415999763015117
Energy: 0.40940980299911206
Energy: 0.40510011155290904
Energy: 0.41804408817608985
Energy: 0.40947368013636476
Energy: 0.41788471796553334
Energy: 0.4159714293086182
Energy: 0.40908796755958415
Energy: 0.41855868613973146
Energy: 0.6445483469874349
Energy: 0.4183738364795443
Energy: 0.4205400112781255
Energy: 0.40691151295813144
Energy: 0.4279529839235183
Energy: 0.4041316713824427
Energy: 0.4063004606988702
Energy: 0.41733929484000615
Energy: 0.4172700026430482
Energy: 0.40166334155570216
Energy: 0.4169567860935229
Energy: 0.40833562155500297
Energy: 0.420857008750143
Energy: 0.4239489127292636
Energy: 0.40935165015033986
Energy: 0.4191969372313151
Energy: 0.4200289290080171
Energy: 0.4115857573121125
Energy: 0.42142547914408446
Energy: 0.4253384056920297
Energy: 0.40931094012417735
Energy: 0.41818699139212606
Energy: 0.40909186980425305
Energy: 0.4107939492985721
Energy: 0.4160975928899913
Energy: 0.41298178269778374
Energy: 0.4144133391517229
Energy: 0.41619022486441937
Energy: 0.41565890377235176
Energy: 0.41755277598975016
Energy: 0.41755778814539585
Energy: 0.4140136614937438
Energy: 0.4087344012204948
Energy: 0.4175265945473618
Energy: 0.4163731366142876
Energy: 0.40984793567465555
Energy: 0.41691267758760314
Energy: 0.4182635030203572
Energy: 0.41162028335488404
Energy: 0.41700914166690667
Energy: 0.4144433762866744
Energy: 0.4095229311955335
Energy: 0.4095627392257172
Energy: 0.4030911778905316
Energy: 0.41494358266048703
Energy: 0.411400598043374
Energy: 0.41286280119272356
Energy: 0.4088853503833925
Energy: 0.4143056958646332
Energy: 0.4145057191556415
Energy: 0.40462918960008054
Energy: 0.411609651100335
Energy: 0.4164982903167013
Energy: 0.4049280496499263
Energy: 0.4095928430592976
Energy: 0.4132671553257771
Energy: 0.40575921362622336
Energy: 0.40985458887670584
Energy: 0.4160793249524557
Energy: 0.41721189525652574
Energy: 0.4073703901799449
Energy: 0.3966410397738569
Energy: 0.3997608094215712
Energy: 0.40439018434871377
Energy: 0.38616558353670305
Energy: 0.4178161151692913
Energy: 0.4282252833640875
Energy: 0.41778196782882804
Energy: 0.3959866671127914
Energy: 0.4286548921054761
Energy: 0.4003632248608238
Energy: 0.4146870530347668
Energy: 0.4121014675676083
Energy: 0.4211946209843014
Energy: 0.41353985586054576
Energy: 0.40797001979529407
Energy: 0.4292420804885865
Energy: 0.4092070806330596
Energy: 0.5337086097637238
Energy: 0.4074165519300985
Energy: 0.4024492776344002
Energy: 0.4172833251062786
Energy: 0.40667520570624005
Energy: 0.41295382432121447
Energy: 0.4207495674501058
Energy: 0.4150257608344315
Energy: 0.4195555617349401
Energy: 0.4191039909894281
Energy: 0.4094428602690289
Energy: 0.4059045449953682
Energy: 0.41835555656546647
Energy: 0.41228249940921546
Energy: 0.4222762527935981
Energy: 0.4160413281416105
Energy: 0.41023941493361593
Energy: 0.40475054281836037
Energy: 0.6469351658999873
Energy: 0.40893346439257583
Energy: 0.40916226548817863
Energy: 0.4157423216157729
Energy: 0.4089567841396447
Energy: 0.40982706191350654

minimum gb energy = 0.38616558353670305 eV
minimum distance =  2.67790409281962 Angstroms
sigma value = 33


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

Energy: 0.012785239989418308
Energy: 0.019346917921658078
Energy: 0.01719572594464323
Energy: 0.013790409866993793
Energy: 0.3723279859702506
Energy: 0.01662341873972277
Energy: 0.013444710857376167
Energy: 0.039359154206285316
Energy: 0.038855943043410376
Energy: 0.040998757961614174
Energy: 0.040473946081219785
Energy: 0.03881516134904376
Energy: 0.5337079559689926
Energy: 0.37219177646745144
Energy: 0.37202116076998337
Energy: 0.37315695964756573
Energy: 0.3732140646404428
Energy: 0.3713716020571999
Energy: 0.20020748291941545
Energy: 0.039359154206603165
Energy: 0.03885594304406477
Energy: 0.040998757960959774
Energy: 0.040473946081219785
Energy: 0.03881516134904376

minimum gb energy = 0.012785239989418308 eV
minimum distance =  2.89607896712246 Angstroms
sigma value = 1