Model name: model_name=Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Rh
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.79999965429306
cohesive_energy=5.750452262625298
mass=102.905
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=[2.94866189897994e-19, 3.8860634040006594e-19, 4.590187991110979e-19, 5.170320128516039e-19, 5.669302019409e-19, 6.10866691775082e-19, 6.500831692454999e-19, 6.853647009028139e-19, 7.17243209389512e-19, 7.46098410567852e-19, 7.72207480995516e-19, 7.95786714518094e-19, 8.170027375055219e-19, 8.359901327950559e-19, 8.528626549277099e-19, 8.677116279716218e-19, 8.806155585818579e-19, 8.91641738177046e-19, 9.00849447292644e-19, 9.08291557757574e-19, 9.14014532694222e-19, 9.18056824341804e-19, 9.204584871161699e-19, 9.2125156455e-19, 9.20379980461104e-19, 9.17521697346048e-19, 9.1224733186692e-19, 9.040393809709379e-19, 8.922585761811359e-19, 8.76116646593586e-19, 8.54644275344718e-19, 8.266270125459599e-19, 7.905459947482799e-19, 7.44488223050682e-19, 6.86018388969486e-19, 6.11928934883424e-19, 5.1736686776811e-19, 3.9581613525306595e-19, 2.38955031901296e-19, 3.58498237093938e-20, -2.30923320435054e-19, -5.93095348550754e-19, -1.095074911925928e-18, -1.7976421833479998e-18, -2.7843907286959194e-18, -4.17093040952586e-18, -6.117030279780299e-18, -8.842589082475739e-18, -1.2652260704567279e-17, -1.79573559315354e-17, -2.56168817656992e-17, -3.71028860548452e-17, -5.5182167628228e-17, -8.63616464495118e-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: 0.020072342000553977
Energy: 0.5440746375763605
Energy: 0.020260363751098562
Energy: 0.020529501367820228
Energy: 0.5439988888532823
Energy: 0.020759392256809398
Energy: 0.5440746375768966
Energy: 0.24522686462338947
Energy: 0.2452901356182298
Energy: 0.24507364095446815
Energy: 0.24523816301961626
Energy: 0.24521351928012936
Energy: 0.02026036375081474
Energy: 0.24529013561851362
Energy: 0.24517824409829933
Energy: 0.02056407746284269
Energy: 0.2455383636282306
Energy: 0.24522427553110068
Energy: 0.020529501367252595
Energy: 0.24507364095418432
Energy: 0.02056407746284269
Energy: 0.020599805483908145
Energy: 0.24566142250845782
Energy: 0.020911171869504287
Energy: 0.543998888852431
Energy: 0.24523816301990012
Energy: 0.2455383636282306
Energy: 0.245661422508174
Energy: 0.2451429588506821
Energy: 0.2457688906457832
Energy: 0.020759392257660846
Energy: 0.24521351928012936
Energy: 0.24522427553195214
Energy: 0.020911171869504287
Energy: 0.24576889064606694
Energy: 0.020752819813133334

minimum gb energy = 0.020072342000553977 eV
minimum distance =  2.68390733258671 Angstroms
sigma value = 1


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

Energy: 1.8393817143075264
Energy: 1.5387528069635454
Energy: 1.6018859231184144
Energy: 1.8420838679680032
Energy: 1.5391749760300313
Energy: 1.6014114188464488
Energy: 1.7140323564040003
Energy: 1.444832437131552
Energy: 1.450932963732511
Energy: 1.4743997933025472
Energy: 1.4445987495014099
Energy: 1.4464819630402292
Energy: 1.7051935035778456
Energy: 1.448220936042479
Energy: 1.4441297487566296
Energy: 1.7061419519233174
Energy: 1.448455255223508
Energy: 1.4431813313058577
Energy: 1.9016987389491824
Energy: 1.6685791298852648
Energy: 1.4505933138527918
Energy: 1.4386160982756675
Energy: 1.6686743599130665
Energy: 1.6586256027731867
Energy: 1.712558740540259
Energy: 1.4490274887922059
Energy: 1.4479496337714644
Energy: 1.4761119188652565
Energy: 1.4489674784020838
Energy: 1.4474074260353573
Energy: 1.7439523288539773
Energy: 1.4482306888020728
Energy: 1.4462833256971557
Energy: 1.7360091546945202
Energy: 1.448146124898949
Energy: 1.4460515636773503
Energy: 1.7485939814403342
Energy: 1.6543551593674994
Energy: 1.4521275080074085
Energy: 1.735159889276308
Energy: 1.4458568060792025
Energy: 1.5985936976981372
Energy: 1.4484109872531024
Energy: 1.6331278902561748
Energy: 1.6464632144845537
Energy: 1.4496357635503745
Energy: 1.6206303115035114
Energy: 1.449987200001686
Energy: 1.4466595706618486
Energy: 1.4459312246280558
Energy: 1.446728589868018
Energy: 1.4459944036714432
Energy: 1.6444629315349366
Energy: 1.4457013664490597
Energy: 1.4465371658166184
Energy: 1.4767316277043674
Energy: 1.4479853747239837
Energy: 1.4466069304098936
Energy: 1.4800700480609401
Energy: 1.4477969663294472
Energy: 1.4653299726359055
Energy: 1.466277603150495
Energy: 1.549633908324236
Energy: 1.7834585685825328
Energy: 1.8448926698221755
Energy: 1.4674343831594245
Energy: 1.4449625971569482
Energy: 1.4422433241182668
Energy: 1.4453543856576243
Energy: 1.4451969749445035
Energy: 1.4648208996018226
Energy: 1.4441517585596613
Energy: 1.4453169686712581
Energy: 1.4468273218105803
Energy: 1.445902290896748
Energy: 1.4504516860656211
Energy: 1.4738178094175551
Energy: 1.4445064774778498
Energy: 1.5004085172588826
Energy: 1.4877173128830874
Energy: 1.5756034361288238
Energy: 1.5126596932260252
Energy: 2.0025280179132983
Energy: 1.6189684708311405
Energy: 1.4452851168764556
Energy: 1.47590845283825
Energy: 1.4433372015914374
Energy: 1.444893922763169
Energy: 1.572596324545287
Energy: 1.4442533112114633
Energy: 1.4449554746243587
Energy: 1.4421791901620846
Energy: 1.444026994557502
Energy: 1.444259293792973
Energy: 1.477107252289283
Energy: 1.4449452092422719
Energy: 1.4457629656861053
Energy: 1.4701176463308818
Energy: 1.6545063034634608
Energy: 1.4422446596740024
Energy: 1.7343155890060362
Energy: 1.6537144788971634
Energy: 1.5452361621949995
Energy: 1.5581499595736457
Energy: 1.5576128329481262
Energy: 1.5456794712825848
Energy: 1.5703901007090677
Energy: 1.5782062528488805
Energy: 1.5421722119555605
Energy: 1.5619599366363717
Energy: 1.5599036438273317
Energy: 1.5427401101893197
Energy: 1.541840622722514
Energy: 1.5470966172426186
Energy: 1.5400446050652479
Energy: 1.5704181654457774
Energy: 1.5750321814761359
Energy: 1.544313070014955
Energy: 1.5451467110923407
Energy: 1.5712573498981832
Energy: 1.840125722997049
Energy: 1.4432686333679159
Energy: 1.5019803397159206
Energy: 1.8431323202626884
Energy: 1.4452495381105364
Energy: 1.500736332953345
Energy: 1.6443634520547425
Energy: 1.442027058892207
Energy: 1.442471498352317
Energy: 1.6446055048698716
Energy: 1.4422008709231264
Energy: 1.4431520391244594
Energy: 1.7340202882375035
Energy: 1.4452934223541887
Energy: 1.4525138263817516
Energy: 1.7368311521194393
Energy: 1.443768005915916
Energy: 1.4440676356330215

minimum gb energy = 1.4386160982756675 eV
minimum distance =  2.4663191854908 Angstroms
sigma value = 33


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

Energy: 2.3140205560501546
Energy: 1.5089262434974489
Energy: 1.594322804160206
Energy: 1.5148327942451305
Energy: 1.5080573366660968
Energy: 1.6097411197805853
Energy: 1.7143694878425517
Energy: 1.510388359397454
Energy: 1.5166432055357741
Energy: 1.709156752627924
Energy: 1.5108669698988573
Energy: 1.5160366339359008
Energy: 1.624187476791291
Energy: 1.5199308470106967
Energy: 1.5200436131046517
Energy: 1.624858427681999
Energy: 1.519779745240333
Energy: 1.5114861521705736
Energy: 1.9105663388721705
Energy: 1.5394637763243304
Energy: 1.837122988135966
Energy: 1.9095585225533245
Energy: 1.539022895920614
Energy: 1.5833492833043032
Energy: 1.711010379405736
Energy: 1.5232559070279834
Energy: 1.5268683731819348
Energy: 1.6887297687595944
Energy: 1.5236093264956279
Energy: 1.525774975162634
Energy: 1.7777605370663148
Energy: 1.5227088499911419
Energy: 1.5263337389710363
Energy: 1.4814152523825113
Energy: 1.5236317390375895
Energy: 1.523786037970017
Energy: 1.7815897308221038
Energy: 1.5231866116543795
Energy: 1.5232688075709613
Energy: 1.483491365792349
Energy: 1.5265954063577776
Energy: 1.6030847313293137
Energy: 1.5115279280334282
Energy: 1.5839955671947665
Energy: 1.6077169299082625
Energy: 1.5120591795968719
Energy: 1.6256426489803024
Energy: 1.6242563690327543
Energy: 1.505185027821422
Energy: 1.587964815392209
Energy: 1.5493496530409565
Energy: 1.5016503284618228
Energy: 1.6212481836007195
Energy: 1.504343357323541
Energy: 1.497850471542756
Energy: 1.5008457196719462
Energy: 1.504729526035941
Energy: 1.49770807554772
Energy: 1.619760359343782
Energy: 1.5044577887887605
Energy: 1.549787761731421
Energy: 1.4315288593645907
Energy: 1.506146269598447
Energy: 1.548975894796621
Energy: 1.447423053008379
Energy: 1.6892115738780074
Energy: 1.4752427070983154
Energy: 1.4744328443122665
Energy: 1.4746599885129748
Energy: 1.4753667504219625
Energy: 1.5872153317935207
Energy: 1.4781646741948948
Energy: 1.491174703296552
Energy: 1.4910129411699844
Energy: 1.4822982330190273
Energy: 1.4914323060192123
Energy: 1.6345592983111623
Energy: 1.4822767877725371
Energy: 1.5033628276558781
Energy: 1.4555334722344193
Energy: 1.5853799319714195
Energy: 1.5031507033318505
Energy: 1.4963822533556896
Energy: 1.5853715166230529
Energy: 1.5531322473729925
Energy: 1.6274080324085154
Energy: 1.5694958102526866
Energy: 1.5538087408620838
Energy: 1.6553149754426142
Energy: 1.5768182740717531
Energy: 1.5353960323222187
Energy: 1.5694378328871594
Energy: 1.5689150617161658
Energy: 1.4561503451928186
Energy: 1.758807546220691
Energy: 1.569363708044883
Energy: 1.5365975008951602
Energy: 1.4134352155010312
Energy: 1.4166266004309522
Energy: 1.5352173662079578
Energy: 1.8949588739765308
Energy: 1.5715271753186881
Energy: 1.619930272707375
Energy: 1.5883188334545473
Energy: 1.5874345251438318
Energy: 1.623026525154778
Energy: 1.4869453916917326
Energy: 1.6184420717524002
Energy: 1.6135805715732987
Energy: 1.482001812030213
Energy: 1.4856861793435214
Energy: 1.616426550194804
Energy: 1.4821144957858372
Energy: 1.4758524669002075
Energy: 1.4617183069131008
Energy: 1.4685238963964384
Energy: 1.4794273375081997
Energy: 1.4614584503091081
Energy: 1.4685581437868551
Energy: 1.4784939958352614
Energy: 1.8890758291653231
Energy: 1.4492034908490603
Energy: 1.4498350816681451
Energy: 2.042717328263609
Energy: 1.4493423837363293
Energy: 1.450771752928297
Energy: 1.4646491495161693
Energy: 1.4494476555071634
Energy: 1.448179405493442
Energy: 1.4652484582631715
Energy: 1.4493897859279696
Energy: 1.4479015833696007
Energy: 1.4625992471723084
Energy: 1.4485295760762387
Energy: 1.4489396263410315
Energy: 1.4629432986472408
Energy: 1.4659507894830623
Energy: 1.4514867629252173
Energy: 1.9120853205049515
Energy: 1.4467373104501196
Energy: 1.4460290007914223
Energy: 1.911171651160277
Energy: 1.4517498801776052
Energy: 1.562477523065193
Energy: 1.461855328526191
Energy: 1.5168698390489719
Energy: 1.5159289009801988
Energy: 1.462596396932655
Energy: 1.5951133282747054
Energy: 1.5609298147096131
Energy: 1.4676395882198219
Energy: 1.5638284211524034
Energy: 1.569091511610137
Energy: 1.4660164702884084
Energy: 1.5641569141111373
Energy: 1.5656802999957322
Energy: 1.7974718873318738
Energy: 1.5474048307670016
Energy: 1.5447171928311436
Energy: 1.879331555683742
Energy: 1.5199780204763118
Energy: 1.4906946456355041
Energy: 1.7229686223827205
Energy: 1.5906726662224795
Energy: 1.6095693338688029
Energy: 1.7246017953669508
Energy: 1.6206386986152668
Energy: 1.6468346326839032
Energy: 1.499864597341244
Energy: 1.5685558966069655
Energy: 1.6158894135960997
Energy: 1.4997659352977089
Energy: 1.6224044829275202
Energy: 1.5010088408689028
Energy: 1.4961969616967379
Energy: 1.4943766902667168
Energy: 1.5006295913237802
Energy: 1.4960523844394205
Energy: 1.6198296375893138
Energy: 1.5021673400581075
Energy: 1.679296155083972
Energy: 1.4364791106966837
Energy: 1.432561063558623
Energy: 1.6753349387809695
Energy: 1.3842272232947366
Energy: 1.62474177391484
Energy: 1.4777827221693243
Energy: 1.4646065334379685
Energy: 1.4607458804517814
Energy: 1.4778026882936974
Energy: 1.5863307878356332
Energy: 1.4645160813964877
Energy: 1.4954508655863505
Energy: 1.494157628573065
Energy: 1.4864941970824113
Energy: 1.495294691197311
Energy: 1.622221607572456
Energy: 1.4841048505274468
Energy: 1.4876695762395522
Energy: 1.454971454482006
Energy: 1.5656729837511172
Energy: 1.4874023580996836
Energy: 1.4542621907199837
Energy: 1.5612328486451614
Energy: 1.5328243365519587
Energy: 1.63909583600524
Energy: 1.463040695370909
Energy: 1.5322545604574966
Energy: 1.6387874813152579
Energy: 1.51696042303806
Energy: 1.5331926047170223
Energy: 1.5458055088887859
Energy: 1.5315742105612487
Energy: 1.5314145731716966
Energy: 1.7190064739733601
Energy: 1.5418514063795787
Energy: 1.5340534348472101
Energy: 1.61564695920529
Energy: 1.543457851230234
Energy: 1.5328264405081535
Energy: 1.8447341560545636
Energy: 1.5464666470231947
Energy: 1.6144382897467027
Energy: 1.6510869230350327
Energy: 1.6542079671637195
Energy: 1.6175994291539515
Energy: 1.736681049723734
Energy: 1.6554163758245808
Energy: 1.6215771729240192
Energy: 1.5190375198914163
Energy: 1.5913847550372149
Energy: 1.6246416309504383
Energy: 1.5191262769080942
Energy: 1.6066401644393968
Energy: 1.715109150599648
Energy: 1.520378500787479
Energy: 1.5182379018522907
Energy: 1.695242458336024
Energy: 1.517660448143015
Energy: 1.5194003257161977
Energy: 1.965108862703077
Energy: 1.7044886449403964
Energy: 1.6000720117561147
Energy: 1.459354189196528
Energy: 1.7039678389416268
Energy: 1.4502461651790388

minimum gb energy = 1.3842272232947366 eV
minimum distance =  2.52343092759546 Angstroms
sigma value = 51


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

Energy: 1.9754120454398156
Energy: 1.4505853740522754
Energy: 1.5807754754083674
Energy: 1.9741462302783246
Energy: 1.4506209478289716
Energy: 1.5255981569732833
Energy: 1.5322538142208537
Energy: 1.457201832698749
Energy: 1.456604940160021
Energy: 1.5805631750212477
Energy: 1.4566733154124811
Energy: 1.4561051253210961
Energy: 1.5651883028904603
Energy: 1.4523888509765175
Energy: 1.453507798628217
Energy: 1.572979551440697
Energy: 1.4520120986706138
Energy: 1.4538901106975648
Energy: 1.7935731857358952
Energy: 1.6327589281991517
Energy: 1.5260352623474338
Energy: 1.8005184149629754
Energy: 1.6329971749076553
Energy: 1.5537536375788419
Energy: 1.5350844874319276
Energy: 1.5515746609630066
Energy: 1.5598699517109973
Energy: 1.5327645578845677
Energy: 1.5378249736316414
Energy: 1.554655149378011
Energy: 1.5379997434492443
Energy: 1.546735959768328
Energy: 1.5342149522824415
Energy: 1.5335842317313788
Energy: 1.5331601040201204
Energy: 1.5323345019471282
Energy: 1.5333648937106288
Energy: 1.5486374843350148
Energy: 1.5342619358324883
Energy: 1.5329900361859978
Energy: 1.5735026167883972
Energy: 1.5691878169451583
Energy: 1.672386181467833
Energy: 1.4222469417615693
Energy: 1.4219391823837528
Energy: 1.6721028147268906
Energy: 1.9864664018841498
Energy: 1.4977252650471842
Energy: 1.4520173638515925
Energy: 1.480343997855114
Energy: 1.488476000150537
Energy: 1.4521611026643133
Energy: 1.4440861989842735
Energy: 1.4528277066533248
Energy: 1.4584345949333775
Energy: 1.3929749806348541
Energy: 1.4194037205818915
Energy: 1.4587096308519063
Energy: 1.5549316463149707
Energy: 1.4544979098519084
Energy: 1.511003833644968
Energy: 1.4433423842254967
Energy: 1.50116956076393
Energy: 1.5113220727359589
Energy: 1.4387906174378298
Energy: 1.590680628982562
Energy: 1.4583466934579516
Energy: 1.5812267958734216
Energy: 1.3939020408062717
Energy: 1.4583236470551921
Energy: 1.5444243774792132
Energy: 1.430750930894596
Energy: 1.4449765409596074
Energy: 1.438432082040696
Energy: 1.4463242778099477
Energy: 1.4464482817686923
Energy: 1.7031740438743947
Energy: 1.4486828166421324
Energy: 1.4455337008450269
Energy: 1.4468719313734921
Energy: 1.5579329377882147
Energy: 1.445593872652534
Energy: 1.8032351615887057
Energy: 1.4466643967425827
Energy: 1.6098590478678287
Energy: 1.5193707126829572
Energy: 1.5765311315941748
Energy: 1.6096055312478383
Energy: 1.445543719279189
Energy: 1.5172646383852633
Energy: 1.6111814832367055
Energy: 1.4464671172844281
Energy: 1.4489669301198733
Energy: 1.613672048502746
Energy: 1.445383314568431
Energy: 1.4693893089657406
Energy: 1.575788684138505
Energy: 1.4534252928997262
Energy: 1.4522417971970085
Energy: 1.5340869003408717
Energy: 1.4536388935377096
Energy: 1.45002772154949
Energy: 1.965430774022374
Energy: 1.4588778404836025
Energy: 1.4607650522903435
Energy: 1.9681518026056692
Energy: 1.4580791073953205
Energy: 1.448142754031725

minimum gb energy = 1.3929749806348541 eV
minimum distance =  2.52928702127138 Angstroms
sigma value = 19


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

Energy: 1.790187300830263
Energy: 1.3844954511689642
Energy: 1.2801838530923533
Energy: 1.6932987015548442
Energy: 1.3846601282317346
Energy: 1.3712779528865349
Energy: 1.5889081271879633
Energy: 1.3898843751515708
Energy: 1.3720973369572411
Energy: 1.458728681735416
Energy: 1.3895125142669975
Energy: 1.3942230563342837
Energy: 2.0353970288592897
Energy: 1.3634643653519303
Energy: 1.390261081788915
Energy: 1.3601726832946963
Energy: 1.382359811157568
Energy: 1.3641484607283711
Energy: 1.529087058464334
Energy: 1.5932779113829838
Energy: 1.4406918281772605
Energy: 1.5297613917709458
Energy: 1.590497893745896
Energy: 1.4352790489754643
Energy: 1.5842230744438486
Energy: 1.4229341923066854
Energy: 1.3969632697328558
Energy: 1.510667438751733
Energy: 1.5177450512493236
Energy: 1.4834846451114818
Energy: 1.6317833738508285
Energy: 1.3148181985063716
Energy: 1.5100764814841967
Energy: 1.6347213344753142
Energy: 1.3142165102348462
Energy: 1.502322032948825
Energy: 1.6268790832963425
Energy: 1.5202201056733724
Energy: 1.520449136616034
Energy: 1.629925346123268
Energy: 1.535446999645723
Energy: 1.4969916855266818
Energy: 1.568711211130405
Energy: 1.3397949925486172
Energy: 1.2356908848260189
Energy: 1.5762470317104258
Energy: 1.6939352217305348
Energy: 1.2806320247417915
Energy: 1.4435282646232857
Energy: 1.2580232341621318
Energy: 1.2353727153850529
Energy: 1.443281876788239
Energy: 1.324291993063208
Energy: 1.2342597686299444
Energy: 1.429370726447991
Energy: 1.4609406839509531
Energy: 1.412828777371623
Energy: 1.4282162184830909
Energy: 1.5519871798342424
Energy: 1.4203664677412218
Energy: 1.4142344082796883
Energy: 1.3939338309263298
Energy: 1.4151858185036246
Energy: 1.413600935704951
Energy: 1.5300649569301719
Energy: 1.4259471252411582
Energy: 1.569870085753994
Energy: 1.5995956992820264
Energy: 1.5275051021995119
Energy: 1.5471933119152559
Energy: 1.572471795794805
Energy: 1.4786961904276126
Energy: 1.311642537801904
Energy: 1.5167721033381751
Energy: 1.5143823802665068
Energy: 1.312467452192151
Energy: 1.6424346713774718
Energy: 1.5178022823621358
Energy: 1.5296059705344196
Energy: 1.5292725382170247
Energy: 1.5122603594212585
Energy: 1.5462769457702683
Energy: 1.645535484956025
Energy: 1.5217901973259924
Energy: 1.6934037558758348
Energy: 1.5809315014633942
Energy: 1.4453698131627362
Energy: 1.6937901948599363
Energy: 1.581175675449562
Energy: 1.2363559629245933
Energy: 1.6937202412859218
Energy: 1.4824975129374645
Energy: 1.304979173764858
Energy: 1.6937384812460632
Energy: 1.446826584753104
Energy: 1.2352508589002293
Energy: 1.563652162657995
Energy: 1.460473480467671
Energy: 1.4596385281449682
Energy: 1.566200498258458
Energy: 1.4588460985689125
Energy: 1.4600742374078606
Energy: 1.5547119480371707
Energy: 1.4150692389534
Energy: 1.4156165879988503
Energy: 1.5271512004980723
Energy: 1.4149273730167997
Energy: 1.4165966235975647
Energy: 1.5545619622168947
Energy: 1.4423988433703343
Energy: 1.4411919587159105
Energy: 1.556219261030449
Energy: 1.5704273868911316
Energy: 1.437278493431457
Energy: 1.5983769733352606
Energy: 1.3146747597012975
Energy: 1.5499128721355746
Energy: 1.6003002880851578
Energy: 1.3150363128080642
Energy: 1.5485639626855092
Energy: 1.6390147252740028
Energy: 1.5391643839298086
Energy: 1.5208411217736775
Energy: 1.6410986467842856
Energy: 1.541752445512683
Energy: 1.5205623593019775
Energy: 1.5797654728031922
Energy: 1.5224932300068814
Energy: 1.5081259043022617
Energy: 1.5804980004485307
Energy: 1.5400912677616823
Energy: 1.5229004683717318
Energy: 1.576856807096484
Energy: 1.2342798452214292
Energy: 1.323160272767509
Energy: 1.5778046853585688
Energy: 1.6937661889743796
Energy: 1.2787807445853612
Energy: 1.435793549416051
Energy: 1.560917352146811
Energy: 1.4427159506128984
Energy: 1.439421040046451
Energy: 1.4383904288219544
Energy: 1.4383802048810994
Energy: 1.4295629726687777
Energy: 1.435407789579015
Energy: 1.4309325929421253
Energy: 1.4318331480204147
Energy: 1.448113938826191
Energy: 1.4239223869032662
Energy: 1.5817632250456815
Energy: 1.4154800117169979
Energy: 1.4153457230805777
Energy: 1.5883939161954852
Energy: 1.5331217620925028
Energy: 1.3476454223827368
Energy: 1.601288329576873
Energy: 1.556594752112544
Energy: 1.553053101541224
Energy: 1.4568177280678922
Energy: 1.5501340174505096
Energy: 1.557924312530135
Energy: 1.3114598513744995
Energy: 1.542198001202633
Energy: 1.4602048755366055
Energy: 1.3154424807199356
Energy: 1.5956800902708712
Energy: 1.5121167620166507
Energy: 1.5895342171627997
Energy: 1.496086576969718
Energy: 1.4340975010694808
Energy: 1.5048305750247257
Energy: 1.5807367460681718
Energy: 1.4607429161170231
Energy: 1.792136373684725
Energy: 1.5177031515785084
Energy: 1.2811325603351151
Energy: 1.6939545178172781
Energy: 1.5179374829480359
Energy: 1.3243958478003481

minimum gb energy = 1.2342597686299444 eV
minimum distance =  2.56724846679984 Angstroms
sigma value = 27


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

Energy: 1.5090348610835653
Energy: 1.2857297649751185
Energy: 1.563731140149177
Energy: 1.5127680994136548
Energy: 1.286068750849622
Energy: 1.5596805470698947
Energy: 1.5593713780402578
Energy: 1.2973870369446023
Energy: 1.2986162553150187
Energy: 1.546001282445194
Energy: 1.2964003090604321
Energy: 1.299969530278313
Energy: 1.37332051447335
Energy: 1.2970437064760163
Energy: 1.2964317875900329
Energy: 1.3818660992947305
Energy: 1.2970158535176282
Energy: 1.2958437712680217
Energy: 1.5664305414174158
Energy: 1.2956259010374755
Energy: 1.2965332446239786
Energy: 1.2981603391355818
Energy: 1.297552481527917
Energy: 1.2994437562894423
Energy: 1.5480039862614028
Energy: 1.2238328560626996
Energy: 1.3218365453967302
Energy: 1.5498910514081206
Energy: 1.5155502632766535
Energy: 1.322268501422463
Energy: 1.29691482437257
Energy: 1.5174459985792754
Energy: 1.2146926976073453
Energy: 1.296822516512295
Energy: 1.5164556160831468
Energy: 1.2141750023140008
Energy: 1.299940449391311
Energy: 1.3574248251541594
Energy: 1.3498965092626802
Energy: 1.297146761778405
Energy: 1.3192097780380272
Energy: 1.2974272050167686
Energy: 1.2850153006902232
Energy: 1.2872698826191662
Energy: 1.287205958580397
Energy: 1.2849722390424994
Energy: 1.386623105602164
Energy: 1.3809101019980279
Energy: 1.3756337360645614
Energy: 1.2897993665026977
Energy: 1.3540287041748
Energy: 1.375759064808166
Energy: 1.5122126801710871
Energy: 1.3537591781284435
Energy: 1.3778536103377474
Energy: 1.3079854466114977
Energy: 1.314124569769885
Energy: 1.3728233016818518
Energy: 1.3749515042217404
Energy: 1.3148515889566212
Energy: 1.3714108962519098
Energy: 1.376803028116892
Energy: 1.3056204102214022
Energy: 1.3709866054034012
Energy: 1.375215974892979
Energy: 1.306911825046143
Energy: 1.567658972750919
Energy: 1.3766649440241039
Energy: 1.299920492025267
Energy: 1.295077101413044
Energy: 1.378590370931316
Energy: 1.316850301343053

minimum gb energy = 1.2141750023140008 eV
minimum distance =  2.53285640051551 Angstroms
sigma value = 9


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

Energy: 2.2175636335043087
Energy: 1.562019155276781
Energy: 1.140120725736238
Energy: 1.5599897401531042
Energy: 1.5625776484170584
Energy: 1.1401569716203845
Energy: 1.1941370095602113
Energy: 1.148051710376766
Energy: 1.1475552746911017
Energy: 1.1496661838749789
Energy: 1.1503119718722332
Energy: 1.148812696325103
Energy: 1.1923010997811816
Energy: 1.1483640829533224
Energy: 1.146534287721363
Energy: 1.218260688406952
Energy: 1.1476701838680488
Energy: 1.1471974774620932
Energy: 1.5178069524860425
Energy: 1.1478814892393951
Energy: 1.1285441333939266
Energy: 1.2843650667448472
Energy: 1.1474538295165049
Energy: 1.1343426554105727
Energy: 1.344640181731566
Energy: 1.1993562429891274
Energy: 1.0956786770544915
Energy: 1.3441162365910109
Energy: 1.3405951881543916
Energy: 1.2752798703863135
Energy: 1.1751635744482263
Energy: 1.1410988113568077
Energy: 1.1833570811318341
Energy: 1.1760050769352497
Energy: 1.1424651371446093
Energy: 1.183365554597292
Energy: 1.1765528203874978
Energy: 1.1158924999888638
Energy: 1.1132541100203641
Energy: 1.1771090674435751
Energy: 1.177822236523005
Energy: 1.178921427439247
Energy: 1.1446536758681674
Energy: 1.2793029133386917
Energy: 1.1253721623160065
Energy: 1.144118818256557
Energy: 1.2775537160957762
Energy: 1.1428891422682732
Energy: 1.1913007799752873
Energy: 1.1810360509002882
Energy: 1.2520354292515927
Energy: 1.1916387519486844
Energy: 1.2626539416291176
Energy: 1.2078802670648658
Energy: 1.7365032825688105
Energy: 1.1523246857164617
Energy: 1.2089174666560156
Energy: 1.1485110572192698
Energy: 1.157268360849157
Energy: 1.1632169920310138
Energy: 1.1030728836056944
Energy: 1.142906573789969
Energy: 1.1422647190514295
Energy: 1.1555884617087713
Energy: 1.1432231463292255
Energy: 1.1459073077671684
Energy: 1.348699666671305
Energy: 1.1775259479720173
Energy: 1.177720732034364
Energy: 1.3139609389766167
Energy: 1.1780559033492601
Energy: 1.1783047543821878
Energy: 1.9728218604219525
Energy: 1.184886257141474
Energy: 1.1987881208716273
Energy: 1.3008241146687023
Energy: 1.1847494220662742
Energy: 1.2230693599707947
Energy: 1.1897036068383615
Energy: 1.180009684523358
Energy: 1.1770242486855855
Energy: 1.3120101389200016
Energy: 1.2412167567956605
Energy: 1.1103777546069513
Energy: 1.147146763273694
Energy: 1.274997404613712
Energy: 1.3290049942747282
Energy: 1.1474448356197549
Energy: 1.282094057600427
Energy: 1.1479600980200808
Energy: 1.1492337210182384
Energy: 1.1790062263756764
Energy: 1.1478808291790232
Energy: 1.1499209026093085
Energy: 1.2022558610099543
Energy: 1.1468511745401453
Energy: 1.1457392532219168
Energy: 1.1544472172448033
Energy: 1.2048995529583704
Energy: 1.1461836191474162
Energy: 1.2738819599668705
Energy: 1.1526532008647448
Energy: 1.192200565899535
Energy: 1.1223317518813105
Energy: 1.1441133990076906
Energy: 1.1965203086042588
Energy: 1.156079394997775
Energy: 1.1454447080291312
Energy: 1.1925045990073433
Energy: 1.212279713377496
Energy: 1.1840275824886222
Energy: 1.192988432707021
Energy: 1.200504729743247
Energy: 1.1475449150086274
Energy: 1.1946357190288532
Energy: 1.1954266750485014
Energy: 1.1778964156936393
Energy: 1.1941495989735784
Energy: 1.193246043881656
Energy: 1.1764348774950553
Energy: 1.1932778314612598
Energy: 1.1943852909551655
Energy: 1.1785499715669998
Energy: 1.1949817114703412
Energy: 1.1947780305910638
Energy: 1.2067482718782163
Energy: 1.2642525314962512
Energy: 1.158409764084162
Energy: 1.2282822693024598
Energy: 1.349259618220444
Energy: 1.4499293777140583
Energy: 1.180710547643421
Energy: 1.2604589487829543
Energy: 1.147763282923894
Energy: 1.1495781965523564
Energy: 1.2861111262631584
Energy: 1.1473212094382716
Energy: 1.2165976594426595
Energy: 1.1916536757414238
Energy: 1.14831560270636
Energy: 1.1477892272346504
Energy: 1.2015544317164957
Energy: 1.1502286925142018
Energy: 1.148175895122619
Energy: 1.506727616920288
Energy: 1.1473164168746546
Energy: 1.1483747656263892
Energy: 1.479205202836405
Energy: 1.1465164815773694
Energy: 1.267803633379802
Energy: 1.1944320847110257
Energy: 1.253641291437045
Energy: 1.1419528245735708
Energy: 1.193761000632924
Energy: 1.2539893867734402
Energy: 1.2321406747035106
Energy: 1.174028170696024
Energy: 1.19404942891236
Energy: 1.1867688212344771
Energy: 1.172336874589238
Energy: 1.260646162703683
Energy: 1.2060665548665046
Energy: 1.178355181765755
Energy: 1.1186377941010697
Energy: 1.229398190677499
Energy: 1.1790767871181422
Energy: 1.2794336603164647
Energy: 1.1808940948111333
Energy: 1.1420579225654826
Energy: 1.1874716450743132
Energy: 1.1406307053022138
Energy: 1.1427545026523078
Energy: 1.2672635826249763
Energy: 1.1419322370892002
Energy: 1.1570974552739954
Energy: 1.2802098863319011
Energy: 1.2088638473738267
Energy: 1.156331438759831
Energy: 1.2785155857626158
Energy: 1.206688521996991
Energy: 1.102922649728048
Energy: 1.1242273588961031
Energy: 1.2073007511922544
Energy: 1.1558840258040604
Energy: 1.1923490629623867
Energy: 1.1977866535415238
Energy: 1.7340352252124642
Energy: 1.1419169527275532
Energy: 1.1420123278112246
Energy: 1.168970933320395
Energy: 1.1421772761296494
Energy: 1.1637173545347037
Energy: 1.1879157248525962
Energy: 1.1781665368851288
Energy: 1.179024994037068
Energy: 1.1910036958055816
Energy: 1.1773983231591583
Energy: 1.1759701208644602
Energy: 1.4985826153349595
Energy: 1.172250623552377
Energy: 1.1731330294395392
Energy: 1.3046687017296033
Energy: 1.1725784632055045
Energy: 1.2147336853294888
Energy: 1.1841625036921355
Energy: 1.1694230963712546
Energy: 1.1486688182887572
Energy: 1.2111028925981784
Energy: 1.3432752653185696
Energy: 1.1197130335044652
Energy: 1.147943692106094
Energy: 1.2740958331015204
Energy: 1.1372443656751412
Energy: 1.1485762257614505
Energy: 1.27466190562004
Energy: 1.1604091107155472
Energy: 1.1456769263518574
Energy: 1.2108670275204296
Energy: 1.2103964998457477
Energy: 1.1471196490342896
Energy: 1.2189671229555925
Energy: 1.1466516521691308
Energy: 1.1456544163618574
Energy: 1.2003507670134983
Energy: 1.1963059972933847
Energy: 1.1460689631539065
Energy: 1.2512674205236873
Energy: 1.1480303017206372
Energy: 1.143138286774481
Energy: 1.2322987701494277
Energy: 1.1661117763642652
Energy: 1.1436321373332528
Energy: 1.259622196170545
Energy: 1.2825964099443605
Energy: 1.192993966619637
Energy: 1.2184944981065229
Energy: 1.1958003449818804
Energy: 1.1926541621808704
Energy: 1.2451141418309917
Energy: 1.1939575630820578
Energy: 1.1922514100028163
Energy: 1.2150977196357087
Energy: 1.182601734291937
Energy: 1.1935718433010762
Energy: 1.1962845500485921
Energy: 1.212429100849862
Energy: 1.1907898686519554
Energy: 1.1945895999965868
Energy: 1.2121921258629091
Energy: 1.1913429496160077
Energy: 1.1957338560874542
Energy: 1.2112032384412894
Energy: 1.2603643924168122
Energy: 1.1477711864317939
Energy: 1.1489500297099844
Energy: 1.2409074090836563
Energy: 1.1929581813272474
Energy: 1.2164522247529708

minimum gb energy = 1.0956786770544915 eV
minimum distance =  2.49926313554414 Angstroms
sigma value = 57


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

Energy: 0.44817388758589594
Energy: 0.5526620033307904
Energy: 0.47230837371414214
Energy: 0.4544101310295643
Energy: 0.5528140516720859
Energy: 0.44960792054056326
Energy: 0.6696268896786596
Energy: 0.553800931471832
Energy: 0.5793406395201144
Energy: 0.5511800891193607
Energy: 0.5531159998109998
Energy: 0.5794224647818251
Energy: 0.6710023541892288
Energy: 0.5548241647562776
Energy: 0.5549533868100821
Energy: 0.6707049409352862
Energy: 0.5552724819467423
Energy: 0.5544101197150121
Energy: 0.6709065050064217
Energy: 0.554504173916801
Energy: 0.5543222990234009
Energy: 0.6702480698362135
Energy: 0.6706748291118729
Energy: 0.6752684945706005
Energy: 0.6684146182500817
Energy: 0.44917562452759763
Energy: 0.5305554023476936
Energy: 0.6697615250738708
Energy: 0.4486778412229141
Energy: 0.5534902414890321
Energy: 0.555474457529443
Energy: 0.44856178697262633
Energy: 0.4494961878625987
Energy: 0.5552002372679903
Energy: 0.44845750087140207
Energy: 0.524289092446717
Energy: 0.5490005691398328
Energy: 0.48335968832291387
Energy: 0.4842207659400608
Energy: 0.5504941939486334
Energy: 0.5539028150709884
Energy: 0.5805583903600307
Energy: 0.554665595671385
Energy: 0.6765017129229374
Energy: 0.6760587148599595
Energy: 0.5541395032580814
Energy: 0.5543842598419952
Energy: 0.5543987838006234
Energy: 0.6662153477993094
Energy: 0.5527338604576757
Energy: 0.558136220358171
Energy: 0.6679707372586604
Energy: 0.6713704111213027
Energy: 0.554169329984148
Energy: 0.44863863673032744
Energy: 0.5526142370252437
Energy: 0.5273567595564462
Energy: 0.44840817448443293
Energy: 0.6706016713358998
Energy: 0.5632383452379186
Energy: 0.4485693772584961
Energy: 0.5818929245915471
Energy: 0.4876490092310002
Energy: 0.4485892534531699
Energy: 0.5544425291764828
Energy: 0.5295905925755008
Energy: 0.6692119792999086
Energy: 0.5535626642859656
Energy: 0.5535192804782838
Energy: 0.6697397057990018
Energy: 0.5529895253914625
Energy: 0.582666203001228
Energy: 0.6713781973162121
Energy: 0.6698886200054655
Energy: 0.6757491142559593
Energy: 0.6768762435497054
Energy: 0.6697632927213789
Energy: 0.6755786071912019
Energy: 0.6675906802134869
Energy: 0.5525569113908612
Energy: 0.5534548161433267
Energy: 0.6695799759278199
Energy: 0.5526154738349464
Energy: 0.5589975494715049
Energy: 0.6709874290654722
Energy: 0.4483494627076158
Energy: 0.44905084754147145
Energy: 0.6718845077680066
Energy: 0.44837439164911974
Energy: 0.5249549944952193
Energy: 0.5532858741613779
Energy: 0.5525561556118098
Energy: 0.5816029863853391
Energy: 0.5532792120304001
Energy: 0.449332910480691
Energy: 0.5796415556897546
Energy: 0.5549608949421492
Energy: 0.5529848366123362
Energy: 0.5858153181195829
Energy: 0.5545769755734381
Energy: 0.5525360532522996
Energy: 0.5542258677270365
Energy: 0.6707264405515113
Energy: 0.6760662882791293
Energy: 0.6760016057915869
Energy: 0.6711678478908952
Energy: 0.5535364310932515
Energy: 0.5544744154393736
Energy: 0.4486629290851447
Energy: 0.6749015631251122
Energy: 0.5823860569460254
Energy: 0.4487925011930841
Energy: 0.6699030935288661
Energy: 0.5533689192816588

minimum gb energy = 0.44817388758589594 eV
minimum distance =  2.54648306890862 Angstroms
sigma value = 11


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

Energy: 1.8518144744636957
Energy: 0.9908691872807149
Energy: 1.3508406610758286
Energy: 1.2839831167408033
Energy: 0.9910030124690911
Energy: 1.3511495453376867
Energy: 0.9870035908164371
Energy: 0.9847637613966796
Energy: 1.0673546557609104
Energy: 1.0980611170827583
Energy: 0.9845758654520202
Energy: 0.9956570428021421
Energy: 0.9964985140865077
Energy: 0.9915603261863213
Energy: 0.9923047694389485
Energy: 0.9980210486460026
Energy: 0.9895748677045055
Energy: 0.9962021683014743
Energy: 0.9947663582046178
Energy: 0.9882171176752003
Energy: 1.0201855256845849
Energy: 0.996527699341279
Energy: 0.9859097067803929
Energy: 0.9883368036787717
Energy: 0.9860963548919198
Energy: 0.9897206824324878
Energy: 0.9296046156046682
Energy: 0.9861697942470098
Energy: 1.4075442009858892
Energy: 0.9915805779120396
Energy: 1.0849508360211515
Energy: 1.0391305907644097
Energy: 1.0974850237441058
Energy: 1.0484744076749546
Energy: 1.038469374395954
Energy: 1.032952569371432
Energy: 1.087583812094618
Energy: 1.0046890705256752
Energy: 0.9930991429982959
Energy: 0.9902298762764463
Energy: 1.0471403882250077
Energy: 0.9800529352700753
Energy: 1.0588758441520254
Energy: 1.0779548344637506
Energy: 1.0781708430556565
Energy: 1.0290759537757606
Energy: 1.0806838464608841
Energy: 1.0791449412849785
Energy: 1.3053588464594499
Energy: 0.9919438263327324
Energy: 0.9925235447069387
Energy: 1.0530520610630238
Energy: 0.9986696660544737
Energy: 0.9970987049963546
Energy: 1.6432333100207954
Energy: 0.9916753105914516
Energy: 1.033644053119024
Energy: 1.2549509722055099
Energy: 0.9918328851758941
Energy: 1.0261568525822193
Energy: 1.3815851545851046
Energy: 1.0024525027758628
Energy: 0.9320276273384573
Energy: 1.2088096444218892
Energy: 1.0324432748894774
Energy: 1.006618778464511
Energy: 1.182536334396077
Energy: 0.9518465171099895
Energy: 0.998082787049759
Energy: 1.0831905192714983
Energy: 0.9599273275669296
Energy: 0.9927095919887573
Energy: 1.0962066397382533
Energy: 0.9527919086161215
Energy: 1.0346939045177044
Energy: 1.0959986746421646
Energy: 1.4282081057186922
Energy: 0.9925237920412514
Energy: 1.0917173112874485
Energy: 0.9339847800827907
Energy: 0.9359926109377428
Energy: 1.0917293044350058
Energy: 0.932485437094043
Energy: 0.9315683069523654
Energy: 1.0923236957443203
Energy: 1.3292559827583459
Energy: 1.2847691426070709
Energy: 1.0918148246700028
Energy: 1.2382334165284015
Energy: 1.0943962743107536
Energy: 1.156636743915872
Energy: 0.9941456654448075
Energy: 0.9360963810908234
Energy: 1.4993755989154578
Energy: 1.0929992260256682
Energy: 0.931663751917763
Energy: 1.444961099361095
Energy: 1.3134866357562691
Energy: 1.1505405222514922
Energy: 1.447571378251168
Energy: 1.4192755708877287
Energy: 1.1491954703524594
Energy: 1.1657806542956595
Energy: 1.1275912535240327
Energy: 0.9302398719594818
Energy: 1.0383193756460707
Energy: 1.0908017471370852
Energy: 0.9317599384044588
Energy: 1.159858782039767
Energy: 1.0917105698938592
Energy: 0.9911523147601773
Energy: 0.9981310111832975
Energy: 1.0917900845412458
Energy: 0.9924674598215941
Energy: 1.245839561130753
Energy: 1.092561853649207
Energy: 1.1609203527157672
Energy: 1.2478851413233591
Energy: 1.0916002000857488
Energy: 1.0929055855062102
Energy: 1.4197230772482263
Energy: 0.9910713435522933
Energy: 0.9914288660867734
Energy: 0.9930903512023423
Energy: 1.0506340651129435
Energy: 0.9308366354035263
Energy: 1.158682423656712
Energy: 1.254924600179209
Energy: 1.2545789314344542
Energy: 1.1588629877562817
Energy: 1.278480748387433
Energy: 1.205997268983216
Energy: 0.9916906913983884
Energy: 0.9897046344932794
Energy: 0.9922830003804445
Energy: 0.9916305366901021
Energy: 0.9921365796414504
Energy: 0.9303621481766127
Energy: 1.0180456470605495
Energy: 0.9882879772788526
Energy: 1.0195523569981928
Energy: 1.0193325804202178
Energy: 1.2357988531714519
Energy: 1.019866839928492
Energy: 1.0839458717572719
Energy: 0.9874750039566579
Energy: 0.9876860272224314
Energy: 1.0832521185434771
Energy: 0.9885537516939277
Energy: 0.9992403780037721
Energy: 1.1565639452574799
Energy: 1.0476460344387606
Energy: 1.0414393367242825
Energy: 1.2679399096350563
Energy: 0.987314725382942
Energy: 1.0727513817997618

minimum gb energy = 0.9296046156046682 eV
minimum distance =  2.48855497126726 Angstroms
sigma value = 41


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

Energy: 1.8436132270716024
Energy: 1.112469582567462
Energy: 1.1624804454384075
Energy: 1.8439954969195185
Energy: 1.1125968847289214
Energy: 1.4060185834280103
Energy: 1.1100009547996814
Energy: 1.1103860419196707
Energy: 1.1134356235108878
Energy: 1.1546307438449568
Energy: 1.1101292748339788
Energy: 1.1086072177337158
Energy: 1.1113987256343785
Energy: 1.1112121556831742
Energy: 1.1113740099705312
Energy: 1.1111093879975456
Energy: 1.1115357885197235
Energy: 1.1334288218423167
Energy: 1.1110961347666126
Energy: 1.134296958880428
Energy: 1.15031353466325
Energy: 1.1144539687793793
Energy: 1.1125056790259684
Energy: 1.1117747721667068
Energy: 1.1103225367397682
Energy: 1.0984661677654683
Energy: 1.0842424589680904
Energy: 1.1103557288088841
Energy: 1.259601933559753
Energy: 1.0868788270541059
Energy: 1.266602487054303
Energy: 1.1240025716488289
Energy: 1.123913336263525
Energy: 1.1114274098557888
Energy: 1.2612055503068695
Energy: 1.126309091628073
Energy: 1.2660049591008327
Energy: 1.148575694834381
Energy: 1.1279271106246884
Energy: 1.1114073201744195
Energy: 1.1279596044004887
Energy: 1.111113792799563
Energy: 1.2208017493577266
Energy: 1.1808841366196838
Energy: 1.1810056139793517
Energy: 1.2148498619940191
Energy: 1.1797859123150176
Energy: 1.231808517415387
Energy: 1.4908666663222994
Energy: 1.1251801586976158
Energy: 1.1246250652681058
Energy: 1.0865140763676266
Energy: 1.1247248420408658
Energy: 1.094379618850432
Energy: 1.518108870702298
Energy: 1.1262560633363436
Energy: 1.1265657669054663
Energy: 1.519945060293372
Energy: 1.1263704926804061
Energy: 1.128045740279093
Energy: 1.485537952912159
Energy: 1.1260308550652707
Energy: 1.1066625803857628
Energy: 1.0870526112722487
Energy: 1.1731206100633074
Energy: 1.0935069849778554
Energy: 1.404956553830499
Energy: 1.0578409148886496
Energy: 1.003465022941981
Energy: 1.2607427334816708
Energy: 1.0572610950172254
Energy: 1.1113706591143389
Energy: 1.1262226710905208
Energy: 1.0297905079203484
Energy: 1.1979455616594878
Energy: 1.1260283211871316
Energy: 1.0593408692672956
Energy: 1.198697012426039
Energy: 1.1249536318412676
Energy: 1.1082783266978278
Energy: 1.0947510421188884
Energy: 1.1249724077583363
Energy: 1.1531739535535612
Energy: 1.1262783729098826
Energy: 1.2524085758173185
Energy: 1.3965689900219582
Energy: 1.3953841827094493
Energy: 1.252549501179252
Energy: 1.5418615645983988
Energy: 1.2519000719698357
Energy: 1.1107203161164407
Energy: 1.1110429933478185
Energy: 1.108794033329356
Energy: 1.13559213256834
Energy: 1.1109849098397633
Energy: 1.1095057071658063
Energy: 1.8345988662772141
Energy: 1.1103428238836748
Energy: 1.0537596241255227
Energy: 1.8335553030790386
Energy: 1.2052558365896966
Energy: 1.1938725459484891
Energy: 1.1660144877006882
Energy: 1.1105569329988567
Energy: 1.1328343607116813
Energy: 1.2456217971285815
Energy: 1.1100294250464897
Energy: 1.0022571337628863
Energy: 1.1130334697537496
Energy: 1.1164403870004718
Energy: 1.1136544933336432
Energy: 1.1129832060672256
Energy: 1.1115427936611304
Energy: 1.1328804836982322
Energy: 1.112273576807526
Energy: 1.114148931918144
Energy: 1.1349580906601129
Energy: 1.1106994297214379
Energy: 1.1104598055590493
Energy: 1.1104919791387402
Energy: 1.1100648151469044
Energy: 1.151575595935276
Energy: 1.1093679323741825
Energy: 1.109973329172171
Energy: 1.1500116687305055
Energy: 1.1084999699381983
Energy: 1.1938100619081509
Energy: 1.1237078111372767
Energy: 1.258338593016035
Energy: 1.1933870567334564
Energy: 1.2261072730276792
Energy: 1.2607631897654181
Energy: 1.2651453401272839
Energy: 1.1248984078078694
Energy: 1.1265401881966401
Energy: 1.110474934755998
Energy: 1.1473015921351226
Energy: 1.112899411438197
Energy: 1.218952279489851
Energy: 1.2466853406708331
Energy: 1.2485106396840744
Energy: 1.169873661939271
Energy: 1.2460830596694363
Energy: 1.1689949354602167
Energy: 1.2656052351577665
Energy: 1.127139279211292
Energy: 1.1267631198426256
Energy: 1.1120221919845803
Energy: 1.126643954228396
Energy: 1.1107061216837522
Energy: 1.4976487484390284
Energy: 1.1257533939692712
Energy: 1.1260525850427916
Energy: 1.0882787619000776
Energy: 1.1257857950988908
Energy: 1.0912261901700877
Energy: 1.5156666086392725
Energy: 1.1271327256549761
Energy: 1.126393265057937
Energy: 1.351764554712353
Energy: 1.2598107334714932
Energy: 1.091641413149212
Energy: 1.407926429653047
Energy: 1.0314314765865935
Energy: 1.1071430195993304
Energy: 1.1845951186788268
Energy: 1.0553268018597977
Energy: 1.0901141372501038
Energy: 1.1270962504367839
Energy: 1.1951105032532086
Energy: 1.1952162295203586
Energy: 1.127427349094229
Energy: 1.4102371585550038
Energy: 1.1933742816380177
Energy: 1.1248556540046875
Energy: 1.1033209619943694
Energy: 1.0908805554523004
Energy: 1.1251008723339384
Energy: 1.1170012373793812
Energy: 1.1066791577833577
Energy: 1.1245281749260188
Energy: 1.2516889636330055
Energy: 1.1258177657321515
Energy: 1.12803615453304
Energy: 1.3915099699007756
Energy: 1.1257653869138207
Energy: 1.2454160943480554
Energy: 1.1124810986357778
Energy: 1.0910293842885124
Energy: 1.2200162033794129
Energy: 1.1129461929959257
Energy: 1.1102351131730563
Energy: 1.82949166673603
Energy: 1.1103244784775015
Energy: 1.053826257608812
Energy: 1.2895130913703898
Energy: 1.1102285207701652
Energy: 1.003694182508152

minimum gb energy = 1.0022571337628863 eV
minimum distance =  2.516342662989 Angstroms
sigma value = 33


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

Energy: 1.4039440981842102
Energy: 1.2873836547065987
Energy: 1.688691427052474
Energy: 1.4087318563016906
Energy: 1.2740518055675847
Energy: 1.688452256287964
Energy: 1.2036294771297429
Energy: 1.2329584637710547
Energy: 1.208868169815511
Energy: 1.1479841024134558
Energy: 1.234925837432093
Energy: 1.2095662160509484
Energy: 1.2318308683201489
Energy: 1.2410013443792878
Energy: 1.2386894878407417
Energy: 1.2324458251424766
Energy: 1.235741779592442
Energy: 1.1952107225885946
Energy: 1.2218415664058166
Energy: 1.2009969690632059
Energy: 1.1982741626630726
Energy: 1.229638816062183
Energy: 1.233196849582931
Energy: 1.1962520137298784
Energy: 1.204489004088834
Energy: 1.1895295708145985
Energy: 1.146171952383317
Energy: 1.2042365094952792
Energy: 1.1988134208426364
Energy: 1.2365069921396756
Energy: 1.4877256995237533
Energy: 1.2572367039088488
Energy: 1.256181184659235
Energy: 1.4859710858435111
Energy: 1.2559894026730127
Energy: 1.1888854932339739
Energy: 1.2837064788612704
Energy: 1.1469729646405813
Energy: 1.1482056006594237
Energy: 1.204035930271875
Energy: 1.1536746134378135
Energy: 1.2000083474167853
Energy: 1.379277254813378
Energy: 1.1487275633999374
Energy: 1.1755430580085087
Energy: 1.3833705747307792
Energy: 1.1480266111644235
Energy: 1.1384254419506137
Energy: 1.2824204975415858
Energy: 1.14774470929916
Energy: 1.1476619971449826
Energy: 1.2054014635072785
Energy: 1.1468205449253703
Energy: 1.1477688157926467
Energy: 1.7569438528017916
Energy: 1.1461886703157083
Energy: 1.1464568502688357
Energy: 1.2874500069558035
Energy: 1.1465773427685604
Energy: 1.1464562576885422
Energy: 1.284623445694248
Energy: 1.1899043211651616
Energy: 1.1444455544466352
Energy: 1.2335318018854722
Energy: 1.1529780450710918
Energy: 1.2003964712793804
Energy: 1.497867689143585
Energy: 1.1307628486200763
Energy: 1.207144286332644
Energy: 1.2350349311585636
Energy: 1.1352067418054856
Energy: 1.1349864867602735
Energy: 1.236407647047734
Energy: 1.1310732738036702
Energy: 1.1342681303793025
Energy: 1.2378575244222754
Energy: 1.1299634022728122
Energy: 1.152435593330618
Energy: 1.2295750696053716
Energy: 1.2057072776737698
Energy: 1.2022095118134128
Energy: 1.2324958879231516
Energy: 1.1541778192788084
Energy: 1.2016931308883159
Energy: 1.1783357801846965
Energy: 1.2813791881617802
Energy: 1.2015011383555245
Energy: 1.2935819965068387
Energy: 1.2803028817888256
Energy: 1.2012765946533759
Energy: 1.2330173092238232
Energy: 1.2049242399184534
Energy: 1.2061751175754816
Energy: 1.2739736251764824
Energy: 1.2028907120060022
Energy: 1.200086775987104
Energy: 1.8248035501131894
Energy: 1.2063235915505546
Energy: 1.4081963431837836
Energy: 1.5641031599597481
Energy: 1.2056620482871674
Energy: 1.143785054694939
Energy: 1.2494935525596653
Energy: 1.203128375951183
Energy: 1.2050272050795108
Energy: 1.1949673172015083
Energy: 1.2035894037820427
Energy: 1.1470499141188364
Energy: 1.2339132677459956
Energy: 1.284050406486127
Energy: 1.28364127188625
Energy: 1.1536501696191388
Energy: 1.3202530187992314
Energy: 1.1973639082191192
Energy: 1.1465795759040918
Energy: 1.2851036823625765
Energy: 1.1317606357991812
Energy: 1.1466622367416448
Energy: 1.288285169404369
Energy: 1.1501434813729199
Energy: 1.1472342915894633
Energy: 1.2014734074350146
Energy: 1.1493483084329075
Energy: 1.1463270207323202
Energy: 1.2711475171101894
Energy: 1.147441198741813
Energy: 1.4159529779308029
Energy: 1.2999188401864312
Energy: 1.587959785359949
Energy: 1.4164375820255273
Energy: 1.3004450914347077
Energy: 1.4161174100881646
Energy: 1.2046770078944284
Energy: 1.2333292393188635
Energy: 1.2069601089812811
Energy: 1.1923858715730973
Energy: 1.2333038641341605
Energy: 1.1490809753120785
Energy: 1.4076075096014726
Energy: 1.4850162067963384
Energy: 1.422069486589204
Energy: 1.6728470788418726
Energy: 1.4917323159062754
Energy: 1.1585661955991136
Energy: 1.2492794293197098
Energy: 1.2341461760397918
Energy: 1.2105013054191591
Energy: 1.135781623229961
Energy: 1.2385287129581488
Energy: 1.2116977080861167
Energy: 1.2298490066666043
Energy: 1.2358076602112857
Energy: 1.1929533135060402
Energy: 1.2295490515503982
Energy: 1.2365132636484064
Energy: 1.1929424874276058
Energy: 1.2318054885299845
Energy: 1.1932922746111094
Energy: 1.2377953505920418
Energy: 1.2316972105062767
Energy: 1.233457896640112
Energy: 1.1928888062655123
Energy: 1.2040848883083122
Energy: 1.148722372266499
Energy: 1.1481243722908578
Energy: 1.2044955962294732
Energy: 1.1963466045393198
Energy: 1.2104900814506965
Energy: 1.4830824697022338
Energy: 1.2573182251618389
Energy: 1.259167179906783
Energy: 1.483501515914482
Energy: 1.2557358269857894
Energy: 1.1522710823224294
Energy: 1.284178042441387
Energy: 1.1473335675599718
Energy: 1.148464150833667
Energy: 1.2028974269672252
Energy: 1.1918909064831142
Energy: 1.2040660267726713
Energy: 1.3797764691518046
Energy: 1.188299032511319
Energy: 1.153488245097366
Energy: 1.3837044647847927
Energy: 1.1887330044346849
Energy: 1.136582010414983
Energy: 1.2839271678499513
Energy: 1.1467265118252004
Energy: 1.147212971162782
Energy: 1.2040501979039067
Energy: 1.1466843576790393
Energy: 1.147719535717938
Energy: 1.2859593013430093
Energy: 1.1450181098720995
Energy: 1.1457156344685342
Energy: 1.2326867542199014
Energy: 1.1449820838813085
Energy: 1.143947601628792
Energy: 1.2850106603807148
Energy: 1.1893000456887286
Energy: 1.144884065341126
Energy: 1.232385817766257
Energy: 1.151096380885934
Energy: 1.1489077908090868
Energy: 1.5008965919876422
Energy: 1.130842626287975
Energy: 1.1357108433657828
Energy: 1.2350753561999634
Energy: 1.135138798555568
Energy: 1.2139708071269246
Energy: 1.2066125346038277
Energy: 1.1567867406067112
Energy: 1.1555156776682283
Energy: 1.206741920681132
Energy: 1.1609964710773626
Energy: 1.155318718130897
Energy: 1.2288685165060036
Energy: 1.150330757947359
Energy: 1.2047636679339477
Energy: 1.2314242704420866
Energy: 1.191122642999969
Energy: 1.2026606100576382
Energy: 1.1678184954774116
Energy: 1.2399861596866075
Energy: 1.19791040183332
Energy: 1.1680413566200833
Energy: 1.2393540415539213
Energy: 1.197670214907998
Energy: 1.2311426907812195
Energy: 1.2039920949522587
Energy: 1.2044645274664874
Energy: 1.2769636340114603
Energy: 1.203258981280511
Energy: 1.196257189498423
Energy: 1.8055695990599623
Energy: 1.2042163165415487
Energy: 1.2052951328342378
Energy: 1.2548183698669826
Energy: 1.2039818769138175
Energy: 1.1424200700531213
Energy: 1.2485725151021914
Energy: 1.2039690243526167
Energy: 1.203118577941754
Energy: 1.1977823486209669
Energy: 1.2043907154268432
Energy: 1.146477883450106
Energy: 1.2302760213257427
Energy: 1.2561905533273283
Energy: 1.12964334404682
Energy: 1.1541596637840719
Energy: 1.2534511803388833
Energy: 1.1965356939764227
Energy: 1.1466713721207098
Energy: 1.3162716242172898
Energy: 1.1338092623772942
Energy: 1.1470622715753411
Energy: 1.316910346991928
Energy: 1.1335540509740407
Energy: 1.1468080533737688
Energy: 1.2074199333960176
Energy: 1.148284083982725
Energy: 1.1474063586131578
Energy: 1.2770443656521722
Energy: 1.1478192024212182
Energy: 1.1853248980872888
Energy: 1.3051329246760381
Energy: 1.1862038432714248
Energy: 1.185817765655019
Energy: 1.2936365476332063
Energy: 1.1851303824320252
Energy: 1.204222248298676
Energy: 1.232400710321295
Energy: 1.2040675802863967
Energy: 1.1532610709594484
Energy: 1.2329314807839313
Energy: 1.1493825522434191
Energy: 2.2771819250552907
Energy: 1.4992888964948343
Energy: 1.154237952295057
Energy: 1.1514664158811276
Energy: 1.4830973142853445
Energy: 1.1547384210104328

minimum gb energy = 1.12964334404682 eV
minimum distance =  2.5153516370672 Angstroms
sigma value = 67


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

Energy: 1.614289332938294
Energy: 1.2183123351860303
Energy: 1.0510735118274068
Energy: 1.6180356049090834
Energy: 1.2192824980355272
Energy: 1.0511160019858456
Energy: 1.1889958824232612
Energy: 0.9762103714341662
Energy: 0.9739582692240922
Energy: 0.9751226807310238
Energy: 1.1847544212082313
Energy: 0.9738776109638656
Energy: 1.2323993257355284
Energy: 0.8890665139990831
Energy: 0.9767068582649853
Energy: 1.2221863198619023
Energy: 0.8889838372723672
Energy: 0.9770652413137964
Energy: 1.21177598354204
Energy: 0.9746208791277995
Energy: 0.9751399120398014
Energy: 1.2096678991304928
Energy: 0.9742360636045442
Energy: 0.9753094884041054
Energy: 1.1943630721398728
Energy: 0.9761711410541615
Energy: 0.9748011061655673
Energy: 1.1963817787879156
Energy: 1.143369382098828
Energy: 1.146139097421045
Energy: 1.2030244649143562
Energy: 0.9686301857827343
Energy: 1.1570452064229388
Energy: 1.2018840245882412
Energy: 0.9683101242269001
Energy: 1.2129994024693131
Energy: 1.4516900084790656
Energy: 1.1386127108859418
Energy: 0.9761993192420451
Energy: 0.8906611234927275
Energy: 1.187855106870607
Energy: 0.974892032523942

minimum gb energy = 0.8889838372723672 eV
minimum distance =  2.5774553801531 Angstroms
sigma value = 3


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

Energy: 2.1943353095943983
Energy: 1.6552083670359843
Energy: 1.4733659260690681
Energy: 1.4554545350461578
Energy: 1.6581200272790362
Energy: 1.4735365497081268
Energy: 1.241458800682206
Energy: 1.2580748958509491
Energy: 1.1789807415957219
Energy: 1.2737429594993308
Energy: 1.3550442658465343
Energy: 1.1758434930670354
Energy: 1.184542693184292
Energy: 1.1657637720193108
Energy: 1.165807195457123
Energy: 1.178287014992503
Energy: 1.3192591455675238
Energy: 1.180215765867626
Energy: 1.1840142471010844
Energy: 1.1771998592295083
Energy: 1.1773418710334238
Energy: 1.175791340320177
Energy: 1.287132260773281
Energy: 1.1773389132934813
Energy: 1.1783361509192685
Energy: 1.216282810346304
Energy: 1.1773022020245687
Energy: 1.176710543357938
Energy: 1.3452013154162243
Energy: 1.177380826304009
Energy: 1.2297678485021408
Energy: 1.215424060405849
Energy: 1.2161721811224973
Energy: 1.3690719264161781
Energy: 1.3450536150185057
Energy: 1.2699752900322423
Energy: 1.2273762830422632
Energy: 1.3418816080815616
Energy: 1.259511361331808
Energy: 1.3616937145243477
Energy: 1.344726645483257
Energy: 1.2177705916888097
Energy: 2.018031192129793
Energy: 1.6656359329380692
Energy: 1.407694444769042
Energy: 1.1744688649170012
Energy: 1.6639410117267976
Energy: 1.429188071080537
Energy: 1.2301055395990153
Energy: 1.3418001612785189
Energy: 1.2176177002442243
Energy: 1.3455019860884616
Energy: 1.3562987889768061
Energy: 1.2840768018239965
Energy: 1.790570900753045
Energy: 1.1783827892319776
Energy: 1.2268458956206305
Energy: 1.734661719855469
Energy: 1.1763404076030834
Energy: 1.3837933044492399
Energy: 1.3900294012188028
Energy: 1.3008720779139737
Energy: 1.2682153365605775
Energy: 1.392316329175785
Energy: 1.3331101006976669
Energy: 1.2655102574188533
Energy: 1.33517668262285
Energy: 1.3625379556040926
Energy: 1.2549506952937344
Energy: 1.3357401636062785
Energy: 1.3132131481522582
Energy: 1.2143442953744417
Energy: 1.3308466238379884
Energy: 1.1801823653029027
Energy: 1.1816277022222053
Energy: 1.3314359527383164
Energy: 1.1797780237247202
Energy: 1.1820201136966346
Energy: 1.3365290255788158
Energy: 1.1788644534091204
Energy: 1.1789210852644605
Energy: 1.3393705812402985
Energy: 1.184135325157744
Energy: 1.1792918990780012
Energy: 1.3357472924932756
Energy: 1.1810768446774973
Energy: 1.180490064638111
Energy: 1.3041849924128066
Energy: 1.180239163324684
Energy: 1.1836691869364884
Energy: 1.3640754333282248
Energy: 1.2138275415643993
Energy: 1.1783565659027646
Energy: 1.3418615395067088
Energy: 1.2201398862138724
Energy: 1.1770847701631273
Energy: 1.6895623497970997
Energy: 1.161902769327472
Energy: 1.320027595558371
Energy: 1.688823565457572
Energy: 1.1615761556935806
Energy: 1.4515132858551993
Energy: 1.4015285578181764
Energy: 1.3386312589618683
Energy: 1.1782161874757917
Energy: 1.3940428117946322
Energy: 1.328749562064681
Energy: 1.1783810072272176
Energy: 1.2959089417456435
Energy: 1.216413041301678
Energy: 1.2189661344399614
Energy: 1.3376079303151946
Energy: 1.405880452660128
Energy: 1.1768644656435903
Energy: 1.3446858058400026
Energy: 1.2697230059167388
Energy: 1.2247595042051755
Energy: 1.3294262593012762
Energy: 1.2607565070781566
Energy: 1.2175072654785926
Energy: 1.3677356695704097
Energy: 1.2150851357436092
Energy: 1.1784991294578497
Energy: 1.3626486541497014
Energy: 1.21396590205912
Energy: 1.17850651220071
Energy: 1.2864695777523067
Energy: 1.3817163696975983
Energy: 1.2945644374885006
Energy: 1.287423708505328
Energy: 1.22765134319976
Energy: 1.1526940099692322
Energy: 1.2842740074445522
Energy: 1.294228670875781
Energy: 1.1513584218142878
Energy: 1.2874288391807585
Energy: 1.3363641030867777
Energy: 1.1504331513508264
Energy: 1.318979522011693
Energy: 1.1852926674312034
Energy: 1.184959677215887
Energy: 1.3206225169954835
Energy: 1.1814156039114134
Energy: 1.3221716125424448
Energy: 1.4822987603873063
Energy: 1.3553506466099348
Energy: 1.1507771431517764
Energy: 1.3638532732873672
Energy: 1.3390678203490336
Energy: 1.1501138953440542
Energy: 1.3374066244102059
Energy: 1.4297237710070414
Energy: 1.333204596774399
Energy: 1.327834977603516
Energy: 1.4611324319094674
Energy: 1.2380876175051576
Energy: 1.1787771926800759
Energy: 1.251125052225423
Energy: 1.331701554843446
Energy: 1.3290405501838694
Energy: 1.3091838780996397
Energy: 1.1503061808465196
Energy: 1.4967151833937218
Energy: 1.415983228342188
Energy: 1.1510062913326211
Energy: 1.4603001900672443
Energy: 1.3299043172010847
Energy: 1.1508203728448083
Energy: 1.2038926312156193
Energy: 1.166510134452163
Energy: 1.1672901949552994
Energy: 1.2041281183889874
Energy: 1.1691061763163322
Energy: 1.2098873324282546
Energy: 1.1967907797394062
Energy: 1.1512639901788995
Energy: 1.1517418787608857
Energy: 1.2000436435877244
Energy: 1.3331730829877588
Energy: 1.1509620132353426
Energy: 1.1991324417614717
Energy: 1.3333694578224706
Energy: 1.155289417334993
Energy: 1.1998955822278936
Energy: 1.2614620015051583
Energy: 1.154035562125023
Energy: 1.4491826337727411
Energy: 1.2897158759346081
Energy: 1.2181235723023973
Energy: 1.3928274855472242
Energy: 1.2972404910510957
Energy: 1.2655828245112175
Energy: 1.3481228228283042
Energy: 1.4126641398028486
Energy: 1.4127889903061432
Energy: 1.3439903567881448
Energy: 1.414046981291928
Energy: 1.289335417557542
Energy: 1.2179332638778153
Energy: 1.2901419970925403
Energy: 1.2933232236487051
Energy: 1.3417161880564346
Energy: 1.2913577484521601
Energy: 1.2698524608330186
Energy: 1.4734115191029544
Energy: 1.3043111437815458
Energy: 1.2683969855171657
Energy: 1.4211719038222066
Energy: 1.3325814102807427
Energy: 1.2667094106603738
Energy: 1.4763503446327348
Energy: 1.177337762784987
Energy: 1.2194691525388741
Energy: 1.4770632039389786
Energy: 1.1768375476738842
Energy: 1.3837728035038857
Energy: 1.3446507884937668
Energy: 1.2895799483875097
Energy: 1.2142987465420751
Energy: 1.3409091827805966
Energy: 1.2937633581207186
Energy: 1.2670527680245278
Energy: 1.3316299189952927
Energy: 1.1783998062844339
Energy: 1.1793171811279415
Energy: 1.2983994955188725
Energy: 1.1777153497383956
Energy: 1.4177972507617553
Energy: 1.3428098261079535
Energy: 1.17907641750053
Energy: 1.1792180987253629
Energy: 1.3454542116234993
Energy: 1.1792946438134224
Energy: 1.1783855373408427
Energy: 1.333277182801398
Energy: 1.186042409299766
Energy: 1.1856708196166637
Energy: 1.3331394024312635
Energy: 1.1833751586089734
Energy: 1.1862685033984603
Energy: 1.3409361268737656
Energy: 1.2350696039956786
Energy: 1.1803123183361612
Energy: 1.341987275779853
Energy: 1.2931926732805377
Energy: 1.1805777919330438
Energy: 1.372598547769054
Energy: 1.254017180556432
Energy: 1.159969296939483
Energy: 1.387877106613109
Energy: 1.2819173471961423
Energy: 1.2837838236451664
Energy: 1.612856105491686
Energy: 1.162170477091165
Energy: 1.2478928964324651
Energy: 1.68173778603738
Energy: 1.3112955927228696
Energy: 1.39135138309085
Energy: 1.315077977865001
Energy: 1.2633999934168048
Energy: 1.1783631986715206
Energy: 1.3467844532136881
Energy: 1.2824369044412043
Energy: 1.1796235760657723
Energy: 1.8786446587147334
Energy: 1.2816294150577703
Energy: 1.2383043231198496
Energy: 1.2455195324452486
Energy: 1.2838970301959458
Energy: 1.2705457448872666
Energy: 1.3178501116560528
Energy: 1.2640394001228143
Energy: 1.2166401486135634
Energy: 1.3479823640227302
Energy: 1.2704844817941932
Energy: 1.179813597662611
Energy: 1.3185861895886923
Energy: 1.1781323599876385
Energy: 1.1786485252836896
Energy: 1.3166666957984097
Energy: 1.2654496218633657
Energy: 1.2837820354099092
Energy: 1.2626608824586125
Energy: 1.255226574386488
Energy: 1.1749100546925273
Energy: 1.2629214392260266
Energy: 1.2689590958526829
Energy: 1.1747525745319858
Energy: 1.2808589259052323
Energy: 1.1767253553565757
Energy: 1.1784982775752677
Energy: 1.2826661248440725
Energy: 1.2616234299271751
Energy: 1.2628089478960316
Energy: 1.3444913401639416
Energy: 1.1785023074127818
Energy: 1.1771436083526394
Energy: 1.3335130684934315
Energy: 1.291271562354148
Energy: 1.2643640219726962
Energy: 1.2307576645742302
Energy: 1.2567646166739599
Energy: 1.1743882115375617
Energy: 1.3013155007852373
Energy: 1.3549201068228216
Energy: 1.1751276415911218

minimum gb energy = 1.1501138953440542 eV
minimum distance =  2.52780960169934 Angstroms
sigma value = 81


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

Energy: 2.1990639165043855
Energy: 1.4198544158843287
Energy: 1.2017529863183107
Energy: 1.2019450022182583
Energy: 1.4198707291280528
Energy: 1.2704088037351942
Energy: 1.273126930257688
Energy: 1.2373149929223288
Energy: 1.2547279121173693
Energy: 1.2414221538310564
Energy: 1.236119132472483
Energy: 1.2510589508396388
Energy: 1.4412607018940151
Energy: 1.2138954107939526
Energy: 1.2504439952045887
Energy: 1.2411993451448182
Energy: 1.212809713436684
Energy: 1.357586287828241
Energy: 1.2664463601369988
Energy: 1.2151268623774487
Energy: 1.2756566303731287
Energy: 1.2740778734783402
Energy: 1.2137203380836397
Energy: 1.2669844216132686
Energy: 1.2751675704195218
Energy: 1.3361411992790828
Energy: 1.3369203415320525
Energy: 1.280363814098774
Energy: 1.3717589751742145
Energy: 1.27555250391763
Energy: 1.4138123811987162
Energy: 1.3525303015121042
Energy: 1.3760474262820601
Energy: 1.4143267403554332
Energy: 1.353498592500419
Energy: 1.2710878767561586
Energy: 1.2903408853190979
Energy: 1.2839919216925528
Energy: 1.3441055226451348
Energy: 1.3051485872985134
Energy: 1.280131283027234
Energy: 1.3441683214347286
Energy: 1.2253765661659444
Energy: 1.4373201868221328
Energy: 1.5120864198208412
Energy: 1.286345020870682
Energy: 1.436267108939241
Energy: 1.334143030235832
Energy: 1.2950406237598175
Energy: 1.2945593536926887
Energy: 1.3547039328530486
Energy: 1.3014663883084803
Energy: 1.297807023000533
Energy: 1.3791208496919751
Energy: 1.41911047864169
Energy: 1.1633437611551212
Energy: 1.1642948654785004
Energy: 1.4117476490542347
Energy: 1.160624690489616
Energy: 1.1642966127562786
Energy: 1.3167347869638057
Energy: 1.142612040323711
Energy: 1.1431781333668676
Energy: 1.3170533505947382
Energy: 1.1421831710790264
Energy: 1.2533897428955838
Energy: 1.2125228935386032
Energy: 1.3029574453956212
Energy: 1.363529783400231
Energy: 1.2129112115730645
Energy: 1.3052327725109456
Energy: 1.369816285768186
Energy: 1.2126587935077282
Energy: 1.277431454574281
Energy: 1.2763786243134074
Energy: 1.2128517372304701
Energy: 1.2786529264538158
Energy: 1.2672289507310395
Energy: 1.3096207258650554
Energy: 1.2781635572325485
Energy: 1.2785355980725739
Energy: 1.3062344475249341
Energy: 1.2780750315363572
Energy: 1.3107718859979074
Energy: 1.2931987643595944
Energy: 1.280798789818509
Energy: 1.4673218179622711
Energy: 1.3511163662919072
Energy: 1.2772493800438962
Energy: 1.2762123758883224
Energy: 1.2812936374504504
Energy: 1.2602614533295853
Energy: 1.3597350477600887
Energy: 1.2823160522142643
Energy: 1.3026271034071497
Energy: 1.3399692586910366
Energy: 1.5024436552678622
Energy: 1.263882973714672
Energy: 1.3244363428220145
Energy: 1.5026784537621425
Energy: 1.286194970911649
Energy: 1.3229634442253837
Energy: 1.2435475665385796
Energy: 1.241019492620415
Energy: 1.3614965135211907
Energy: 1.3012252426116686
Energy: 1.3066430444113344
Energy: 1.363412709791617
Energy: 1.1439604907536036
Energy: 1.3358298366924803
Energy: 1.146564599185984
Energy: 1.1422223056406666
Energy: 1.3181463072700974
Energy: 1.1466963900540585
Energy: 1.1467056119676455
Energy: 1.3379705362005092
Energy: 1.1599527619037333
Energy: 1.1434946067787102
Energy: 1.3212907406193173
Energy: 1.1583220395523972
Energy: 1.243420777395342
Energy: 1.3171631218427542
Energy: 1.359637697774861
Energy: 1.300393157452324
Energy: 1.3019534338416254
Energy: 1.3605001966372552
Energy: 1.2794385065089988
Energy: 1.4329422714902962
Energy: 1.5419111230780587
Energy: 1.2721150090518554
Energy: 1.4341330529074403
Energy: 1.3540387048487834
Energy: 1.2668874559988623
Energy: 1.3260293327705581
Energy: 1.2766063398785552
Energy: 1.269014896235074
Energy: 1.3035014439414303
Energy: 1.2730213972059645
Energy: 1.2809475410314037
Energy: 1.285477193826403
Energy: 1.280711775954809
Energy: 1.2814790402095255
Energy: 1.366405787016018
Energy: 1.3299248444582799
Energy: 1.412925945606161
Energy: 1.3465653325643232
Energy: 1.3484342133821547
Energy: 1.3130110619359294
Energy: 1.2823427938666005
Energy: 1.3855421745916074
Energy: 1.2243674656389594
Energy: 1.5643983430494754
Energy: 1.3437543466155297
Energy: 1.2857038146852315
Energy: 1.5637216724292815
Energy: 1.3468417848161056
Energy: 1.2242060423661245
Energy: 1.3015131003839102
Energy: 1.3614565796266722
Energy: 1.2247389394159138
Energy: 1.302204456560705
Energy: 1.3652414378926387
Energy: 1.4136637281722375
Energy: 1.1421615465497215
Energy: 1.3851047630173212
Energy: 1.315058792268378
Energy: 1.1422836249537764
Energy: 1.25347648465896
Energy: 1.3159676088642382
Energy: 1.1653667981168225
Energy: 1.165995478322635
Energy: 1.301784198139711
Energy: 1.1654194224023777
Energy: 1.1656963567773895
Energy: 1.3022723106796843
Energy: 1.3559659311566057
Energy: 1.3521645420323514
Energy: 1.3027106683935112
Energy: 1.2963827038710296
Energy: 1.3718473234175685
Energy: 1.2138945153313585
Energy: 1.377008042145487
Energy: 1.374290009477678
Energy: 1.2139144663421637
Energy: 1.3668093154195233
Energy: 1.33412009023975
Energy: 1.3067436410360935
Energy: 1.2687531002071295
Energy: 1.268609180128686
Energy: 1.3038567188944616
Energy: 1.2708785737002812
Energy: 1.268709704989503
Energy: 1.3148149515442895
Energy: 1.281191324917409
Energy: 1.2787810796541834
Energy: 1.321474701828076
Energy: 1.280790947821523
Energy: 1.3332339458742262
Energy: 1.2887202264009134
Energy: 1.270752320825013
Energy: 1.2678254386189607
Energy: 1.2901179799621054
Energy: 1.3121715246554464
Energy: 1.3443300022119684
Energy: 1.2791779738725255
Energy: 1.2533166101930133
Energy: 1.350079084781362
Energy: 1.2842828313110581
Energy: 1.2850115892098586
Energy: 1.3434108243298108
Energy: 1.4262602003123714
Energy: 1.2854604339609668
Energy: 1.2866870382498403
Energy: 1.3470553113944885
Energy: 1.2858370590235886
Energy: 1.4858750809430235
Energy: 1.274617967973937
Energy: 1.2341052042867402
Energy: 1.254536399922556
Energy: 1.2404398712101643
Energy: 1.2333815849287915
Energy: 1.2500483810272591
Energy: 1.2178198309232546
Energy: 1.3694522855039517
Energy: 1.2028721650957515
Energy: 1.166927104028364
Energy: 1.369119520362656
Energy: 1.2722930509190764

minimum gb energy = 1.1421615465497215 eV
minimum distance =  2.55216350507276 Angstroms
sigma value = 43


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

Energy: 2.2780334470858574
Energy: 1.5619196682718064
Energy: 1.4499338915515099
Energy: 1.5361800024695818
Energy: 1.5273275035257965
Energy: 1.304479710205837
Energy: 1.4345855855876521
Energy: 1.305284070445809
Energy: 1.3088452907482973
Energy: 1.317901238681389
Energy: 1.3050209391405647
Energy: 1.2272981785380945
Energy: 1.2650952197539902
Energy: 1.2009395140268604
Energy: 1.2007729009291879
Energy: 1.3807596882369373
Energy: 1.1757271698109562
Energy: 1.2359183381004673
Energy: 1.2286401300328278
Energy: 1.1974903812872821
Energy: 1.2287244226241345
Energy: 1.2287502864385071
Energy: 1.3966464409735424
Energy: 1.2289253408669945
Energy: 1.2270983554594177
Energy: 1.3221915013521113
Energy: 1.2811879876906354
Energy: 1.2274471646587835
Energy: 1.2274547240095548
Energy: 1.22713749502381
Energy: 1.2280981340756458
Energy: 1.226229874568559
Energy: 1.2260805701192932
Energy: 1.2265670620928253
Energy: 1.2263542133126728
Energy: 1.1913819140198834
Energy: 1.3029673432499431
Energy: 1.2261501910830277
Energy: 1.2269950442030089
Energy: 1.3031324859248992
Energy: 1.2265573192520873
Energy: 1.22695594632073
Energy: 1.3815748800656675
Energy: 1.228281673742986
Energy: 1.2283449761688128
Energy: 1.2795690203927734
Energy: 1.2284961347189323
Energy: 1.280311706896522
Energy: 1.3038186570066956
Energy: 1.2277407887995948
Energy: 1.22742779711994
Energy: 1.3037814017900857
Energy: 1.3126419322736695
Energy: 1.226861444961434
Energy: 1.553428078031912
Energy: 1.2290277599712005
Energy: 1.2290615861878686
Energy: 1.5550067180360285
Energy: 1.2285178681174505
Energy: 1.3059439494411282
Energy: 1.189284183837768
Energy: 1.1847999465182382
Energy: 1.280031234499033
Energy: 1.304446340328588
Energy: 1.309570526325436
Energy: 1.3074434966175847
Energy: 1.4030856055258039
Energy: 1.311831360301058
Energy: 1.2282669121305447
Energy: 1.1945108156761486
Energy: 1.3881306901703936
Energy: 1.2280606811338812
Energy: 1.403009215434163
Energy: 1.3174829523473097
Energy: 1.2556959255455236
Energy: 1.3655423548133254
Energy: 1.3368376292703021
Energy: 1.2537898685182673
Energy: 1.1899561852019822
Energy: 1.3179794701127272
Energy: 1.2289663772909527
Energy: 1.3047210366891195
Energy: 1.3173880609199882
Energy: 1.3094585663580736
Energy: 1.1906132223563568
Energy: 1.3115591694174826
Energy: 1.188934298265736
Energy: 1.1906894785420947
Energy: 1.2494112943068008
Energy: 1.188740848021222
Energy: 1.189083256850699
Energy: 1.189299082444043
Energy: 1.1885810544429027
Energy: 1.189356858842564
Energy: 1.3156204137692942
Energy: 1.1882462036527337
Energy: 1.1911313158088115
Energy: 1.190056085330354
Energy: 1.1908213663365659
Energy: 1.1910944926494607
Energy: 1.2511370576732586
Energy: 1.1909318453299125
Energy: 1.3016263522922609
Energy: 1.1900147626802278
Energy: 1.2868559531077155
Energy: 1.3893970573897814
Energy: 1.3898075947950572
Energy: 1.190109677716729
Energy: 1.3096617265047596
Energy: 1.398334502744847
Energy: 1.1901284231947833
Energy: 1.3105759625912947
Energy: 1.3894559005074494
Energy: 1.2232700928716334
Energy: 1.3101684113175862
Energy: 1.397764717184972
Energy: 1.2739012506324763
Energy: 1.3026623476965538
Energy: 1.3889576513613624
Energy: 1.2236844637722986
Energy: 1.6286504816335747
Energy: 1.2769512137701855
Energy: 1.2867874516395186
Energy: 1.3883986992942592
Energy: 1.3953082430850288
Energy: 1.1895232358193302
Energy: 1.496108511976035
Energy: 1.2503135189509522
Energy: 1.3235548866480977
Energy: 1.4952815828427706
Energy: 1.2065470893977182
Energy: 1.3687102703692904
Energy: 1.387267230416475
Energy: 1.1885558812354067
Energy: 1.1899709451377136
Energy: 1.387497947378235
Energy: 1.3886607073186699
Energy: 1.18913039582838
Energy: 1.3709265476630998
Energy: 1.2940197218434901
Energy: 1.191745219125258
Energy: 1.3722270464171558
Energy: 1.1901718512221269
Energy: 1.190706849543005
Energy: 1.3908467602299412
Energy: 1.1911904396418256
Energy: 1.190943974304752
Energy: 1.391373706935733
Energy: 1.1911297555419562
Energy: 1.191322659828657
Energy: 1.3167431678985564
Energy: 1.1899735196008099
Energy: 1.1899265454509722
Energy: 1.317074545044016
Energy: 1.190589733295009
Energy: 1.190055260268879
Energy: 1.316076943011825
Energy: 1.3034276385824073
Energy: 1.1907422147658575
Energy: 1.316321233699261
Energy: 1.3069030149564242
Energy: 1.1906161544852263
Energy: 1.3099800427211175
Energy: 1.307958676040095
Energy: 1.2277662046239763
Energy: 1.3116226503052324
Energy: 1.3035211325162386
Energy: 1.2269879503882994
Energy: 1.3941014565975443
Energy: 1.2224247315021026
Energy: 1.223408297775163
Energy: 1.393769252633895
Energy: 1.2778893525322803
Energy: 1.2249211261660546
Energy: 1.4388160335270526
Energy: 1.3041710295598032
Energy: 1.3087425589394681
Energy: 1.3117526623454292
Energy: 1.3044693121514355
Energy: 1.2269795174172147
Energy: 1.1990123835835969
Energy: 1.3031689525600054
Energy: 1.3600634881285545
Energy: 1.212959191711058
Energy: 1.5414408629398455
Energy: 1.3599105276273964

minimum gb energy = 1.1757271698109562 eV
minimum distance =  2.50372980000479 Angstroms
sigma value = 57


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

Energy: 1.6973057595413599
Energy: 1.3959161912019813
Energy: 1.3124827814401794
Energy: 1.5920655513250914
Energy: 1.4000036315863358
Energy: 1.434541983979166
Energy: 1.3813940743163378
Energy: 1.3520088388578604
Energy: 1.305355272798311
Energy: 1.3263240693421252
Energy: 1.3587909326146808
Energy: 1.3888847365063826
Energy: 1.4592708823344065
Energy: 1.2077535647637656
Energy: 1.2081680437999456
Energy: 1.33708735794678
Energy: 1.375721641756945
Energy: 1.2073587592460182
Energy: 1.387861847001006
Energy: 1.2066561307342516
Energy: 1.205820259559144
Energy: 1.3957391060108086
Energy: 1.4983501487514943
Energy: 1.384993577178467
Energy: 1.3869103420826494
Energy: 1.3688430865671861
Energy: 1.312329040197027
Energy: 1.3931086930167733
Energy: 1.4063163423097953
Energy: 1.3670235473192873
Energy: 1.4162052253570692
Energy: 1.3545881830887747
Energy: 1.355433059209692
Energy: 1.5060678335396325
Energy: 1.370019560599077
Energy: 1.3548936802473888
Energy: 1.4448019331490398
Energy: 1.3684321996683264
Energy: 1.368868262058835
Energy: 1.447061495008164
Energy: 1.3682998532865034
Energy: 1.3687398781098263
Energy: 1.528794605185644
Energy: 1.3685091186454912
Energy: 1.3742665983537687
Energy: 1.5210779983703422
Energy: 1.3702550841360377
Energy: 1.3757951429433912
Energy: 1.4159173864693135
Energy: 1.375172570495093
Energy: 1.3757310797683264
Energy: 1.4159251884554467
Energy: 1.4684999276081565
Energy: 1.3736181824841742
Energy: 1.4185622771677342
Energy: 1.2903194044174602
Energy: 1.2906039520410497
Energy: 1.4187381682198414
Energy: 1.289589093683121
Energy: 1.290296539193503
Energy: 1.6210369378789464
Energy: 1.27994277818953
Energy: 1.4132083187495075
Energy: 1.5238891750076238
Energy: 1.3728983063202027
Energy: 1.3890006775775359
Energy: 1.130609901213394
Energy: 1.3708077622643537
Energy: 1.370763304558053
Energy: 1.129785546055572
Energy: 1.435022427185994
Energy: 1.2888832284735439
Energy: 1.130041157446613
Energy: 1.3725453873817073
Energy: 1.28855077853842
Energy: 1.1305620793094269
Energy: 1.3773229388387112
Energy: 1.2884002349615173
Energy: 1.5989988255011292
Energy: 1.4722453031295457
Energy: 1.3726129135612746
Energy: 1.4132352796058971
Energy: 1.435290047726968
Energy: 1.3999862129318945
Energy: 1.3949782215523847
Energy: 1.3200837332351505
Energy: 1.3207034502324613
Energy: 1.4564646962519874
Energy: 1.207082024319487
Energy: 1.3214329294692109
Energy: 1.395005065212766
Energy: 1.3647559066745762
Energy: 1.3659914675822245
Energy: 1.3955015307266356
Energy: 1.5140607307300955
Energy: 1.3234533832195956
Energy: 1.4337052799202754
Energy: 1.3625546110344455
Energy: 1.3644269893644798
Energy: 1.4175417161222001
Energy: 1.3656075641262402
Energy: 1.3622976296355858
Energy: 1.5565240545670276
Energy: 1.3704401834579123
Energy: 1.3562173133808029
Energy: 1.5072510744009262
Energy: 1.369479367807818
Energy: 1.3548040579597918
Energy: 1.3979718394522997
Energy: 1.3676145181573893
Energy: 1.368376053173401
Energy: 1.4023358388157459
Energy: 1.36927115850212
Energy: 1.3683250003541105
Energy: 1.3982260251391634
Energy: 1.3770898700417453
Energy: 1.3817567535409052
Energy: 1.400443015846495
Energy: 1.3182818754985641
Energy: 1.3778401498382742
Energy: 1.416147196006947
Energy: 1.3013289425508412
Energy: 1.3811683844044982
Energy: 1.422698733583741
Energy: 1.4758649881914392
Energy: 1.2118845258457243
Energy: 1.5186712505757225
Energy: 1.4355002785987268
Energy: 1.3421774798238033
Energy: 1.4950171814851707
Energy: 1.2912820533495089
Energy: 1.345523795853612
Energy: 1.5920098734583572
Energy: 1.3521648456193924
Energy: 1.3033402680201989
Energy: 1.3246381962562905
Energy: 1.3550562238064994
Energy: 1.2123261714606643
Energy: 1.2356416876637923
Energy: 1.2764910054944871
Energy: 1.2886224813715101
Energy: 1.1307508162007212
Energy: 1.3507854637048566
Energy: 1.409682588227361

minimum gb energy = 1.129785546055572 eV
minimum distance =  2.51457242528319 Angstroms
sigma value = 17


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

Energy: 1.1506474883861573
Energy: 1.6483800271192195
Energy: 1.6549657990212714
Energy: 1.426662562685918
Energy: 1.6510011213984321
Energy: 1.3279976212395268
Energy: 1.2787489961769127
Energy: 1.4181053848060445
Energy: 1.42014858475423
Energy: 1.353515337743626
Energy: 1.6060512806786953
Energy: 1.3309546723866414
Energy: 1.6938614340528846
Energy: 1.24069844568676
Energy: 1.2406758504421411
Energy: 1.5985021031381113
Energy: 1.1229094262517738
Energy: 1.2412860764029319
Energy: 1.4044535978657067
Energy: 1.2397190981204538
Energy: 1.2401609219248926
Energy: 1.405032556420285
Energy: 1.1225965762520196
Energy: 1.4055016892284729
Energy: 1.2182455553606486
Energy: 1.1880173485338876
Energy: 1.186083491309693
Energy: 1.218659366235961
Energy: 1.2949938075379144
Energy: 1.1858600471259906
Energy: 1.5024137999639464
Energy: 1.1811649127642223
Energy: 1.1809937106599624
Energy: 1.1279146592157363
Energy: 1.1815911779806174
Energy: 1.1258306705592709
Energy: 1.2243869246264152
Energy: 1.1893120732171147
Energy: 1.188966524619955
Energy: 1.2231869887680988
Energy: 1.1897963655703303
Energy: 1.1818294149957622
Energy: 1.1872325068639253
Energy: 1.2608905482763828
Energy: 1.2614947734650386
Energy: 1.1871826574024136
Energy: 1.2085077928174874
Energy: 1.2647231959896683
Energy: 1.193273103917025
Energy: 1.2077529177002135
Energy: 1.2082690706838433
Energy: 1.189013250103779
Energy: 1.4370879452729852
Energy: 1.1895875446655184
Energy: 1.186838637480435
Energy: 1.1838681799010515
Energy: 1.1878414648981672
Energy: 1.1868458276104703
Energy: 1.1905788506148063
Energy: 1.187786609124753
Energy: 1.5688741584240993
Energy: 1.2179844842398244
Energy: 1.1861535128628253
Energy: 1.3782128489082275
Energy: 1.2185700321450295
Energy: 1.1885003818525885
Energy: 1.189973924623223
Energy: 1.417350734448766
Energy: 1.4065818460245547
Energy: 1.1828642507715814
Energy: 1.41768765925768
Energy: 1.4048038796395652
Energy: 1.2128161867690053
Energy: 1.4193914587937544
Energy: 1.4086167853615748
Energy: 1.2132060293396791
Energy: 1.4192190563588634
Energy: 1.409448884486804
Energy: 1.4187267017315242
Energy: 1.2179991569890236
Energy: 1.2181894159060442
Energy: 1.4201852104550434
Energy: 1.2177108598258772
Energy: 1.3228218870485622
Energy: 1.32579922027952
Energy: 1.213197773558926
Energy: 1.213357310295488
Energy: 1.326566065642138
Energy: 1.4115500796218636
Energy: 1.4873121818980322
Energy: 1.4465815318571915
Energy: 1.1966960396135355
Energy: 1.3280601983116216
Energy: 1.4145842116359133
Energy: 1.1858860265288922
Energy: 1.2180758845603576
Energy: 1.15284330901507
Energy: 1.4194193044109356
Energy: 1.5884914435152213
Energy: 1.1258456521514715
Energy: 1.4064812120758987
Energy: 1.5738056333456565

minimum gb energy = 1.1225965762520196 eV
minimum distance =  2.51070739574269 Angstroms
sigma value = 17


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

Energy: 1.4189121576728603
Energy: 1.4540746765578634
Energy: 1.3576859919819777
Energy: 1.4478556705785084
Energy: 1.4650467809036825
Energy: 1.3942127576668717
Energy: 1.3828229544940442
Energy: 1.4567677989876557
Energy: 1.2162222151492528
Energy: 1.4675887709706754
Energy: 1.458670825290413
Energy: 1.3687299916963063
Energy: 1.6578429036414013
Energy: 1.1281338130949516
Energy: 1.2908645533923944
Energy: 1.5158019867440773
Energy: 1.0816482693045544
Energy: 1.2920504003376012
Energy: 1.4478471998392137
Energy: 1.2960391597935703
Energy: 1.290097011483811
Energy: 1.445844086479747
Energy: 1.1301829311719258
Energy: 1.2956958821587463
Energy: 1.2356090445102819
Energy: 1.2138559247163785
Energy: 1.214401258357081
Energy: 1.2385117667665773
Energy: 1.316406702635106
Energy: 1.2127874431042476
Energy: 1.0916194247858664
Energy: 1.2146144999567012
Energy: 1.1297211875497573
Energy: 1.1428231888172846
Energy: 1.2146578123491063
Energy: 1.1308625485953867
Energy: 1.2447900777272831
Energy: 1.2217066991248937
Energy: 1.2201301175725443
Energy: 1.2441059146630626
Energy: 1.2216399684917452
Energy: 1.207449758204181
Energy: 1.1083338190147416
Energy: 1.081767398265828
Energy: 1.1107980833330398
Energy: 1.18316947004476
Energy: 1.080463597688863
Energy: 1.1071701478372173
Energy: 1.1092798303097537
Energy: 1.1106774436148388
Energy: 1.1071609215191671
Energy: 1.1117284514461936
Energy: 1.1122865032137272
Energy: 1.1076212731558495
Energy: 1.115290133823397
Energy: 1.144368894138049
Energy: 1.1539723521790817
Energy: 1.114829326635741
Energy: 1.2127524407255645
Energy: 1.1501863604393792
Energy: 1.3199087360171877
Energy: 1.109709488418748
Energy: 1.1458655564370037
Energy: 1.3324483987142834
Energy: 1.109093866195568
Energy: 1.1489051277813895
Energy: 1.1153826579909711
Energy: 1.1102427267011792
Energy: 1.1105526819600842
Energy: 1.1146632595205457
Energy: 1.1096379084062755
Energy: 1.109355675661196
Energy: 1.115104743844232
Energy: 1.1071203597555597
Energy: 1.1081315562802807
Energy: 1.110959691280305
Energy: 1.1829033443212078
Energy: 1.1095836592424517
Energy: 1.2284523400199758
Energy: 1.1102392856054466
Energy: 1.20747461910316
Energy: 1.2226733006119948
Energy: 1.249212479756352
Energy: 1.215068228089209
Energy: 1.2134551042144825
Energy: 1.1090830670104113
Energy: 1.1093903958789888
Energy: 1.2141856688171742
Energy: 1.3915545019178734
Energy: 1.2144155176951867
Energy: 1.532560754122883
Energy: 1.3754870121573763
Energy: 1.2146117193842771
Energy: 1.3741506477774699
Energy: 1.1104163035380321
Energy: 1.2152459922682912
Energy: 1.1100934488077383
Energy: 1.4581010251101822
Energy: 1.4578663409097783
Energy: 1.1049633098733245
Energy: 1.4587937830493822
Energy: 1.2158211395533591
Energy: 1.2392626217392149
Energy: 1.4595238234475794
Energy: 1.4590052703824026
Energy: 1.2408848064006799
Energy: 1.4567607945600378
Energy: 1.2089224923278867
Energy: 1.6170183953807915
Energy: 1.3866488335015201
Energy: 1.371870040639341
Energy: 1.6198040011850792
Energy: 1.453039044550375
Energy: 1.2140480868891217
Energy: 1.6575544369238047
Energy: 1.400708148379006
Energy: 1.2867687314220655
Energy: 1.6335229407110265
Energy: 1.3496920112147608
Energy: 1.4848694834431189
Energy: 1.6781975685269357
Energy: 1.457990699780587
Energy: 1.387324436116799
Energy: 1.6174724577686315
Energy: 1.5907298143201023
Energy: 1.4565132257792923
Energy: 1.1289726389672003
Energy: 1.457630440245006
Energy: 1.6154845047381794
Energy: 1.1316318498443674
Energy: 1.5125827980849273
Energy: 1.3007607254906428
Energy: 1.3992369332385026
Energy: 1.4568838822669703
Energy: 1.4567890878728886
Energy: 1.4008313902975753
Energy: 1.4582532035452305
Energy: 1.3728234883509958
Energy: 1.6706121986855793
Energy: 1.3018110323656273
Energy: 1.2146305667288182
Energy: 1.6225328571469733
Energy: 1.2653187744090575
Energy: 1.4574855296128508
Energy: 1.4423953767572946
Energy: 1.1285783851391358
Energy: 1.290516580112109
Energy: 1.4427056877170812
Energy: 1.1279134050525064
Energy: 1.2926212661949759
Energy: 1.3918320526005261
Energy: 1.2144519478079763
Energy: 1.2121215507621703
Energy: 1.3937723374000819
Energy: 1.3898190533660075
Energy: 1.214728923561992
Energy: 1.0914287127883586
Energy: 1.2137059064989901
Energy: 1.2135568933476484
Energy: 1.1296772743155234
Energy: 1.389269444774924
Energy: 1.1296618008570747
Energy: 1.0862989200611042
Energy: 1.2150187457742314
Energy: 1.214756799651692
Energy: 1.0855069364754026
Energy: 1.2156988768246018
Energy: 1.2149549617150397
Energy: 1.1121131917656286
Energy: 1.2013565957521097
Energy: 1.1089787171058514
Energy: 1.3286119679883104
Energy: 1.1354516679535005
Energy: 1.108651356973248
Energy: 1.1063021417917223
Energy: 1.081896569058877
Energy: 1.1086933037342417
Energy: 1.1064382166184947
Energy: 1.0804069323169803
Energy: 1.1073248328990475
Energy: 1.1108015837722893
Energy: 1.1447246725200892
Energy: 1.2291579753971709
Energy: 1.110743389585451
Energy: 1.1075766273756422
Energy: 1.1085166237017416
Energy: 1.1448967189840928
Energy: 1.2327613800977475
Energy: 1.2314673720084857
Energy: 1.2368775462556973
Energy: 1.1120415343332328
Energy: 1.2301291111170065
Energy: 1.1505657976876837
Energy: 1.1103872130854604
Energy: 1.1098276630748076
Energy: 1.1509202236649383
Energy: 1.1099673001385089
Energy: 1.1088807610470204
Energy: 1.111375071442011
Energy: 1.1336596744765748
Energy: 1.1106482701248102
Energy: 1.3739672637750566
Energy: 1.1095748314391938
Energy: 1.1144112275670985
Energy: 1.2197158079156414
Energy: 1.1109438652622912
Energy: 1.1103478092546988
Energy: 1.2197223918428577
Energy: 1.1134351347370202
Energy: 1.1995739297401784
Energy: 1.2139590062641583
Energy: 1.1069752827763562
Energy: 1.2130011396816336
Energy: 1.2139912335595016
Energy: 1.1455750093685484
Energy: 1.2141848857454127
Energy: 1.540589746237081
Energy: 1.2157158439225273
Energy: 1.2142209468131389
Energy: 1.3173366693088837
Energy: 1.1097600920986048
Energy: 1.2143118222369407
Energy: 1.238318795237702
Energy: 1.4582368914558668
Energy: 1.4577499289596503
Energy: 1.3225674846749997
Energy: 1.4580998987669396
Energy: 1.2143807816567957
Energy: 1.1052698954383018
Energy: 1.4581673627764344
Energy: 1.2089150392346095
Energy: 1.2111053021745464
Energy: 1.659251068271884
Energy: 1.20881355155847
Energy: 1.5523185654312484
Energy: 1.4605322388451132
Energy: 1.4587093839393668
Energy: 1.5546484171320254
Energy: 1.4578658040995829
Energy: 1.3724014417609343
Energy: 1.5997869120618753
Energy: 1.2165475430207346
Energy: 1.451884957676996
Energy: 1.5994045975986015
Energy: 1.2157566968996634
Energy: 1.4537904676437252
Energy: 1.669841512424443
Energy: 1.3165313352272725
Energy: 1.2080601063959693
Energy: 1.6178060145894262
Energy: 1.3171917021769308
Energy: 1.4562324050470319
Energy: 1.400822871600668
Energy: 1.4561571430304106
Energy: 1.4574994428834738
Energy: 1.4014778440095585
Energy: 1.462192376486044
Energy: 1.372861580206424

minimum gb energy = 1.0804069323169803 eV
minimum distance =  2.50115682866791 Angstroms
sigma value = 57


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

Energy: 1.062265103082174
Energy: 1.6431757401790437
Energy: 1.3589292466916405
Energy: 1.4294687960309163
Energy: 1.9434780600109756
Energy: 1.443841168292438
Energy: 1.4458614355467778
Energy: 1.4501180055610388
Energy: 1.2237011270526033
Energy: 1.495596521930521
Energy: 1.4573382138557032
Energy: 1.2226222575123293
Energy: 1.6062436704634644
Energy: 1.1372698700190806
Energy: 1.1367063131991388
Energy: 1.4977106337706063
Energy: 1.0605064559162216
Energy: 1.3078309627841347
Energy: 1.4609291140613874
Energy: 1.1385751144261227
Energy: 1.3017736425829405
Energy: 1.463421724861573
Energy: 1.0577011742973454
Energy: 1.3151845291968827
Energy: 1.1651620115765715
Energy: 1.222403262020554
Energy: 1.2235991969397264
Energy: 1.1652894871511477
Energy: 1.227183419728873
Energy: 1.2294155221192407
Energy: 1.032585418187217
Energy: 1.2226617791253336
Energy: 1.1394529029740912
Energy: 1.3180737260792073
Energy: 1.222809767401784
Energy: 1.138586347447095
Energy: 1.4710445180309257
Energy: 1.2331504349527844
Energy: 1.2296158702948794
Energy: 1.4714038301275443
Energy: 1.236379655131905
Energy: 1.2022074591817018
Energy: 1.4117401235602733
Energy: 1.0516820783494272
Energy: 1.052192936337657
Energy: 1.4216411985654314
Energy: 1.051371827209013
Energy: 1.0973195357691432
Energy: 1.0980822723829138
Energy: 1.0987480374265794
Energy: 1.0982833464502397
Energy: 1.1014452483462907
Energy: 1.0312998662431074
Energy: 1.0991380457189988
Energy: 1.0657202015531535
Energy: 1.0462513818954573
Energy: 1.0431994157032332
Energy: 1.0662025309417238
Energy: 1.205629839218602
Energy: 1.0429071982191285
Energy: 1.058012086565617
Energy: 1.0419915709570997
Energy: 1.0416454520781122
Energy: 1.0264998093599311
Energy: 1.0420381946101127
Energy: 1.0428451535109848
Energy: 1.1179347112947289
Energy: 1.0459269720025244
Energy: 1.0454717436314314
Energy: 1.1187561797780512
Energy: 1.047629838453402
Energy: 1.0429728584159408
Energy: 1.0726042196114582
Energy: 1.1619398909590526
Energy: 1.1631156942586023
Energy: 1.0808316621062544
Energy: 1.2202664946005246
Energy: 1.1647936259463267
Energy: 1.0518475259922593
Energy: 1.2549547419851508
Energy: 1.0436450039079792
Energy: 1.055851114884082
Energy: 1.0726877248500526
Energy: 1.044129790553549
Energy: 1.0407589305753817
Energy: 1.2876499471588612
Energy: 1.288431235811785
Energy: 1.0403937081471428
Energy: 1.2918318148806145
Energy: 1.2725282121325074
Energy: 1.2875608276774098
Energy: 1.1084771120372316
Energy: 1.1052589984092787
Energy: 1.0717530582272348
Energy: 1.1082562647029237
Energy: 1.166856337971596
Energy: 1.0498343273939752
Energy: 1.0971683049527785
Energy: 1.096487350048445
Energy: 1.051914556766265
Energy: 1.0973739058432568
Energy: 1.0965353060838081
Energy: 1.04892642725018
Energy: 1.0967004605763604
Energy: 1.0961044327156757
Energy: 1.0513517643751904
Energy: 1.1764330156807024
Energy: 1.0962233535760968
Energy: 1.2285133773204566
Energy: 1.1015132491144335
Energy: 1.2314028349916042
Energy: 1.2289103150050165
Energy: 1.3205861811803805
Energy: 1.2300117628787808
Energy: 1.5204620115910452
Energy: 1.1023072736294848
Energy: 1.0986082765828087
Energy: 1.5219779261916164
Energy: 1.1011219170061963
Energy: 1.3215086879981257
Energy: 1.5108784470171204
Energy: 1.233003416750506
Energy: 1.2350954013371516
Energy: 1.3233540912465989
Energy: 1.382965777596135
Energy: 1.2294747084876427
Energy: 1.0444044297493131
Energy: 1.449470622906882
Energy: 1.2271880018932086
Energy: 1.0467842382355435
Energy: 1.4505150621411151
Energy: 1.227401180776119
Energy: 1.2036352434482032
Energy: 1.4491005844774518
Energy: 1.4496139694883199
Energy: 1.1997724813046382
Energy: 1.4540253024274963
Energy: 1.4486942767930184
Energy: 1.5790853105857992
Energy: 1.2344005939382456
Energy: 1.2288228590207821
Energy: 1.5813606810042828
Energy: 1.3981603904251478
Energy: 1.2297747595578803
Energy: 1.6355775589619348
Energy: 1.2299650056646034
Energy: 1.226485909690399
Energy: 1.4873906864525213
Energy: 1.2291021233849833
Energy: 1.393234723236481
Energy: 1.4542111088307768
Energy: 1.4538398386836529
Energy: 1.4488658636156295
Energy: 1.5829221856180453
Energy: 1.4635160720993081
Energy: 1.2322460675564018
Energy: 1.059459104260834
Energy: 1.4488521520128148
Energy: 1.3143533639322227
Energy: 1.1369551570652692
Energy: 1.4880144585224095
Energy: 1.3139313422230692

minimum gb energy = 1.0264998093599311 eV
minimum distance =  2.50243375879671 Angstroms
sigma value = 43


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

Energy: 1.103933155230575
Energy: 1.3696993048748454
Energy: 1.2959716156675252
Energy: 1.2381267523340613
Energy: 1.5079364795607693
Energy: 1.327423117667039
Energy: 1.3405379332399043
Energy: 1.1694377977972583
Energy: 1.169162386796771
Energy: 1.2905784989062035
Energy: 1.1699126128728068
Energy: 1.1699155839481528
Energy: 1.4576481896968303
Energy: 1.0160809775515696
Energy: 1.0913166141147703
Energy: 1.3713609986943076
Energy: 0.9428972891940469
Energy: 1.091709987843883
Energy: 1.2885517916513578
Energy: 1.0875454057245562
Energy: 1.0921261554566053
Energy: 1.1696523241020351
Energy: 1.018474265776618
Energy: 1.2409210713745498
Energy: 1.254258430166982
Energy: 1.1687696938695198
Energy: 1.1689230762088996
Energy: 1.2560843188445598
Energy: 1.1712432116983664
Energy: 1.1699720337380362
Energy: 0.9215534005461491
Energy: 1.1651176570746922
Energy: 1.0927326978121743
Energy: 1.1797054216080782
Energy: 1.1654924985931325
Energy: 1.053647285076515
Energy: 1.30860533852686
Energy: 1.169020964587528
Energy: 1.1691978592549894
Energy: 1.0675780085050441
Energy: 1.169048316368106
Energy: 1.1853041628964662
Energy: 1.306538574410244
Energy: 0.9873385711199215
Energy: 1.012135954294055
Energy: 1.0485102711493361
Energy: 1.0908381638361635
Energy: 1.0001387456421247
Energy: 1.049528785322003
Energy: 1.0183606456616143
Energy: 1.0486790165678523
Energy: 1.0492106932477487
Energy: 0.9435903043825118
Energy: 1.0483715198568486
Energy: 1.008035098063614
Energy: 0.9742450564873694
Energy: 0.9732355036655985
Energy: 1.0247813966555068
Energy: 1.0500333834736955
Energy: 1.0174701629120402
Energy: 0.9059912067807626
Energy: 0.9730706862063971
Energy: 0.9731021485861353
Energy: 1.0944424185828072
Energy: 0.9733256337120466
Energy: 1.0308521476902557
Energy: 1.1259427967813775
Energy: 0.9799624535753614
Energy: 0.9799895377672345
Energy: 1.1255059661300173
Energy: 0.9836313593495696
Energy: 1.1073010673318555
Energy: 1.2169091632674465
Energy: 1.1185659540950867
Energy: 1.155724902481704
Energy: 1.124651257547655
Energy: 1.0830653393377547
Energy: 0.9308058910546632
Energy: 0.9324703441320751
Energy: 1.037473434766403
Energy: 0.9302320121309422
Energy: 0.93623544257174
Energy: 0.9084732820632068
Energy: 0.9308614694695004
Energy: 0.990369543008685
Energy: 1.1047693188850731
Energy: 1.1032072281535181
Energy: 0.9900666394564728
Energy: 1.0371362122620775
Energy: 1.077567815556194
Energy: 0.9154502586072287
Energy: 0.9092794125244865
Energy: 0.9081315390918041
Energy: 0.9123690771218864
Energy: 0.908989563308029
Energy: 1.0770819607595656
Energy: 0.934046580743074
Energy: 0.9115355243009622
Energy: 0.9104163086426554
Energy: 0.9340740803985478
Energy: 0.9117167486692591
Energy: 1.1073254548331342
Energy: 0.9992409479915254
Energy: 1.083116920107347
Energy: 1.1076174233510163
Energy: 1.0000602163150996
Energy: 1.073225371994728
Energy: 1.0988294127221039
Energy: 0.914200154556835
Energy: 0.9969503911871626
Energy: 0.9129049511687016
Energy: 0.9152702533307826
Energy: 1.0260070378523667
Energy: 0.9133055995728316
Energy: 1.0823033451605444
Energy: 1.0998220927545692
Energy: 1.0964479462080516
Energy: 1.08209323457465
Energy: 1.1001021771967505
Energy: 1.1211978680917465
Energy: 0.9749864905626906
Energy: 0.9341248890693684
Energy: 0.9331933069614274
Energy: 0.9755544620117517
Energy: 0.9342235444505363
Energy: 1.1364683759782044
Energy: 0.9182450954202138
Energy: 0.9288647542245481
Energy: 0.9280838445955669
Energy: 0.9118724492610156
Energy: 0.9291993108834943
Energy: 1.0847428304990798
Energy: 0.9114562479917376
Energy: 0.9295084518745972
Energy: 1.039182631974768
Energy: 0.9112454819340671
Energy: 1.0725704905738902
Energy: 1.0841814498978068
Energy: 0.9776955512937361
Energy: 0.9797354450473956
Energy: 0.9729905420431
Energy: 0.9763723905899898
Energy: 0.9282772569601522
Energy: 0.973707874147553
Energy: 1.2547739712009154
Energy: 1.1238864962732662
Energy: 1.2031414922887385
Energy: 1.2588288507035927
Energy: 0.9950100631712006
Energy: 0.9732643083062559
Energy: 1.3040761392975664
Energy: 1.0507379297499628
Energy: 1.050541342211392
Energy: 1.1221819429302842
Energy: 1.0485137792414454
Energy: 1.0181854317405221
Energy: 0.9123516814021291
Energy: 1.0479105420488681
Energy: 1.0477814263558998
Energy: 0.985889041880479
Energy: 1.0475765870322196
Energy: 0.9739200199650768
Energy: 0.9738871941082481
Energy: 1.0476280602343886
Energy: 1.048092239982634
Energy: 0.973837373584163
Energy: 1.0473155894235697
Energy: 1.064248792541906
Energy: 1.172871020971312
Energy: 1.05242914170476
Energy: 1.1696719974828194
Energy: 1.1697687605992821
Energy: 0.971177366518009
Energy: 1.168937130975452
Energy: 1.3772555139602345
Energy: 0.9851305450555349
Energy: 1.046687010263438
Energy: 1.1689279601067593
Energy: 1.010521127567246
Energy: 1.046597444013155
Energy: 1.3830688958299744
Energy: 1.1703596643519658
Energy: 1.1691605867747181
Energy: 1.2888198724103899
Energy: 1.1719563458688596
Energy: 1.1752098874424275
Energy: 0.9370127397407434
Energy: 1.3457988495603244
Energy: 1.1625247486577204
Energy: 1.2160454846589066
Energy: 1.345541187579714
Energy: 1.0937347237292845
Energy: 1.285733612517184
Energy: 1.3500544060135664
Energy: 1.3490702728996466
Energy: 1.2858636249231727
Energy: 1.3505537818267714
Energy: 1.34900121082094
Energy: 1.3832073239316018
Energy: 1.16806880868864
Energy: 1.1667288294953415
Energy: 1.171164155901284
Energy: 1.1196579153381814
Energy: 1.3459236688044254
Energy: 1.4751944155559968
Energy: 1.0556823613997808
Energy: 1.1672614772842662
Energy: 1.3711916783706362
Energy: 1.0423417247010491
Energy: 1.167223724376634
Energy: 1.4309375870393846
Energy: 1.34989020097698
Energy: 1.3493698746572977
Energy: 1.3862061244457267
Energy: 1.3523833007816757
Energy: 1.169379154122157

minimum gb energy = 0.9059912067807626 eV
minimum distance =  2.49627398507617 Angstroms
sigma value = 81


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

Energy: 0.08341189114122205
Energy: 0.08437928597685937
Energy: 0.08378078918832549
Energy: 0.08393114434151032
Energy: 0.0850096815019238
Energy: 0.08416856534355517
Energy: 0.1885732354771345
Energy: 0.08468822093566263
Energy: 0.08503479666744392
Energy: 0.18839048169862826
Energy: 0.08472066282996776
Energy: 0.0847694040241775
Energy: 0.18839087330400744
Energy: 0.08424999995053485
Energy: 0.08379214102872208
Energy: 0.18816444010179267
Energy: 0.0841436872398591
Energy: 0.19118893548680102
Energy: 0.08537023351506026
Energy: 0.08428467485342046
Energy: 0.08386021885456874
Energy: 0.085557536248554
Energy: 0.08412172471312244
Energy: 0.1920541031502696
Energy: 0.19087794137209105
Energy: 0.18826150355550716
Energy: 0.18836633281948903
Energy: 0.190761721990598
Energy: 0.18842364963534114
Energy: 0.1883144785367759
Energy: 0.0858264023562244
Energy: 0.08441872453171685
Energy: 0.08405333294284466
Energy: 0.08404596356643773
Energy: 0.0846125837921821
Energy: 0.0840739316827853
Energy: 0.18838844272150648
Energy: 0.08466833899912253
Energy: 0.0845349151040713
Energy: 0.18827588359750558
Energy: 0.08457841161867674
Energy: 0.08467342556867694
Energy: 0.18837118474227937
Energy: 0.0840652677871565
Energy: 0.08388291691091548
Energy: 0.18817238525940216
Energy: 0.08385425886251922
Energy: 0.19013562225091746
Energy: 0.08701666405901379
Energy: 0.08371896991664829
Energy: 0.19009963742410438
Energy: 0.08572998701370779
Energy: 0.08387007112763789
Energy: 0.190141666282633
Energy: 0.08395141630915992
Energy: 0.18827358473574607
Energy: 0.18819052658554497
Energy: 0.0842798347688045
Energy: 0.18833820629679401
Energy: 0.1882457194973916

minimum gb energy = 0.08341189114122205 eV
minimum distance =  2.64747308166755 Angstroms
sigma value = 3


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

Energy: 1.7831276781830783
Energy: 1.3526475806551308
Energy: 1.1949495728617483
Energy: 1.1968874831478027
Energy: 1.30206821182656
Energy: 1.1970037123831516
Energy: 1.23045643388629
Energy: 1.2357093780894548
Energy: 1.1537832861609019
Energy: 1.1810489481733941
Energy: 1.2352909084130324
Energy: 1.2598742890837393
Energy: 1.2372585842670794
Energy: 1.1504104292341484
Energy: 1.1025881375943882
Energy: 1.2373850387689573
Energy: 1.1249112785249167
Energy: 1.2299669516079021
Energy: 1.2403773001972942
Energy: 1.1239174345828145
Energy: 1.1906001842560836
Energy: 1.240495842173068
Energy: 1.0998560979394811
Energy: 1.1088899305859954
Energy: 1.1071011460919011
Energy: 1.2354307312257071
Energy: 1.2363595199451243
Energy: 1.107154614932576
Energy: 1.2355152478010354
Energy: 1.1722465753630777
Energy: 0.9943424074944002
Energy: 1.1074614715114754
Energy: 1.2504158327032107
Energy: 1.0826907766003
Energy: 1.1071347684596902
Energy: 1.1425037003808827
Energy: 1.249327571385175
Energy: 1.1110891627291033
Energy: 1.1111867561432553
Energy: 1.247929616057169
Energy: 1.1106273609448671
Energy: 1.283482360798434
Energy: 1.2376298544310096
Energy: 1.0777809957662898
Energy: 1.1296997179907198
Energy: 1.2393704402125632
Energy: 1.0146853571016292
Energy: 1.1295232394404662
Energy: 1.006672908609792
Energy: 1.0381112160877468
Energy: 1.1324469347792647
Energy: 1.0067611419180515
Energy: 0.9973302507318372
Energy: 1.132892907756317
Energy: 0.9993223579265303
Energy: 1.1102651664282166
Energy: 1.110382212568087
Energy: 0.9996633345173845
Energy: 1.1114348821895756
Energy: 1.1103174621956433
Energy: 0.9300373625663424
Energy: 0.9314921388821326
Energy: 1.1721699420082328
Energy: 1.0120151158584927
Energy: 0.9317403623556275
Energy: 1.0412128817409758
Energy: 0.9992213629566136
Energy: 1.0421119360399418
Energy: 1.0420360149827979
Energy: 0.9998100394473773
Energy: 0.9318254481975801
Energy: 1.0014347799430205
Energy: 0.9998690415069865
Energy: 0.9816403282906112
Energy: 0.9999332578865143
Energy: 0.9999968818789947
Energy: 0.9818762344401465
Energy: 1.0011069602410048
Energy: 0.8988523520232122
Energy: 0.9324007278723241
Energy: 1.0807186756173124
Energy: 0.9812012774113816
Energy: 0.9320337609383934
Energy: 1.0818320531769456
Energy: 0.8990583115864296
Energy: 0.9314451955108487
Energy: 0.9313832681545663
Energy: 0.8988487318068694
Energy: 0.9322102633917273
Energy: 0.9312414617099392
Energy: 0.8992797547447382
Energy: 1.0172285982690346
Energy: 1.1946010311045263
Energy: 0.9845408858712527
Energy: 0.9003348397662447
Energy: 1.1909471509197644
Energy: 0.8984867740879485
Energy: 1.0167911036585584
Energy: 1.1749105481704425
Energy: 0.8989072568414676
Energy: 0.9476958205827496
Energy: 0.9001725063161197
Energy: 0.8990549780126954
Energy: 1.0246541580548756
Energy: 0.9005403604973452
Energy: 0.8998338206272194
Energy: 0.9843391862310626
Energy: 0.8992026559282539
Energy: 1.0556678815080318
Energy: 0.9001438463363726
Energy: 1.182495315723958
Energy: 0.9852414710291297
Energy: 0.8998956718676077
Energy: 1.1813440682630372
Energy: 0.9001103710153333
Energy: 0.8989137065457566
Energy: 0.8991811365980263
Energy: 0.9002250764874821
Energy: 0.8998704964597696
Energy: 0.8990740678548584
Energy: 0.8996169002364687
Energy: 1.1071092505292828
Energy: 1.1904720334420371
Energy: 0.8993561993246008
Energy: 0.8990617379041228
Energy: 1.1924972912785716
Energy: 0.9343879705738871
Energy: 1.0215900790965458
Energy: 0.9318123634066092
Energy: 0.9319411188856915
Energy: 0.8992780329368891
Energy: 0.9315962320601213
Energy: 0.931511187709198
Energy: 1.2076001668201148
Energy: 1.2081708552060928
Energy: 0.9320634538496835
Energy: 1.0813514079097173
Energy: 1.2107225034266949
Energy: 0.9063964087995184
Energy: 1.0029961028805545
Energy: 1.0010839463707737
Energy: 0.989371837911237
Energy: 1.0014740600761463
Energy: 1.0030517582104577
Energy: 0.9318525207280808
Energy: 0.9998730480407021
Energy: 1.0002969101281625
Energy: 0.9319746172547989
Energy: 0.9997036484710639
Energy: 1.0004856497653458
Energy: 0.931999279132266
Energy: 1.0368799667806055
Energy: 1.08125912362937
Energy: 0.9321002019847444
Energy: 1.044360401065846
Energy: 1.1721596717832885
Energy: 1.1112308726591038
Energy: 1.0827345940620858
Energy: 1.0801765555487897
Energy: 1.1109937309585194
Energy: 0.9550678327287316
Energy: 1.1094282999677956
Energy: 1.0414880885590165
Energy: 1.000841109694421
Energy: 1.001864695427447
Energy: 1.041661477848361
Energy: 1.0007884845698987
Energy: 1.0023327794153953
Energy: 0.9522971029146985
Energy: 1.2368399513529813
Energy: 1.1976545833368015
Energy: 1.0415533858362145
Energy: 1.2363839987750938
Energy: 1.0775397396604656
Energy: 1.1106697421557352
Energy: 1.2383887521989705
Energy: 1.184625640681577
Energy: 1.1108604050255837
Energy: 1.2433078277946712
Energy: 1.2868075930745502
Energy: 1.1169045499925931
Energy: 1.1187735753638872
Energy: 1.1934792562964434
Energy: 1.1168445022126938
Energy: 1.0459446941722161
Energy: 1.1927422263752585
Energy: 1.2262379800238283
Energy: 0.9526243854166736
Energy: 1.0428888827989353
Energy: 1.2278652495792595
Energy: 1.0389289249999267
Energy: 1.1777309164419951
Energy: 1.1650197539625906
Energy: 1.2379386484930284
Energy: 1.2376910782070911
Energy: 1.1647999218652265
Energy: 1.2386009164209024
Energy: 1.1745196995319436

minimum gb energy = 0.8984867740879485 eV
minimum distance =  2.49559639178015 Angstroms
sigma value = 67


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

Energy: 1.7364932858600566
Energy: 1.4295176812687258
Energy: 1.3187808480154244
Energy: 1.2125616178756187
Energy: 1.4287717075759678
Energy: 1.3173067516516883
Energy: 1.4339080106459952
Energy: 1.480114102196096
Energy: 1.4792959728415513
Energy: 1.4350287246796873
Energy: 1.3521054139003876
Energy: 1.2542024479846858
Energy: 1.4370113587083513
Energy: 1.280595277284966
Energy: 1.3404211160872304
Energy: 1.4369450953852254
Energy: 1.3120345335221713
Energy: 1.3403225120815963
Energy: 1.3410268514309533
Energy: 1.5486709485110581
Energy: 1.151703300799046
Energy: 1.34320207411806
Energy: 1.1523479820055942
Energy: 1.433412616057548
Energy: 1.3440640790798688
Energy: 1.3509485396258594
Energy: 1.3493432879645202
Energy: 1.3441214199920026
Energy: 1.3518097045012687
Energy: 1.3316590221634492
Energy: 1.054810243489429
Energy: 1.370293346241703
Energy: 1.3099421614520939
Energy: 1.3235280293210387
Energy: 1.3701880473145427
Energy: 1.3366690207571958
Energy: 1.3394424706677006
Energy: 1.1486702930386574
Energy: 1.1495956412962038
Energy: 1.3313835930199083
Energy: 1.1482217420612348
Energy: 1.294926361083262
Energy: 1.345683230328951
Energy: 1.181722987649635
Energy: 1.1905667216974378
Energy: 1.3478513148775897
Energy: 1.183605897117187
Energy: 1.3426630562289492
Energy: 1.0663389655875395
Energy: 1.1981945213908014
Energy: 1.2011529125681064
Energy: 1.06589053144208
Energy: 1.1487392223564237
Energy: 1.199910949540469
Energy: 1.0568706609880494
Energy: 1.1503115264702666
Energy: 1.1507603481413946
Energy: 1.0573913849204053
Energy: 1.1518983464973918
Energy: 1.1497687133681924
Energy: 1.058079462823486
Energy: 1.1453127295751824
Energy: 1.2624579867580419
Energy: 1.186732661868939
Energy: 1.1454866555242402
Energy: 1.262908859858701
Energy: 1.0569193924672613
Energy: 1.2601011063239784
Energy: 1.2456501082811344
Energy: 1.0555525708746822
Energy: 1.1289237308588804
Energy: 1.0553828884990053
Energy: 1.055810091384192
Energy: 1.1835471683587893
Energy: 1.0549693950853247
Energy: 1.0559353074418398
Energy: 1.1843998138412837
Energy: 1.055848973455714
Energy: 1.1470183140876726
Energy: 1.0574849415543537
Energy: 1.367664205271591
Energy: 1.185727646727769
Energy: 1.0560139324805093
Energy: 1.366094298109246
Energy: 1.0583625870199702
Energy: 1.0561738459916818
Energy: 1.0560902289045528
Energy: 1.0573677905288348
Energy: 1.0582372014389285
Energy: 1.0562059228270655
Energy: 1.056233920018398
Energy: 1.1803796713217205
Energy: 1.3969142248036095
Energy: 1.0575815749372868
Energy: 1.057336259511905
Energy: 1.259198542383386
Energy: 1.1536227275439634
Energy: 1.1607651445778655
Energy: 1.1690117189713696
Energy: 1.1538726462644004
Energy: 1.162787831726674
Energy: 1.1500557421301492
Energy: 1.148088982954199
Energy: 1.2554951206902043
Energy: 1.2581025017648066
Energy: 1.1478281850788683
Energy: 1.059620970087144
Energy: 1.1518541456872358
Energy: 1.031919115195661
Energy: 1.1810954118775892
Energy: 1.1383162006111078
Energy: 1.2112321194628417
Energy: 1.2360391038095548
Energy: 1.267673568103681
Energy: 1.1482873102037123
Energy: 1.2545689213219084
Energy: 1.2530552290587298
Energy: 1.1484580561884057
Energy: 1.3370589117685245
Energy: 1.3434872652570415
Energy: 1.360947183693223
Energy: 1.3401450370500432
Energy: 1.076065585211795
Energy: 1.149966035730611
Energy: 1.076162217588839
Energy: 1.4644267469694252
Energy: 1.4370304344406102
Energy: 1.202840795870917
Energy: 1.4642333882597163
Energy: 1.4367159749211624
Energy: 1.2022863145479226
Energy: 1.269381339077765
Energy: 1.474726644898799
Energy: 1.2513170555698183
Energy: 1.2550027058748439
Energy: 1.4656939834415763
Energy: 1.3363407301343815
Energy: 1.2558166598644416

minimum gb energy = 1.031919115195661 eV
minimum distance =  2.49777968458571 Angstroms
sigma value = 33


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

Energy: 1.9541799726762177
Energy: 1.7093674847161282
Energy: 1.7911564127248751
Energy: 1.3088287272793078
Energy: 1.709738303654315
Energy: 1.3059251353829153
Energy: 1.3247163097247243
Energy: 1.6163419194706805
Energy: 1.6136089173921475
Energy: 1.3240926392620553
Energy: 1.6172060212661639
Energy: 1.3385162868851017
Energy: 1.489893789627704
Energy: 1.4993553796699108
Energy: 1.5773891415801042
Energy: 1.4909652870367982
Energy: 1.4036660003127244
Energy: 1.580904606873528
Energy: 1.3334505891848987
Energy: 1.5000545607709825
Energy: 1.334610076019549
Energy: 1.336268636601279
Energy: 1.3485008761436228
Energy: 1.3454959261089818
Energy: 1.2553998070967163
Energy: 1.611902205363512
Energy: 1.6121835249082268
Energy: 1.2555072572051496
Energy: 1.6098749442051035
Energy: 1.3367073118568202
Energy: 1.1435889171000437
Energy: 1.2611704641679455
Energy: 1.2611445872696114
Energy: 1.3106734536901024
Energy: 1.1699146834460048
Energy: 1.4753482773381041
Energy: 1.3285776671861766
Energy: 1.1455499848178623
Energy: 1.371306735837706
Energy: 1.3289441265621982
Energy: 1.145914918463505
Energy: 1.2869626257827924
Energy: 1.3350946590183963
Energy: 1.3193428027284695
Energy: 1.3344039682425255
Energy: 1.3330478718595316
Energy: 1.3196133033462787
Energy: 1.3330625392578221
Energy: 1.1458779538803183
Energy: 1.4464043461648735
Energy: 1.4482707347443478
Energy: 1.145659117757214
Energy: 1.1475103496351549
Energy: 1.4477905183689899
Energy: 1.198403905328753
Energy: 1.144511807138945
Energy: 1.1441657097189528
Energy: 1.204542081553702
Energy: 1.1499869130290348
Energy: 1.1454101103305179
Energy: 1.2709764683557827
Energy: 1.1473739263669094
Energy: 1.4645870590080494
Energy: 1.3116108587829636
Energy: 1.1473401460063548
Energy: 1.4653922898489657
Energy: 1.1445461205204048
Energy: 1.2458155304794247
Energy: 1.1460449265494312
Energy: 1.144590377151054
Energy: 1.3361795070468752
Energy: 1.1461976755717
Energy: 1.1448263233987288
Energy: 1.1910000622119872
Energy: 1.146278446411243
Energy: 1.1448925948671882
Energy: 1.2380198129134365
Energy: 1.146291904794443
Energy: 1.1014201122394889
Energy: 1.2713558568629524
Energy: 1.2416217841398889
Energy: 1.2629616685427827
Energy: 1.274733615851092
Energy: 1.2691210277571865
Energy: 1.100259715374364
Energy: 1.3296048303427261
Energy: 1.331900177137627
Energy: 1.0997534279543293
Energy: 1.3301132975711474
Energy: 1.3325651683562527
Energy: 1.3567304035179655
Energy: 1.4064139228829002
Energy: 1.528764935174851
Energy: 1.1706212005014383
Energy: 1.189585177308359
Energy: 1.3756511791447106
Energy: 1.491816007539397
Energy: 1.3662188819149674
Energy: 1.4745825557620935
Energy: 1.493261004881164
Energy: 1.3658829231507053
Energy: 1.4887775996891028
Energy: 1.466224992241322
Energy: 1.2550882313282403
Energy: 1.2563915663422809
Energy: 1.4684459173309894
Energy: 1.3350823811957357
Energy: 1.255999538081918
Energy: 1.195712199230727
Energy: 1.331671345469459
Energy: 1.6141055475554538
Energy: 1.3652276524966507
Energy: 1.332372818048854
Energy: 1.4991806404564847
Energy: 1.3903011621227228
Energy: 1.6169885006223281
Energy: 1.6163412179335004
Energy: 1.3932566283798773
Energy: 1.6169320531381672
Energy: 1.3335738525482346
Energy: 1.5347944739867485
Energy: 1.5959367027364348
Energy: 1.327888768746386
Energy: 1.53422155925292
Energy: 1.4806635985670205
Energy: 1.5813882770585515
Energy: 1.3339951188894208
Energy: 1.499970728557176
Energy: 1.334279983681817
Energy: 1.3371257528622051
Energy: 1.4059540314644172
Energy: 1.3467502009547747
Energy: 1.2553568657460523
Energy: 1.5118902339957723
Energy: 1.5117695613264148
Energy: 1.254802829964754
Energy: 1.510355820577334
Energy: 1.337709200013634
Energy: 1.1436600997226014
Energy: 1.486661121454049
Energy: 1.320411743663645
Energy: 1.2889655218660732
Energy: 1.4864275638900746
Energy: 1.2446508956168227
Energy: 1.332811763392238
Energy: 1.3735833916693565
Energy: 1.371395689097633
Energy: 1.3443201060856718
Energy: 1.1459221126801207
Energy: 1.289727806739316
Energy: 1.3321267010441842
Energy: 1.3197248824415713
Energy: 1.3327729807596516
Energy: 1.3347153260427196
Energy: 1.3241563003907637
Energy: 1.3330116547439907
Energy: 1.198069130335472
Energy: 1.3249328737799833
Energy: 1.4520197928805931
Energy: 1.1992581405166007
Energy: 1.1480673295869799
Energy: 1.327050317109133
Energy: 1.1476919715539335
Energy: 1.1442058337095273
Energy: 1.1442563048499146
Energy: 1.1472567086149394
Energy: 1.1461739301925473
Energy: 1.145207578462896
Energy: 1.273289238582118
Energy: 1.147942133009164
Energy: 1.1461668722826317
Energy: 1.3068388448981458
Energy: 1.146831553256259
Energy: 1.4654985100757378
Energy: 1.1453318700796336
Energy: 1.1588820019135266
Energy: 1.146403767557262
Energy: 1.1454056173493719
Energy: 1.2812284996217356
Energy: 1.1460758411012804
Energy: 1.1446668584285424
Energy: 1.1911577576520334
Energy: 1.1454624253890564
Energy: 1.1448078214639241
Energy: 1.2373947068332756
Energy: 1.1455987824503147
Energy: 1.101103555211567
Energy: 1.2433017164855884
Energy: 1.4303623249684931
Energy: 1.2351482001338867
Energy: 1.270127110040471
Energy: 1.2910674601289718
Energy: 1.1007006766966854
Energy: 1.3288198080694569
Energy: 1.329185760081512
Energy: 1.1005046758643415
Energy: 1.3375970828991166
Energy: 1.3341292901515351
Energy: 1.171571756789994
Energy: 1.189089889636254
Energy: 1.3716578886643835
Energy: 1.1712357006939211
Energy: 1.189360076637912
Energy: 1.3735692426310433
Energy: 1.5001040263769134
Energy: 1.3479220027208498
Energy: 1.473578807919346
Energy: 1.5002624096800943
Energy: 1.2530654508240857
Energy: 1.2964903793872131
Energy: 1.3302128766885877
Energy: 1.2556856067910938
Energy: 1.255184326675215
Energy: 1.3248283201870483
Energy: 1.2565872695038303
Energy: 1.3469428639522358
Energy: 1.1969766318655113
Energy: 1.5965903669021995
Energy: 1.6637259059038638
Energy: 1.3256032785490077
Energy: 1.596642185538647
Energy: 1.4919240437560306

minimum gb energy = 1.0997534279543293 eV
minimum distance =  2.49691997639223 Angstroms
sigma value = 41


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

Energy: 1.7338224030016924
Energy: 1.5087484374232452
Energy: 1.7884533789211512
Energy: 1.35036344462587
Energy: 1.5097046461216899
Energy: 1.7819547843481378
Energy: 1.443134147743813
Energy: 1.5783473812078117
Energy: 1.263485923321778
Energy: 1.4417407819442136
Energy: 1.5839359196460314
Energy: 1.264134007242781
Energy: 1.4487208445593167
Energy: 1.5574250959264138
Energy: 1.5226174157932832
Energy: 1.4482252456052556
Energy: 1.5134476340968963
Energy: 1.5222255563092069
Energy: 1.3125590113725227
Energy: 1.6084380615448262
Energy: 1.6020940063644618
Energy: 1.4938289393994413
Energy: 1.3339687732286538
Energy: 1.4237732391307025
Energy: 1.2645750039229668
Energy: 1.5784065827015408
Energy: 1.5791782526640652
Energy: 1.2648992133327672
Energy: 1.5815181648619767
Energy: 1.2639938603166658
Energy: 1.346488959511885
Energy: 1.5929226403893548
Energy: 1.5876207161080382
Energy: 1.3474014704907016
Energy: 1.589443584025434
Energy: 1.3011145835094349
Energy: 1.2633319661310265
Energy: 1.2521413919999296
Energy: 1.2514778400068853
Energy: 1.2631814869633275
Energy: 1.2510620521619287
Energy: 1.265783010655162
Energy: 1.2708734627546987
Energy: 1.2101524015628964
Energy: 1.264869240887033
Energy: 1.272623447779654
Energy: 1.2963403906116635
Energy: 1.2632296647380812
Energy: 1.485194058651056
Energy: 1.2651539153382592
Energy: 1.3819619423621814
Energy: 1.5355795932971248
Energy: 1.2648275573798198
Energy: 1.3257633067535197
Energy: 1.3511838341142322
Energy: 1.265583221215586
Energy: 1.2633426099680591
Energy: 1.3521223499974928
Energy: 1.268377658855056
Energy: 1.264960344313067
Energy: 1.3313301234657111
Energy: 1.2681067365823069
Energy: 1.2552967902121077
Energy: 1.3343863839566366
Energy: 1.1561565147606545
Energy: 1.2502353909811579
Energy: 1.4517774876714762
Energy: 1.3979899348361877
Energy: 1.3926626963909983
Energy: 1.4545666821931564
Energy: 1.3305606284950289
Energy: 1.3920647012172638
Energy: 1.4413131816986382
Energy: 1.2643140687882433
Energy: 1.4778141794850457
Energy: 1.4430144232443283
Energy: 1.2649897080876147
Energy: 1.263894468791589
Energy: 1.1549997311131555
Energy: 1.5334589255627968
Energy: 1.635133262094649
Energy: 1.2953765638003776
Energy: 1.5335953451494935
Energy: 1.1570900318251818

minimum gb energy = 1.1549997311131555 eV
minimum distance =  2.5299489909748 Angstroms
sigma value = 11


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

Energy: 2.273419233759859
Energy: 1.762073940306189
Energy: 1.7599012969318948
Energy: 1.713618056310382
Energy: 1.8322320885724062
Energy: 1.773887789008155
Energy: 1.674946091922148
Energy: 1.3251367967149352
Energy: 1.3007889480376802
Energy: 1.6776166397441872
Energy: 1.3234291856455864
Energy: 1.3004924729177372
Energy: 1.4414732699228874
Energy: 1.4718350284458712
Energy: 1.4843631788385618
Energy: 1.4415938464117004
Energy: 1.3116444084669348
Energy: 1.483767806510426
Energy: 1.5184521910690543
Energy: 1.4298746670760576
Energy: 1.4385222937787805
Energy: 1.5313160623292157
Energy: 1.4483226099871753
Energy: 1.4988274028253918
Energy: 1.541309844084691
Energy: 1.3255859824688159
Energy: 1.3021732027721482
Energy: 1.5443592083172226
Energy: 1.3255836613147287
Energy: 1.3009159670123571
Energy: 1.4976545001055306
Energy: 1.3487624450182851
Energy: 1.3491661646270863
Energy: 1.5109670486118134
Energy: 1.348253864635523
Energy: 1.3486569930009917
Energy: 1.3457107788274625
Energy: 1.3494413124151916
Energy: 1.3500368303359622
Energy: 1.345854793656656
Energy: 1.3283669551058517
Energy: 1.3486026310418684
Energy: 1.3232996031030926
Energy: 1.5490730942191482
Energy: 1.3011562415883469
Energy: 1.3236351160530229
Energy: 1.5482518062967592
Energy: 1.300900310922644
Energy: 1.305533078417327
Energy: 1.5444700565445078
Energy: 1.5277368382873648
Energy: 1.473065165775601
Energy: 1.5439787589838854
Energy: 1.4590665979804511
Energy: 1.3051665764102982
Energy: 1.6566186058333292
Energy: 1.471387891345478
Energy: 1.472425268182747
Energy: 1.655414249994428
Energy: 1.4265827874059533
Energy: 1.3257178864100914
Energy: 1.3813648358397246
Energy: 1.3027395685569367
Energy: 1.3234838388490495
Energy: 1.5048155471546092
Energy: 1.3003831777162818
Energy: 1.4943023754160358
Energy: 1.5104070157761929
Energy: 1.5978129347516505
Energy: 1.4911710584759905
Energy: 1.5623485460027282
Energy: 1.640994690006184
Energy: 1.30001502778997
Energy: 1.5052435780290079
Energy: 1.452341437272465
Energy: 1.3000839137654678
Energy: 1.647677720797634
Energy: 1.2997678652410203
Energy: 1.4005386061808758
Energy: 1.4438270415844152
Energy: 1.4413570448189703
Energy: 1.434660844621214
Energy: 1.4722283765107655
Energy: 1.5819213555139104
Energy: 1.2615170072855004
Energy: 1.5464343384003294
Energy: 1.5301232257166324
Energy: 1.261650435161762
Energy: 1.5458402813844299
Energy: 1.4166050221078104
Energy: 1.2615507782784563
Energy: 1.262017304340454
Energy: 1.2613469851630845
Energy: 1.263589417433475
Energy: 1.411898517013121
Energy: 1.2619948313126816
Energy: 1.260912834468982
Energy: 1.5645052940858435
Energy: 1.3172616442008833
Energy: 1.2612035507405899
Energy: 1.496949523033015
Energy: 1.2615388078568308
Energy: 1.4653358090145099
Energy: 1.3827036812397473
Energy: 1.4159163415004008
Energy: 1.4999880442159428
Energy: 1.4950511743659551
Energy: 1.4440495344824187
Energy: 1.3538580057041605
Energy: 1.4506523356454677
Energy: 1.3887435554990093
Energy: 1.3882409835450031
Energy: 1.4543942107697163
Energy: 1.4700008260062145
Energy: 1.3920559373616446
Energy: 1.4351730881898577
Energy: 1.6075977655894123
Energy: 1.3925598870568516
Energy: 1.3893816756124837
Energy: 1.4673668215873463
Energy: 1.457319063398994
Energy: 1.472241663203321
Energy: 1.467757157027191
Energy: 1.452727649471605
Energy: 1.2658183225335393
Energy: 1.339607945917937
Energy: 1.3444482026517781
Energy: 1.45298781845034
Energy: 1.3387140312045702
Energy: 1.3451739188445888
Energy: 1.4533607004992881
Energy: 1.4161382030020853
Energy: 1.3826380390287518
Energy: 1.403325960767861
Energy: 1.533707847141666
Energy: 1.449363779777217
Energy: 1.4034100717719333
Energy: 1.5147812575372794
Energy: 1.4530097067608612
Energy: 1.3885411319225676
Energy: 1.420143143894031
Energy: 1.4555154289167875
Energy: 1.3882721241023708
Energy: 1.388351165440767
Energy: 1.5287368711858504
Energy: 1.3644668061097356
Energy: 1.4969806567671526
Energy: 1.531518771002725
Energy: 1.3457163423322784
Energy: 1.5289927617214387
Energy: 1.5494295129093274
Energy: 1.2623260230254054
Energy: 1.2619474271959308
Energy: 1.5126278982555643
Energy: 1.2613867228995164
Energy: 1.3148552334448
Energy: 1.5321912120704957
Energy: 1.2619673032337437
Energy: 1.2617480402755774
Energy: 1.4936433426319515
Energy: 1.2618407976598631
Energy: 1.2614931261375644
Energy: 1.5633120256108872
Energy: 1.2628963560805853
Energy: 1.4595387768656267
Energy: 1.5637769097710135
Energy: 1.261373742593715
Energy: 1.4111457600919055
Energy: 1.4405723285576997
Energy: 1.4315368177014036
Energy: 1.529611587854139
Energy: 1.4408847719392557
Energy: 1.4750332885964645
Energy: 1.4477498566550415
Energy: 1.6517716160290798
Energy: 1.3002195344640595
Energy: 1.3029711017574694
Energy: 1.6474965652599152
Energy: 1.2999107298532928
Energy: 1.3012804887269762
Energy: 1.4147874203162523
Energy: 1.3001513681311814
Energy: 1.5553954477396228
Energy: 1.4467062568273015
Energy: 1.299952774276883
Energy: 1.5542857336914824

minimum gb energy = 1.260912834468982 eV
minimum distance =  2.48789023854761 Angstroms
sigma value = 57


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

Energy: 2.0494855074742198
Energy: 1.7529856224074398
Energy: 1.5980909661132494
Energy: 1.5969963741678102
Energy: 1.7566811426622815
Energy: 1.6011867181110717
Energy: 1.372188098650167
Energy: 1.2326631955487006
Energy: 1.1576080121322943
Energy: 1.2733036796870216
Energy: 1.1578421733467896
Energy: 1.224265267668696
Energy: 1.3808346225781998
Energy: 1.2613310545760534
Energy: 1.3203651519873219
Energy: 1.3815992958103849
Energy: 1.1980233376485365
Energy: 1.3758986925728174
Energy: 1.3399725690874353
Energy: 1.1615267125715933
Energy: 1.157338172389474
Energy: 1.2095178069193586
Energy: 1.2601314549113964
Energy: 1.1600619561508851
Energy: 1.2691702510654808
Energy: 1.157730873563781
Energy: 1.157618335118253
Energy: 1.2699212560003525
Energy: 1.3858287014251176
Energy: 1.157582025079577
Energy: 1.2095945493313076
Energy: 1.3739752925027737
Energy: 1.3760776071537315
Energy: 1.2098171806330433
Energy: 1.3741853663346093
Energy: 1.3763016058925017
Energy: 1.3773904792683034
Energy: 1.3267496477833916
Energy: 1.1216792920042344
Energy: 1.375491885666591
Energy: 1.2964057788943426
Energy: 1.375794907653368
Energy: 1.3769353193310783
Energy: 1.2706028376162248
Energy: 1.1600286832294777
Energy: 1.3797476156804462
Energy: 1.269791770232039
Energy: 1.1587733935818234
Energy: 1.0887355338438909
Energy: 1.34240989848898
Energy: 1.5033008099760246
Energy: 1.0884674740505118
Energy: 1.3450307928033889
Energy: 1.297420545297765
Energy: 1.08832279287254
Energy: 1.377794828155582
Energy: 1.4955521592192051
Energy: 1.090022703138317
Energy: 1.3773932564945333
Energy: 1.2988218423362545
Energy: 1.3742582571848427
Energy: 1.273070200097217
Energy: 1.1595050786050958
Energy: 1.3766144853193911
Energy: 1.2725376161963453
Energy: 1.1584796533718102
Energy: 1.7649038653998843
Energy: 1.470720977355667
Energy: 1.322802000262278
Energy: 1.7661731477540403
Energy: 1.4705507684046715
Energy: 1.7591810359818814
Energy: 1.2064831228037125
Energy: 1.2694773697888364
Energy: 1.2258781134519667
Energy: 1.2069732680165663
Energy: 1.2733016694056638
Energy: 1.223457464122168
Energy: 1.2080368696205057
Energy: 1.3759743063103715
Energy: 1.376563028615175
Energy: 1.4950800649086042
Energy: 1.3816712565833047
Energy: 1.3759683626810257
Energy: 1.3726736744389019
Energy: 1.2987440363189995
Energy: 1.2092906200313214
Energy: 1.3721707383424941
Energy: 1.30516771094495
Energy: 1.157649358734931
Energy: 1.3808414110007117
Energy: 1.2980448897208001
Energy: 1.0883697781807962
Energy: 1.3762513333944164
Energy: 1.2971032553610193
Energy: 1.3419104506713457
Energy: 1.0874754184731803
Energy: 1.2087669632602667
Energy: 1.1577166447862666
Energy: 1.0878797417188806
Energy: 1.2076942527824241
Energy: 1.2262733707945173

minimum gb energy = 1.0874754184731803 eV
minimum distance =  2.52045072044192 Angstroms
sigma value = 9


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

Energy: 2.3984165484862343
Energy: 1.605744064354957
Energy: 1.6326900754932456
Energy: 1.625513983484421
Energy: 1.6049214603203983
Energy: 1.6275055508080554
Energy: 1.4387522599768214
Energy: 1.3142568171944202
Energy: 1.3132902555103518
Energy: 1.583637440221678
Energy: 1.343425893811795
Energy: 1.3632884334260216
Energy: 1.4078132187211714
Energy: 1.3592086669757053
Energy: 1.4451542663248376
Energy: 1.4084126158153578
Energy: 1.531179514427573
Energy: 1.406351415651605
Energy: 1.2915290754468507
Energy: 1.3635718143942788
Energy: 1.3624915744324866
Energy: 1.2914316573650693
Energy: 1.3695428358638158
Energy: 1.361897452788485
Energy: 1.5161135964746815
Energy: 1.345489549282366
Energy: 1.292406631811491
Energy: 1.5182606776518872
Energy: 1.3495260441708143
Energy: 1.293646769266138
Energy: 1.2812487300469277
Energy: 1.3100062721976506
Energy: 1.4325087226888897
Energy: 1.2817523443463483
Energy: 1.3488471320416977
Energy: 1.4308560356570192
Energy: 1.4006275097429968
Energy: 1.3299643471660545
Energy: 1.301495899447367
Energy: 1.399389160228248
Energy: 1.2853090365455635
Energy: 1.301796428470961
Energy: 1.3463216491132777
Energy: 1.2697319578870185
Energy: 1.4316380224794925
Energy: 1.344500843681196
Energy: 1.2715793071515078
Energy: 1.3882502734280993
Energy: 1.3412606894076764
Energy: 1.419428972603793
Energy: 1.396639217964803
Energy: 1.4152619494690464
Energy: 1.4243820208445084
Energy: 1.4401619322440395
Energy: 1.3403008072058147
Energy: 1.2826944983345927
Energy: 1.2822596329340337
Energy: 1.2868951742037218
Energy: 1.2834607029500347
Energy: 1.2832905816790168
Energy: 1.344375604063549
Energy: 1.3702086026691271
Energy: 1.3869829783928211
Energy: 1.344636136230641
Energy: 1.2870406178161753
Energy: 1.2828978866180618
Energy: 1.344314812416817
Energy: 1.363683482098538
Energy: 1.3153452507978243
Energy: 1.3448608633345125
Energy: 1.2928783912666055
Energy: 1.316309723648872
Energy: 1.8849698803568407
Energy: 1.4116341896855853
Energy: 1.3969074482721726
Energy: 1.387983993891715
Energy: 1.40730910672721
Energy: 1.4524625234327486
Energy: 1.3535213497215457
Energy: 1.316392330225772
Energy: 1.2963033763080791
Energy: 1.2878261106132893
Energy: 1.3141943394041862
Energy: 1.291465763384197
Energy: 1.4743068436488893
Energy: 1.4285607626412251
Energy: 1.4438560893178825
Energy: 1.47655056291022
Energy: 1.3858178795905316
Energy: 1.3600342292646221
Energy: 1.5537036470330925
Energy: 1.2881422655672485
Energy: 1.4644227327491284
Energy: 1.5540748708767878
Energy: 1.3992917764065522
Energy: 1.557523283311936
Energy: 1.3137533575785656
Energy: 1.3619619750614744
Energy: 1.3969173809873694
Energy: 1.3139926140268827
Energy: 1.438252483232208
Energy: 1.362703414541656
Energy: 1.7237305884428544
Energy: 1.3140300212289484
Energy: 1.3142294189302441
Energy: 1.5085443385563053
Energy: 1.3155948073607706
Energy: 1.2937260797410315
Energy: 1.3161962383465733
Energy: 1.3625206952830202
Energy: 1.3622635777237495
Energy: 1.439737861130144
Energy: 1.5531180990973428
Energy: 1.4002898908998844
Energy: 1.313334183808657
Energy: 1.3635410345037402
Energy: 1.3648307400366986
Energy: 1.3137253501411945
Energy: 1.494394170587757
Energy: 1.262112638139814
Energy: 1.3254963400010586
Energy: 1.3595219059617247
Energy: 1.3318517493519002
Energy: 1.3258933665804655
Energy: 1.3628582594844387
Energy: 1.3606968544046525

minimum gb energy = 1.262112638139814 eV
minimum distance =  2.53462993751072 Angstroms
sigma value = 27


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

Energy: 1.3906443723957977
Energy: 1.3675172168525525
Energy: 1.1393431713661513
Energy: 1.3934131046557419
Energy: 2.0565085442065967
Energy: 1.1389248063809216
Energy: 1.3956857544190207
Energy: 1.1810254266103941
Energy: 1.1672735254960784
Energy: 1.39681592693532
Energy: 1.1789113517580128
Energy: 1.2200243057514022
Energy: 1.3162723318948093
Energy: 1.222278349329577
Energy: 1.2337878804967806
Energy: 1.3179434739524543
Energy: 1.4027434987790295
Energy: 1.2372199749579718
Energy: 1.1650089181636825
Energy: 1.1587290367090084
Energy: 1.2212512998932066
Energy: 1.1648912345099414
Energy: 1.218010929433596
Energy: 1.2187342944142938
Energy: 1.265152001923032
Energy: 1.1803378691222968
Energy: 1.1815620034324255
Energy: 1.265527957839206
Energy: 1.1794452938936595
Energy: 1.168564455789903
Energy: 1.3040154513456197
Energy: 1.2212578071321276
Energy: 1.2209479945866106
Energy: 1.305402676735788
Energy: 1.399632675950032
Energy: 1.2204862764314928
Energy: 1.1709199126956649
Energy: 1.1373538011554376
Energy: 1.1404117672633005
Energy: 1.1673804896251692
Energy: 1.4016016865883412
Energy: 1.1401081619716107
Energy: 1.177793087732757
Energy: 1.1368389690900615
Energy: 1.2205731702467744
Energy: 1.178371131028108
Energy: 1.1363983820674841
Energy: 1.1702163819284868
Energy: 1.3172940854181223
Energy: 1.329639228103278
Energy: 1.234035491225385
Energy: 1.3068737860339612
Energy: 1.3207519582592129
Energy: 1.2360531643868269
Energy: 1.180034005379876
Energy: 1.219045931939597
Energy: 1.226529601156566
Energy: 1.1586440032504934
Energy: 1.3055366170141218
Energy: 1.2207097357722987
Energy: 1.1780226971873637
Energy: 1.2192693054383745
Energy: 1.1691538735578255
Energy: 1.1775300695269293
Energy: 1.2658549990548273
Energy: 1.16883847546648
Energy: 1.3881617180056514
Energy: 1.219896575781423
Energy: 1.2215711188012253
Energy: 1.389497032585743
Energy: 1.3092150755017673
Energy: 1.222399569837224
Energy: 1.3901300884610361
Energy: 1.1650064349980924
Energy: 1.1410323452185287
Energy: 1.3915913986014536
Energy: 1.1716390639607195
Energy: 1.1419489198419495
Energy: 1.1388567050781393
Energy: 1.1803693484742193
Energy: 1.182217072534865
Energy: 1.1375520578047273
Energy: 1.177686900504884
Energy: 1.1430484772743474
Energy: 1.320243621642187
Energy: 1.2208491902731038
Energy: 1.220880095766778
Energy: 1.3225914567478947
Energy: 1.157730435906782
Energy: 1.2388004822133418
Energy: 1.3025240692608158
Energy: 1.2213437851763704
Energy: 1.21948905212337
Energy: 1.304176742322655
Energy: 1.2196462039764446
Energy: 1.223085027950444
Energy: 1.265656886038594
Energy: 1.1809613564770358
Energy: 1.1698859851439765
Energy: 1.2660059412486977
Energy: 1.1784969328542612
Energy: 1.2194906130422718
Energy: 1.2996580944068246
Energy: 1.1805303601397257
Energy: 1.1829464534139125
Energy: 1.3018398274433756
Energy: 1.1794282548715975
Energy: 1.1684434327449944
Energy: 1.1646083558411384
Energy: 1.139335600350685
Energy: 1.1416999934094672
Energy: 1.1675510987501811
Energy: 1.391298051985292
Energy: 1.1429448658059318
Energy: 1.1808491058778436
Energy: 1.1394718825644972
Energy: 1.1419406210693235
Energy: 1.1841147738889624
Energy: 1.3911260568849635
Energy: 1.1431633702606023
Energy: 1.3932532507086084
Energy: 1.181368132091852
Energy: 1.1822193005148667
Energy: 1.395928209511904
Energy: 1.1807476258990952
Energy: 1.170505238610203
Energy: 1.2890118268023505
Energy: 1.3123641364692664
Energy: 1.220077982512011
Energy: 1.2852746365617473
Energy: 1.3064880307964706
Energy: 1.2222576329808785
Energy: 1.17797255483315
Energy: 1.2237526760656792
Energy: 1.220116932901095
Energy: 1.1783087017730982
Energy: 1.219946079894319
Energy: 1.2205073151966388
Energy: 1.177791188919769
Energy: 1.1570369318461757
Energy: 1.1692061586450482
Energy: 1.178675463747347
Energy: 1.304976253505423
Energy: 1.1824116524880908
Energy: 1.1381553983206443
Energy: 1.1667796002879036
Energy: 1.168407971214968
Energy: 1.138986632368653
Energy: 1.165183454863414
Energy: 1.1432142142249628

minimum gb energy = 1.1363983820674841 eV
minimum distance =  2.58598570286256 Angstroms
sigma value = 19


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

Energy: 1.5258193718668616
Energy: 1.3889363486480766
Energy: 1.3156329112467169
Energy: 1.5622800756384465
Energy: 1.3881261712271102
Energy: 1.3156150602630823
Energy: 1.3835329218266064
Energy: 1.3841519585830322
Energy: 1.3854279884422869
Energy: 1.3609039210936509
Energy: 1.3833023305843537
Energy: 1.3696017166136316
Energy: 1.3829868454668353
Energy: 1.4526992250546409
Energy: 1.4645396144701703
Energy: 1.3836650810453188
Energy: 1.4671271643672914
Energy: 1.3629362951188526
Energy: 1.3831591575698308
Energy: 1.366820115213996
Energy: 1.3415102860563912
Energy: 1.3833861661419677
Energy: 1.3832781833389534
Energy: 1.3555561301287762
Energy: 1.547755494508339
Energy: 1.4566432058594097
Energy: 1.4542076122377496
Energy: 1.5510239073125778
Energy: 1.482855095467548
Energy: 1.450766563097895
Energy: 1.382512114725088
Energy: 1.3633255488369231
Energy: 1.4453453324534462
Energy: 1.382628217232667
Energy: 1.384309294806897
Energy: 1.3408046394871103
Energy: 1.335018610354125
Energy: 1.335703214578462
Energy: 1.3386775880860635
Energy: 1.311842267581412
Energy: 1.4601551357397644
Energy: 1.3397927804380978
Energy: 1.537467973888538
Energy: 1.4067267567550321
Energy: 1.4747513500629035
Energy: 1.5399155217569414
Energy: 1.3434935906566827
Energy: 1.4977010509854833
Energy: 1.5116947221419967
Energy: 1.3853610089784323
Energy: 1.3474559038879357
Energy: 1.511755491675694
Energy: 1.3841656456190066
Energy: 1.3459286182666397
Energy: 1.337609060893574
Energy: 1.3870264147752096
Energy: 1.3467261709780982
Energy: 1.309733474823109
Energy: 1.3862424040297476
Energy: 1.3446541948035842
Energy: 1.4504005527217947
Energy: 1.4267422753733445
Energy: 1.5342896033541569
Energy: 1.45382342850587
Energy: 1.5380196082464672
Energy: 1.5334618127489497
Energy: 1.3472382760560053
Energy: 1.3893061965600533
Energy: 1.368302228514097
Energy: 1.3477439801558022
Energy: 1.4107767197321066
Energy: 1.2927132242819812
Energy: 1.7651176679979899
Energy: 1.2827147227270577
Energy: 1.3414988955037999
Energy: 1.4970515419651549
Energy: 1.4572563433911325
Energy: 1.3383618746354442
Energy: 1.4005283164942923
Energy: 1.4147863591522991
Energy: 1.4139967981500354
Energy: 1.342429845726099
Energy: 1.418526987066525
Energy: 1.4127655686957785
Energy: 1.3461493695447801
Energy: 1.4365307938052692
Energy: 1.2993659304043426
Energy: 1.3462695019676967
Energy: 1.4673100324742177
Energy: 1.3367402409104434
Energy: 1.3462617068714942
Energy: 1.3755104395682916
Energy: 1.3198125916435939
Energy: 1.3465020284810145
Energy: 1.463529454419478
Energy: 1.311943943279346
Energy: 1.8652539189705633
Energy: 1.3484267473360856
Energy: 1.3706869120786833
Energy: 1.791076291787851
Energy: 1.3474714528346377
Energy: 1.3704351812913338
Energy: 1.4095646369044184
Energy: 1.3482686855677908
Energy: 1.3345081335600824
Energy: 1.411472711062159
Energy: 1.347329926732565
Energy: 1.3132594908299187
Energy: 1.419044596573235
Energy: 1.3225993432471888
Energy: 1.345352518794326
Energy: 1.4191458648555102
Energy: 1.4822648835071301
Energy: 1.3771106862080327
Energy: 1.4743518002235012
Energy: 1.3379201934290517
Energy: 1.337508859463407
Energy: 1.45801384065137
Energy: 1.4868603419938313
Energy: 1.337241576803303
Energy: 1.46419966613896
Energy: 1.3487906275178436
Energy: 1.3351104804788663
Energy: 1.4636089963180188
Energy: 1.3467555677211458
Energy: 1.3109032884745795
Energy: 1.4674272869208334
Energy: 1.3510171468098284
Energy: 1.3469509917282132
Energy: 1.467951713990299
Energy: 1.3474867255019767
Energy: 1.3125694237004035
Energy: 1.4824264640239693
Energy: 1.3565803822306188
Energy: 1.364099397312424
Energy: 1.4849067019544342
Energy: 1.4910880496577754
Energy: 1.3034637259681077
Energy: 1.5232047548642096
Energy: 1.4538110056732416
Energy: 1.295988303146069
Energy: 1.5248201498579033
Energy: 1.3002270336149913
Energy: 1.4075301389848616
Energy: 1.4776971896450042
Energy: 1.3472562092915916
Energy: 1.363947282751914
Energy: 1.4776677551284088
Energy: 1.3475481616071772
Energy: 1.344761764255154
Energy: 1.7133281649489287
Energy: 1.4512692040647608
Energy: 1.451637283343677
Energy: 1.6673925892532169
Energy: 1.4509655235428118
Energy: 1.3453163926851037
Energy: 1.3857142081425473
Energy: 1.4603847263245684
Energy: 1.3454344359836745
Energy: 1.386066077594645
Energy: 1.4888441282484992
Energy: 1.3454000932645702
Energy: 1.3816578082880795
Energy: 1.4887813469612077
Energy: 1.3300511211618051
Energy: 1.382597169376112
Energy: 1.4887218707666823
Energy: 1.3597662618317286
Energy: 1.3425933636050398
Energy: 1.550409442519829
Energy: 1.550741749341836
Energy: 1.2988134723222333
Energy: 1.5439526555454106
Energy: 1.2964039227820825

minimum gb energy = 1.2827147227270577 eV
minimum distance =  2.52363981788124 Angstroms
sigma value = 101


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

Energy: 2.0550811027157856
Energy: 1.366925593878923
Energy: 1.3735959611436255
Energy: 1.6514311741639602
Energy: 1.366614145536723
Energy: 1.6510579517087367
Energy: 1.409247791302945
Energy: 1.3986767542837402
Energy: 1.3984265724134821
Energy: 1.4101869860260678
Energy: 1.39811961094804
Energy: 1.3647935009308052
Energy: 1.5804979951961828
Energy: 1.3529381291612876
Energy: 1.541150415116012
Energy: 1.5893604843400428
Energy: 1.4267174368363589
Energy: 1.5521967463807238
Energy: 1.3969590105472545
Energy: 1.3794391785676445
Energy: 1.364511160766027
Energy: 1.3971154750512143
Energy: 1.397141391304648
Energy: 1.363318489150841
Energy: 1.49506979000147
Energy: 1.5224862567958868
Energy: 1.5239759654506573
Energy: 1.4971491486409314
Energy: 1.5768137172965278
Energy: 1.3750394414677005
Energy: 1.4572743821223926
Energy: 1.371518972749456
Energy: 1.3655706549269355
Energy: 1.4572090154509025
Energy: 1.4130350103855933
Energy: 1.3461486282693103
Energy: 1.3689063619158097
Energy: 1.5128421064478783
Energy: 1.5134579014387601
Energy: 1.3693911438675006
Energy: 1.5110520529004678
Energy: 1.512266551308478
Energy: 1.451363409057147
Energy: 1.40842566095724
Energy: 1.4504752357624449
Energy: 1.4508115107385116
Energy: 1.4103692266341545
Energy: 1.4501297539415097
Energy: 1.452901848664216
Energy: 1.37697286162837
Energy: 1.3735975963117828
Energy: 1.4558232891406029
Energy: 1.4102727713767753
Energy: 1.3510991479504524
Energy: 1.458539315037275
Energy: 1.413746660742192
Energy: 1.350901344091604
Energy: 1.4812303069306252
Energy: 1.415831954742055
Energy: 1.4406046584150456
Energy: 1.5198852894856325
Energy: 1.6637793519014554
Energy: 1.6652581528206685
Energy: 1.5240496967867065
Energy: 1.6627853296745405
Energy: 1.6674847460729567
Energy: 1.4535418882236115
Energy: 1.5049359435403755
Energy: 1.4650788900251617
Energy: 1.4546507798782644
Energy: 1.4709886682711368
Energy: 1.3920615680361677
Energy: 1.416799263885919
Energy: 1.372793931552959
Energy: 1.3734992688677072
Energy: 1.6227722990044486
Energy: 1.3745989659002351
Energy: 1.3736861396549733
Energy: 1.400482138813993
Energy: 1.3760985972072528
Energy: 1.3591900751824375
Energy: 1.400349636644886
Energy: 1.3759770816214618
Energy: 1.3442859577277102
Energy: 1.411021394045888
Energy: 1.4377471444989163
Energy: 1.3523476691923726
Energy: 1.4140404859255091
Energy: 1.4699852171511918
Energy: 1.3746106007040562
Energy: 1.4097768854902037
Energy: 1.3422086898275316
Energy: 1.3420767734920742
Energy: 1.4104560614213881
Energy: 1.3754266214386521
Energy: 1.4221398990366432
Energy: 2.0538217263457135
Energy: 1.436856241061623
Energy: 1.3768131780333
Energy: 1.651380589401021
Energy: 1.5695223849685611
Energy: 1.651189541282529
Energy: 1.3537585708854671
Energy: 1.4089823057987811
Energy: 1.4574906198611348
Energy: 1.3537513051322334
Energy: 1.4095388074070252
Energy: 1.3479261373639404
Energy: 1.40814671827086
Energy: 1.4261530510733054
Energy: 1.370804492830409
Energy: 1.4083446533332302
Energy: 1.4551159405167065
Energy: 1.3720195623122267
Energy: 1.5771724962772045
Energy: 1.4268558314394961
Energy: 1.3473670990572413
Energy: 1.581735430335021
Energy: 1.4005118689643652
Energy: 1.3694449103301913
Energy: 1.499493091161464
Energy: 1.5255672234667261
Energy: 1.5224890748844988
Energy: 1.4935101397119421
Energy: 1.5645139842951492
Energy: 1.3712327972774512
Energy: 1.4566675960952304
Energy: 1.3714958804060693
Energy: 1.346466020841721
Energy: 1.4570640197131386
Energy: 1.4108144458623137
Energy: 1.4244994569795593
Energy: 1.4563300986905323
Energy: 1.3406449865790933
Energy: 1.3595754855332525
Energy: 1.456202228727569
Energy: 1.3935416669800633
Energy: 1.3599411859291608
Energy: 1.4523343472903818
Energy: 1.3759456164099633
Energy: 1.37658682927887
Energy: 1.4525360458469798
Energy: 1.3860671772616113
Energy: 1.4505353989999246
Energy: 1.4627015421528589
Energy: 1.371653732742264
Energy: 1.3513185710215407
Energy: 1.4640171962448036
Energy: 1.4096966572612806
Energy: 1.3475032959115507
Energy: 1.4514970807302716
Energy: 1.4123342245716077
Energy: 1.3516248576667558
Energy: 1.4532229577005773
Energy: 1.4144531234723376
Energy: 1.3500607227467536
Energy: 1.621453827631867
Energy: 1.3170338336378238
Energy: 1.3348957675358684
Energy: 1.6262605731607682
Energy: 1.48811811235796
Energy: 1.6626310611506725
Energy: 1.416868813011052
Energy: 1.373638115388603
Energy: 1.3135903004206733
Energy: 1.417876165852088
Energy: 1.3466104518870916
Energy: 1.4114475856539144
Energy: 1.4489763244713212
Energy: 1.453745453251134
Energy: 1.4538604127305994
Energy: 1.447938885645458
Energy: 1.453095551601091
Energy: 1.3845687712820633
Energy: 1.4174002606130551
Energy: 1.3675453039112435
Energy: 1.3692814609831039
Energy: 1.4568493454415419
Energy: 1.366608389601794
Energy: 1.3498151719792821
Energy: 1.4200945187272416
Energy: 1.4177072492321374
Energy: 1.447954888522637
Energy: 1.417949758582758
Energy: 1.4185598833138109
Energy: 1.351488562415316
Energy: 1.407538120968791
Energy: 1.4074856260355386
Energy: 1.4163802776879235
Energy: 1.4086972406121159
Energy: 1.4614847256454002
Energy: 1.3520678137204314
Energy: 1.435831882403223
Energy: 1.5766165049720817
Energy: 1.373351594845191
Energy: 1.3641840030170398
Energy: 1.5775702652177
Energy: 1.4113873856513244

minimum gb energy = 1.3135903004206733 eV
minimum distance =  2.49885030324965 Angstroms
sigma value = 33


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

Energy: 0.022709262567307143
Energy: 0.9843447685922082
Energy: 0.023488490336292828
Energy: 0.022871050129586745
Energy: 0.9842547923394079
Energy: 0.0232095150519685
Energy: 0.8943386608325454
Energy: 0.28723392631956096
Energy: 0.2839482277694168
Energy: 0.2840291240902215
Energy: 0.2838240405915922
Energy: 0.28395284741218657
Energy: 1.6100998364584596
Energy: 0.9844953378111975
Energy: 0.9839540714773949
Energy: 0.9809002427269449
Energy: 0.9813097711839429
Energy: 0.9842567875729866
Energy: 0.894338660832902
Energy: 0.28723392631996236
Energy: 0.2839482277694168
Energy: 0.2840291240902215
Energy: 0.283824040592395
Energy: 0.2839528474117852

minimum gb energy = 0.022709262567307143 eV
minimum distance =  2.65455830699535 Angstroms
sigma value = 1