Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665000349283223
cohesive_energy=4.280336677243816
mass=55.845
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=[1.7036585019975598e-19, 2.5228514149617598e-19, 3.1804808361534e-19, 3.7654996122921598e-19, 4.2778436563126797e-19, 4.69352838400398e-19, 5.02333644411288e-19, 5.28612545562156e-19, 5.499070752046499e-19, 5.679411753969539e-19, 5.841167506938179e-19, 5.9925411553185e-19, 6.135823811697119e-19, 6.26934921237468e-19, 6.3904417223724e-19, 6.497210773262161e-19, 6.588951407324999e-19, 6.665743733392619e-19, 6.728180556819599e-19, 6.777111031221959e-19, 6.813512484346439e-19, 6.838394287472459e-19, 6.852717746580419e-19, 6.85731599352e-19, 6.85244537655264e-19, 6.836808132604799e-19, 6.80864186737908e-19, 6.76571955535422e-19, 6.70501308269196e-19, 6.622517007807299e-19, 6.513056300172419e-19, 6.37007805735426e-19, 6.185202895557e-19, 5.94758407896846e-19, 5.64339482323722e-19, 5.25507527245464e-19, 4.7614286297529e-19, 4.1389349421448797e-19, 3.34971875400282e-19, 2.2537818710478e-19, 4.1348974570271994e-20, -3.2024306560391995e-19, -1.018072700719254e-18, -2.2188544204266e-18, -3.9292741078196395e-18, -5.4375631910672394e-18, -3.5420921024472e-18, 1.31032413835056e-17, 8.271653438949839e-17, 3.3613345345993197e-16, 1.2549400964664479e-15, 4.86433643495472e-15]
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: 0.013126885528410669
Energy: 0.21310719445823673
Energy: 0.21308605364383726
Energy: 0.21303238011409206
Energy: 0.21310041894763782
Energy: 0.013310929619026699
Energy: 0.21310719445920653
Energy: 1.0052922475053527
Energy: 0.2135228769360629
Energy: 0.21307565921653007
Energy: 0.21348652618830732
Energy: 0.21317402083042447
Energy: 0.21308605364336622
Energy: 0.2135228769360629
Energy: 1.004700415499933
Energy: 0.01326187808117338
Energy: 0.21307454594939204
Energy: 0.21348031897061615
Energy: 0.21303238011849787
Energy: 0.213075659216059
Energy: 0.01326187808167215
Energy: 0.013302541741767596
Energy: 0.21359684555188996
Energy: 0.21323585285133548
Energy: 0.21310041894763782
Energy: 0.21348652618830732
Energy: 0.21307454594939204
Energy: 0.213596845552361
Energy: 1.0050846967414366
Energy: 0.2131182067384587
Energy: 0.013310929619497758
Energy: 0.2131740208299534
Energy: 0.21348031897061615
Energy: 0.21323585285133548
Energy: 0.2131182067384587
Energy: 0.013655675667331363

minimum gb energy = 0.013126885528410669 eV
minimum distance =  2.48063120636456 Angstroms
sigma value = 1


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

Energy: 2.017011893518844
Energy: 1.2936950604349977
Energy: 1.2937398208920128
Energy: 1.3079019527014033
Energy: 1.29238323176874
Energy: 1.3715288706273296
Energy: 1.1898463468620977
Energy: 1.3930799614000877
Energy: 1.2917763519469416
Energy: 1.1898674261875821
Energy: 1.293119870282924
Energy: 1.296431353919267
Energy: 1.18854453260972
Energy: 1.2931400629174215
Energy: 1.392677294838811
Energy: 1.189692304971118
Energy: 1.2965014263735588
Energy: 1.2948250351575197
Energy: 1.3308280970111237
Energy: 1.2956954334434374
Energy: 1.4016954346879618
Energy: 1.1911958732805323
Energy: 1.2958755224656633
Energy: 1.2947431515816286
Energy: 1.1944129760938487
Energy: 1.2948559242554512
Energy: 1.2939207672876132
Energy: 1.1892943361165373
Energy: 1.3971065218859262
Energy: 1.2962903712823968
Energy: 1.1904503877577346
Energy: 1.4017250658644553
Energy: 1.4031446043000753
Energy: 1.190277754467689
Energy: 1.401154828587538
Energy: 1.4018980991607666
Energy: 1.1907088489973772
Energy: 1.4008465230895963
Energy: 1.4011365329911263
Energy: 1.456129600351755
Energy: 1.403380069983521
Energy: 1.403171082293059
Energy: 1.191786710286446
Energy: 1.1908881904583335
Energy: 1.1906624897968296
Energy: 1.1903389772389763
Energy: 1.4029238880994368
Energy: 1.1905030109952055
Energy: 1.1883123343485549
Energy: 1.4015193950880027
Energy: 1.403347406284352
Energy: 1.322637365824467
Energy: 1.4015997937803433
Energy: 1.3402657845934167
Energy: 1.1866920271947752
Energy: 1.400942301872305
Energy: 1.4047329415397223
Energy: 1.3162378445097254
Energy: 1.4004545116866975
Energy: 1.4169707136253236
Energy: 1.1897744980304445
Energy: 1.1911503422983736
Energy: 1.2952521312660965
Energy: 1.1916338856934612
Energy: 1.4056633507515117
Energy: 1.1887752611672828
Energy: 1.3123692862297016
Energy: 1.2929215911526493
Energy: 1.3706436744574562
Energy: 1.1953000991993652
Energy: 1.2928536467768843
Energy: 1.2934117129025842
Energy: 1.3190435384372756
Energy: 1.3051426124432373
Energy: 1.3725039834946073
Energy: 1.1948238838552794
Energy: 1.297430021185098
Energy: 1.295589254563358
Energy: 1.1884593389770453
Energy: 1.2945688624837564
Energy: 1.299087116423042
Energy: 1.191176355205483
Energy: 1.2942821773914355
Energy: 1.2953868240141801
Energy: 1.1894933053542471
Energy: 1.295741356118472
Energy: 1.2947862184827559
Energy: 1.3232857713075201
Energy: 1.2922148497935115
Energy: 1.4016486668190928
Energy: 1.1900198482630826
Energy: 1.2948873192763528
Energy: 1.297006054209996
Energy: 1.315739370720473
Energy: 1.2939950062000138
Energy: 1.2942386694657109
Energy: 1.1898043508862475
Energy: 1.295681216364249
Energy: 1.1880103866005252
Energy: 1.1887698539852931
Energy: 1.403696038443514
Energy: 1.2949590100808464
Energy: 1.3155418660689173
Energy: 1.4018953243937897
Energy: 1.4038794144308402
Energy: 1.4018109007504638
Energy: 1.4037053947623177
Energy: 1.4033266244098366
Energy: 1.315833036639147
Energy: 1.4032555238906468
Energy: 1.3404948545997826
Energy: 1.1900575598329093
Energy: 1.4008829597401646
Energy: 1.4022485796005615
Energy: 1.190270661904532
Energy: 1.4023846990769384
Energy: 1.1886394252859156
Energy: 1.1899740319350576
Energy: 1.4109422462017343
Energy: 1.295619418801727
Energy: 1.3266062032435422
Energy: 1.4029269938544486
Energy: 1.4168656717642
Energy: 1.1886158280992374
Energy: 1.4021252789178378
Energy: 1.403074251654147
Energy: 1.187662569409113
Energy: 1.404104292739268
Energy: 1.4009926604936267
Energy: 1.1888877199818657
Energy: 1.4026077416863647
Energy: 1.2951132766441216
Energy: 1.1872056403997406
Energy: 1.3950491935270086
Energy: 1.297480113841565
Energy: 1.3193491294907989
Energy: 1.2947858522127467
Energy: 1.293622319108767

minimum gb energy = 1.1866920271947752 eV
minimum distance =  2.29830155676043 Angstroms
sigma value = 33


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

Energy: 1.251625220760016
Energy: 1.3126559025062192
Energy: 1.312744031467826
Energy: 1.3074292115788588
Energy: 1.3117619370740532
Energy: 1.4571786535667628
Energy: 1.4147706348708053
Energy: 1.4161270216169235
Energy: 1.3116771402103462
Energy: 1.3296263959166676
Energy: 1.3148795812310126
Energy: 1.4176667590642171
Energy: 1.4052255533735136
Energy: 1.418682891653283
Energy: 1.446066420404461
Energy: 1.245785602679709
Energy: 1.4164247164493002
Energy: 1.4166621395010757
Energy: 1.4643123824333513
Energy: 1.4171963563560108
Energy: 1.417386738218131
Energy: 1.2502658332086543
Energy: 1.4165267656495022
Energy: 1.4164635155866858
Energy: 1.4057009296258407
Energy: 1.418135832212168
Energy: 1.318717532442714
Energy: 1.3210563146808472
Energy: 1.4370681761161985
Energy: 1.4173071430036697
Energy: 1.3156372716656435
Energy: 1.4798451584328798
Energy: 1.3943903011181777
Energy: 1.316457361155704
Energy: 1.4807245893643863
Energy: 1.4808107677187203
Energy: 1.3153128202773925
Energy: 1.480473439497162
Energy: 1.4798426135164575
Energy: 1.4776919463326934
Energy: 1.4794915858528475
Energy: 1.4800246299536457
Energy: 1.335519482203468
Energy: 1.3112340865248633
Energy: 1.3115750385684994
Energy: 1.3251008923671186
Energy: 1.480802256905366
Energy: 1.3125328011214699
Energy: 1.2450472771988874
Energy: 1.469857319041183
Energy: 1.4157996246167135
Energy: 1.4559147831375512
Energy: 1.4160585215847485
Energy: 1.3157414960970204
Energy: 1.2456199619574673
Energy: 1.4194344168121977
Energy: 1.4169908594656253
Energy: 1.4614457487722923
Energy: 1.4167228464802413
Energy: 1.4558497945351543
Energy: 1.349550374592872
Energy: 1.314643046967495
Energy: 1.4180973082801795
Energy: 1.4046117090351868
Energy: 1.4166659204480918
Energy: 1.322733602279809
Energy: 1.3255460863479165
Energy: 1.3502457195591226
Energy: 1.4913956844234377
Energy: 1.2498395347262583
Energy: 1.312400701710464
Energy: 1.3159343749076386
Energy: 1.3133522320607423
Energy: 1.3161664954617767
Energy: 1.4916021101389645
Energy: 1.2490703291482566
Energy: 1.3211214345666782
Energy: 1.3156541703578615
Energy: 1.247943297601024
Energy: 1.3345833625810557
Energy: 1.4171327958058324
Energy: 1.4044591212894058
Energy: 1.470435539309326
Energy: 1.313520656169851
Energy: 1.3174417197304338
Energy: 1.4690578015555202
Energy: 1.4691729659835182
Energy: 1.4610301201047275
Energy: 1.4689901827259528
Energy: 1.469238423207195
Energy: 1.245848730857554
Energy: 1.4690203197442286
Energy: 1.4737281565397808
Energy: 1.456788757305896
Energy: 1.4693316727756844
Energy: 1.2443841284730717
Energy: 1.2496298209005843
Energy: 1.2492801106668372
Energy: 1.4193114987707562
Energy: 1.4049501492695564
Energy: 1.4690465416872296
Energy: 1.249310141175908
Energy: 1.2500618134434942
Energy: 1.4697865245840347
Energy: 1.4700605409058978
Energy: 1.5875783852266503
Energy: 1.4689340302581915
Energy: 1.4778793095494454
Energy: 1.2474406843541348
Energy: 1.4692042485409342
Energy: 1.4702761119868915
Energy: 1.4052273068381487
Energy: 1.46921053629717
Energy: 1.469689571943616
Energy: 1.316308265430683
Energy: 1.3160364257385988
Energy: 1.4177502350714077
Energy: 1.4198149470040524
Energy: 1.4174089087131343
Energy: 1.314084860576844
Energy: 1.3049651803562092
Energy: 1.3137838798083536
Energy: 1.3691380283144812
Energy: 1.247152452122323
Energy: 1.3162310340650591
Energy: 1.314516104932003
Energy: 1.3253085416572608
Energy: 1.3134286364141783
Energy: 1.4179099961405506
Energy: 1.2466622932007614
Energy: 1.3224911033780937
Energy: 1.3118770621539622
Energy: 1.3513014371776182
Energy: 1.446140788855738
Energy: 1.4162738373442558
Energy: 1.4042338213057817
Energy: 1.4244061440611806
Energy: 1.314479612726073
Energy: 1.2492786845936232
Energy: 1.4183890548450127
Energy: 1.4163358567205515
Energy: 1.469898477039713
Energy: 1.4164979969437117
Energy: 1.470953067045734
Energy: 1.4528647598961608
Energy: 1.435441672743349
Energy: 1.4160918270934313
Energy: 1.465926566760558
Energy: 1.4165381337553478
Energy: 1.3194639511510449
Energy: 1.3185883177187663
Energy: 1.4823039992650204
Energy: 1.479849387482202
Energy: 1.314591255184554
Energy: 1.4800788738250554
Energy: 1.3157034851547489
Energy: 1.3684588325476823
Energy: 1.4794522553831015
Energy: 1.4809548303883782
Energy: 1.3093798581966722
Energy: 1.4799007133921815
Energy: 1.4794188551474525
Energy: 1.3171216797631746
Energy: 1.4799019238036473
Energy: 1.3111092830181248
Energy: 1.3233312060036755
Energy: 1.4805272335263062
Energy: 1.3133682057523834
Energy: 1.4572179316899734
Energy: 1.417884292787984
Energy: 1.3120519431503492
Energy: 1.2476333280337364
Energy: 1.4175985420224335
Energy: 1.433985265794727
Energy: 1.4564570984311207
Energy: 1.4166012480796037
Energy: 1.4581449749408995
Energy: 1.2508647243133963
Energy: 1.415968626711406
Energy: 1.4163962515625688
Energy: 1.4039107635405672
Energy: 1.4190648416176648
Energy: 1.313669246086065
Energy: 1.3445713014505396
Energy: 1.470660604079303
Energy: 1.4168428382606022
Energy: 1.3791923553408243
Energy: 1.390917941265957
Energy: 1.316365350761121
Energy: 1.331304311099151
Energy: 1.3172868315545627
Energy: 1.3174103438099205
Energy: 1.249430806370496
Energy: 1.315937468978263
Energy: 1.3248270070391106
Energy: 1.3091596798554817
Energy: 1.3210764036040876
Energy: 1.4188582423878278
Energy: 1.4203096319680988
Energy: 1.4181518841174265
Energy: 1.317229232645316
Energy: 1.3088035645412552
Energy: 1.3172859224625053
Energy: 1.4172388655632815
Energy: 1.4710782605016008
Energy: 1.4698914145607098
Energy: 1.4692001058758744
Energy: 1.3138062335336764
Energy: 1.4692120831085849
Energy: 1.4187144932754643
Energy: 1.4538574592388342
Energy: 1.4687835508268532
Energy: 1.469482424324422
Energy: 1.2487115006453389
Energy: 1.468990643295878
Energy: 1.4697065582856284
Energy: 1.4113571542389538
Energy: 1.381551614290858
Energy: 1.2493693791620957
Energy: 1.2509146610305715
Energy: 1.481763995303618
Energy: 1.4016198364060029
Energy: 1.4584870369617549
Energy: 1.4701731114188399
Energy: 1.4720747877741978
Energy: 1.2502478451047832
Energy: 1.4688387745814064
Energy: 1.4685462687013267
Energy: 1.4541182571274593
Energy: 1.4695291935673402
Energy: 1.4689621839572498
Energy: 1.2493322532437678
Energy: 1.4683930625187462
Energy: 1.4173735507500802
Energy: 1.4093394677526132
Energy: 1.417065410336002
Energy: 1.3160263774967718
Energy: 1.316844929825248
Energy: 1.3219093171608762
Energy: 1.4164070496486683
Energy: 1.2513837229701346
Energy: 1.3127103503639497
Energy: 1.3163290844391304
Energy: 1.308806071549167
Energy: 1.317482159759435
Energy: 1.4595102548146193

minimum gb energy = 1.2443841284730717 eV
minimum distance =  2.29651493638123 Angstroms
sigma value = 51


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

Energy: 2.375496168188324
Energy: 1.403394314123575
Energy: 1.3995185132474357
Energy: 1.4551485729089353
Energy: 1.4007606274875428
Energy: 1.494759913566923
Energy: 1.4578385577856199
Energy: 1.4040757650835511
Energy: 1.4000068023834142
Energy: 1.45887464521571
Energy: 1.4019321172757453
Energy: 1.4023206600877283
Energy: 1.4711728244792712
Energy: 1.4006278704874064
Energy: 1.505762634733086
Energy: 1.458182059681162
Energy: 1.4002161235144368
Energy: 1.4036236473819712
Energy: 1.458909272411989
Energy: 1.4016552374594582
Energy: 1.4026913029090489
Energy: 1.4624947624447702
Energy: 1.4014167000957611
Energy: 1.4018887429990385
Energy: 1.4532165585831869
Energy: 1.401254396190385
Energy: 1.4009734865345271
Energy: 1.4580932037135863
Energy: 1.5058998266608783
Energy: 1.4036277828618569
Energy: 1.4524963511768076
Energy: 1.5056721180091672
Energy: 1.4022270034204276
Energy: 1.4641540205036803
Energy: 1.50612407833132
Energy: 1.5055305053529402
Energy: 1.4599987767164946
Energy: 1.5046967237023052
Energy: 1.505976196214035
Energy: 1.6627740053018967
Energy: 1.505674657464317
Energy: 1.5064123058690144
Energy: 1.4544732917860024
Energy: 1.4012951981613366
Energy: 1.4025776930116776
Energy: 1.4633916462813845
Energy: 1.5050516717902676
Energy: 1.3987283383390468
Energy: 1.2542604607080368
Energy: 1.5053186860755354
Energy: 1.4001250467001025
Energy: 1.453140042079401
Energy: 1.4001298428038231
Energy: 1.250688362166447
Energy: 1.2501176370505285
Energy: 1.4041885987276994
Energy: 1.4007596865781038
Energy: 1.4578221335531258
Energy: 1.40126314836505
Energy: 1.4957506994916887
Energy: 1.456367597307906
Energy: 1.4030826293800926
Energy: 1.4003155460836614
Energy: 1.456022424124411
Energy: 1.3999821410349478
Energy: 1.4023465101665962
Energy: 1.4607990078335
Energy: 1.4042916412768816
Energy: 1.4001259120884877
Energy: 1.4532763693296757
Energy: 1.4026062461959876
Energy: 1.4041415618511466
Energy: 1.4956392315952578
Energy: 1.4037942994999582
Energy: 1.4047815845915592
Energy: 1.4571795066282216
Energy: 1.4015731793853448
Energy: 1.4031918037820272
Energy: 1.4587931493955757
Energy: 1.4024965063247727
Energy: 1.4011035965492225
Energy: 1.4572771535416054
Energy: 1.4022601869879197
Energy: 1.4030912776256954
Energy: 1.4717374067490592
Energy: 1.5055927892912337
Energy: 1.5047757482483008
Energy: 1.6495844281684402
Energy: 1.505488452580158
Energy: 1.5044041949293767
Energy: 1.473171326192295
Energy: 1.5079480962577614
Energy: 1.5058202611391664
Energy: 1.647463363049283
Energy: 1.5051371693899895
Energy: 1.4040995130164355
Energy: 1.4559256714573947
Energy: 1.4018008931423331
Energy: 1.4024035287428918
Energy: 1.4600370289189313
Energy: 1.4005005840029106
Energy: 1.3999740180427327
Energy: 1.2519186929274606
Energy: 1.4009511913386508
Energy: 1.4043381236111134
Energy: 1.4594306368640522
Energy: 1.4035291256425941
Energy: 1.4952465538272264

minimum gb energy = 1.2501176370505285 eV
minimum distance =  2.30507370523633 Angstroms
sigma value = 19


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

Energy: 1.332154154094572
Energy: 1.4200427851856758
Energy: 1.4202159541013955
Energy: 1.3972251295307678
Energy: 1.4187679431268991
Energy: 1.4933897365368256
Energy: 1.4257929007227406
Energy: 1.535935661314747
Energy: 1.4197211292156753
Energy: 1.3188406850674435
Energy: 1.4189523241314241
Energy: 1.5354473238615052
Energy: 1.3914521131504554
Energy: 1.5403087107543254
Energy: 1.5515928518582651
Energy: 1.330614394330724
Energy: 1.5364072761759295
Energy: 1.3302633990791028
Energy: 1.395007723430847
Energy: 1.537436406498123
Energy: 1.5374471264926899
Energy: 1.3176810619832917
Energy: 1.5354876976860292
Energy: 1.5346222237347045
Energy: 1.3306501582872778
Energy: 1.5355020657336365
Energy: 1.4968071301145949
Energy: 1.321695504624141
Energy: 1.5494948945439484
Energy: 1.5344069991653362
Energy: 1.330743812939358
Energy: 1.5344239449754613
Energy: 1.4214057142560823
Energy: 1.3206483973477756
Energy: 1.5339829829759144
Energy: 1.5356943867776316
Energy: 1.3942213948111057
Energy: 1.5346024983128221
Energy: 1.5599265012606343
Energy: 1.5590897845820133
Energy: 1.5337070952291225
Energy: 1.535116665765482
Energy: 1.39650178229609
Energy: 1.5358169284155854
Energy: 1.421869464666179
Energy: 1.3203522304953454
Energy: 1.5510480162805103
Energy: 1.5128157829379123
Energy: 1.3299873603445753
Energy: 1.4942908670852217
Energy: 1.4240762150835549
Energy: 1.3207914284419695
Energy: 1.4222623524775433
Energy: 1.5407015981866636
Energy: 1.320890335285004
Energy: 1.4234809373146684
Energy: 1.4222678648805331
Energy: 1.414839574936935
Energy: 1.4223761055147284
Energy: 1.542367593421411
Energy: 1.4065324171513807
Energy: 1.535612448346742
Energy: 1.4215974654006374
Energy: 1.395894081744641
Energy: 1.420169821824405
Energy: 1.4829781980216863
Energy: 1.3313595095716713
Energy: 1.5633935918592003
Energy: 1.563788114446574
Energy: 1.3201241047328176
Energy: 1.5636593896115827
Energy: 1.3311709370419256
Energy: 1.7379835941185855
Energy: 1.5642388942893228
Energy: 1.564389740788877
Energy: 1.3303534324740829
Energy: 1.5641310908103017
Energy: 1.5635689837693494
Energy: 1.3317750795788166
Energy: 1.5167700104777813
Energy: 1.478479600884368
Energy: 1.3964266941769052
Energy: 1.5349536313052197
Energy: 1.3196998012938497
Energy: 1.4306924178545262
Energy: 1.421884245321705
Energy: 1.5411643189574902
Energy: 1.3294608105878034
Energy: 1.4201452271851736
Energy: 1.425575515845158
Energy: 1.3952022555333419
Energy: 1.4205355999549183
Energy: 1.5017405106862411
Energy: 1.3320369656833682
Energy: 1.42261494061834
Energy: 1.4266226403710232
Energy: 1.318600534891242
Energy: 1.4207072248292174
Energy: 1.5355420465366505
Energy: 1.3958021462078865
Energy: 1.533845382859258
Energy: 1.418618723694706
Energy: 1.3182052231185544
Energy: 1.539607881148657
Energy: 1.5368143907732954
Energy: 1.3310881578503428
Energy: 1.537117025345133
Energy: 1.5041230436990918
Energy: 1.329849580355474
Energy: 1.5377506080582088
Energy: 1.5406349669304145
Energy: 1.6370431475637104
Energy: 1.5444446322678107
Energy: 1.4293631853632172
Energy: 1.3181628448115528
Energy: 1.494029044819555
Energy: 1.5059875743654965
Energy: 1.3307485172906863
Energy: 1.5375111455709098
Energy: 1.3183937922752504
Energy: 1.3238853114530935
Energy: 1.5352843594415047
Energy: 1.536986419604943
Energy: 1.3309832175240073
Energy: 1.5376648053753248
Energy: 1.422648923008844
Energy: 1.3264365758118943
Energy: 1.5375301170049107
Energy: 1.5361561937698613
Energy: 1.3308671419477855
Energy: 1.5354943537886716
Energy: 1.5615692182238352
Energy: 1.3198511327127742
Energy: 1.4201262429615658
Energy: 1.5344491818791028
Energy: 1.3966714433471406
Energy: 1.5340943946869594
Energy: 1.419272969647034
Energy: 1.3945926347622182
Energy: 1.4236368013029452
Energy: 1.5415435611694484
Energy: 1.3269884745898008
Energy: 1.4285236562597134
Energy: 1.4246292673231216
Energy: 1.44525776837385
Energy: 1.4289082646235853
Energy: 1.537951113411485
Energy: 1.330006208807794
Energy: 1.4209342946274537
Energy: 1.4298715974498823
Energy: 1.3314095115868771
Energy: 1.424469678648322
Energy: 1.5362060269188098
Energy: 1.3960932999151279
Energy: 1.5334113268966245
Energy: 1.4229626551034604
Energy: 1.318954198502963
Energy: 1.563697717836515
Energy: 1.563104693914506
Energy: 1.3312484431807587
Energy: 1.5638964632393217
Energy: 1.5632908407881805
Energy: 1.3312023468202805
Energy: 1.5637045173444368
Energy: 1.5640712465678832
Energy: 1.3192518048109023
Energy: 1.5633671641136933
Energy: 1.486981209156523
Energy: 1.4058727231005337
Energy: 1.5348879611058492
Energy: 1.4209754409811484
Energy: 1.3951284738080412
Energy: 1.4979888232907248
Energy: 1.4797002086219466
Energy: 1.3286239138561096
Energy: 1.425204283534201
Energy: 1.4226777493470804
Energy: 1.426285608601777
Energy: 1.421706141846554
Energy: 1.560494861629861

minimum gb energy = 1.3176810619832917 eV
minimum distance =  2.30233237325017 Angstroms
sigma value = 27


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

Energy: 1.7640962017563961
Energy: 1.4269400298443957
Energy: 1.2788706028055663
Energy: 1.2790458682405281
Energy: 1.4264381943998778
Energy: 1.4968257154464482
Energy: 1.2776062019340877
Energy: 1.425895107478753
Energy: 1.2779390179076466
Energy: 1.2774853812955005
Energy: 1.4302602467762378
Energy: 1.4259431693609443
Energy: 1.2812270794298317
Energy: 1.437346670335022
Energy: 1.4990606155502202
Energy: 1.2786299556001506
Energy: 1.43290972179696
Energy: 1.280853445008249
Energy: 1.4695101187416595
Energy: 1.4261998137048548
Energy: 1.4288170255527268
Energy: 1.2818485530021364
Energy: 1.428692639944885
Energy: 1.4270804910233053
Energy: 1.278670462786277
Energy: 1.425892895700081
Energy: 1.4339641281936273
Energy: 1.279302346837888
Energy: 1.5002765481853673
Energy: 1.28114054022733
Energy: 1.2825255387143952
Energy: 1.4267145190701767
Energy: 1.4254531090268712
Energy: 1.2781978321760008
Energy: 1.5003530150838407
Energy: 1.279565650158971
Energy: 1.2791644512820017
Energy: 1.4266697954145267
Energy: 1.4992458921373188
Energy: 1.7498503047177454
Energy: 1.4268115521904159
Energy: 1.278948906830427
Energy: 1.2771305866805576
Energy: 1.4320573694876573
Energy: 1.4261988038493871
Energy: 1.2781315349570974
Energy: 1.4282007074480119
Energy: 1.2778052305042473
Energy: 1.2780728013034122
Energy: 1.4287533356076678
Energy: 1.4339703503303611
Energy: 1.2817957499429704
Energy: 1.4352224370571052
Energy: 1.4977759720209431
Energy: 1.4554444021171784
Energy: 1.4280010397428493
Energy: 1.4303595902651491
Energy: 1.2801384980918136
Energy: 1.4267647381608484
Energy: 1.435354525433967
Energy: 1.2794236380802695
Energy: 1.5001091719503128
Energy: 1.4301226928076196
Energy: 1.2791482399136371
Energy: 1.4273391485206943
Energy: 1.2787841688805963
Energy: 1.2777295957757018
Energy: 1.4971710686855786
Energy: 1.426962665263761
Energy: 1.2829960781623369
Energy: 1.4268405324601696
Energy: 1.4266481750736622

minimum gb energy = 1.2771305866805576 eV
minimum distance =  2.31480739894803 Angstroms
sigma value = 9


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

Energy: 1.358215345732174
Energy: 1.419273052341666
Energy: 1.3690879196631867
Energy: 1.3687979048468446
Energy: 1.42044162197925
Energy: 1.532144678105145
Energy: 1.4005901608289344
Energy: 1.5916206810783387
Energy: 1.3725353619492844
Energy: 1.3896693250461283
Energy: 1.4371117497132928
Energy: 1.4562088891814342
Energy: 1.392254118514352
Energy: 1.5895229512651383
Energy: 1.3691245235648988
Energy: 1.3691178937567579
Energy: 1.5916689550398664
Energy: 1.4241601983201324
Energy: 1.355643793983937
Energy: 1.5854895113386684
Energy: 1.5868127326758796
Energy: 1.3757118238750767
Energy: 1.5886883770792646
Energy: 1.5075539701572886
Energy: 1.4980500320918795
Energy: 1.5887690111017307
Energy: 1.3668774766241967
Energy: 1.388594567022173
Energy: 1.5877678916174278
Energy: 1.3674913902705097
Energy: 1.3953818861996798
Energy: 1.3748178823537036
Energy: 1.589923281709409
Energy: 1.3958102468274634
Energy: 1.5879629208833324
Energy: 1.3756014330860735
Energy: 1.3700490192941568
Energy: 1.4189146328857523
Energy: 1.515158925055367
Energy: 1.5797431221928913
Energy: 1.4131157693176326
Energy: 1.367247872813314
Energy: 1.3775514022616695
Energy: 1.4287368468590378
Energy: 1.5920806649605326
Energy: 1.4003355053097182
Energy: 1.541274080854161
Energy: 1.3920772044834278
Energy: 1.3727979260849714
Energy: 1.5628785322318188
Energy: 1.5029403212739167
Energy: 1.3918098202518872
Energy: 1.559954963394692
Energy: 1.368645269943
Energy: 1.38210236443581
Energy: 1.5645420077531946
Energy: 1.5612247117564915
Energy: 1.3931157293502456
Energy: 1.5612813546732607
Energy: 1.4534090158392792
Energy: 1.3726503331289057
Energy: 1.5614554894397215
Energy: 1.469946497076301
Energy: 1.3906653463979401
Energy: 1.5665547070521288
Energy: 1.365959656108492
Energy: 1.3730742650175984
Energy: 1.561210012110252
Energy: 1.486199905944606
Energy: 1.3851384360332117
Energy: 1.5086239540763615
Energy: 1.477218516268693
Energy: 1.5284807508999518
Energy: 1.5060560275614288
Energy: 1.4671069851128922
Energy: 1.398010880304709
Energy: 1.5009047310809795
Energy: 1.5636082650158734
Energy: 1.3725095488125982
Energy: 1.56005051550359
Energy: 1.474084325860628
Energy: 1.403051498442268
Energy: 1.4703788702481184
Energy: 1.4707301589050923
Energy: 1.3743622371836444
Energy: 1.5614349126288567
Energy: 1.3961923599293657
Energy: 1.394605861748233
Energy: 1.470333223727145
Energy: 1.3766139665933137
Energy: 1.7101256527319457
Energy: 1.499638835992784
Energy: 1.4635664051786417
Energy: 1.4023782101908686
Energy: 1.5165626445142997
Energy: 1.535182925965336
Energy: 1.348710537968266
Energy: 1.5071470644987763
Energy: 1.3971569054587052
Energy: 1.3990692813706207
Energy: 1.5131592437242976
Energy: 1.4146513398413667
Energy: 1.3779583319662119
Energy: 1.5639790646297056
Energy: 1.5037308377238068
Energy: 1.3737169200118535
Energy: 1.5644775197499188
Energy: 1.3772720095880682
Energy: 1.3683443921080334
Energy: 1.567244002818977
Energy: 1.5629927202677674
Energy: 1.51494325456018
Energy: 1.5669475589265398
Energy: 1.372791527854414
Energy: 1.3855394247306394
Energy: 1.561271589975177
Energy: 1.5011276929543012
Energy: 1.3723667081894728
Energy: 1.5609227225836817
Energy: 1.5743823014787235
Energy: 1.366709157605671
Energy: 1.370383070657545
Energy: 1.516686572124055
Energy: 1.4033040730675304
Energy: 1.6391355159442997
Energy: 1.3895762727076624
Energy: 1.3699772757686988
Energy: 1.3707352418957266
Energy: 1.3835031548710495
Energy: 1.3529860657634105
Energy: 1.4118939432394646
Energy: 1.371102290570308
Energy: 1.3765623740877835
Energy: 1.3782672551683846
Energy: 1.5911027608027968
Energy: 1.3489169761714972
Energy: 1.4585787189244916
Energy: 1.3705460841700505
Energy: 1.399843922375377
Energy: 1.412607661633309
Energy: 1.36842740269827
Energy: 1.3887851897470838
Energy: 1.589383960677587
Energy: 1.3691443265388172
Energy: 1.391504099196376
Energy: 1.5900793283589971
Energy: 1.3700675634768016
Energy: 1.3687513379252398
Energy: 1.590620639739349
Energy: 1.589929643714057
Energy: 1.3864136733917818
Energy: 1.594747484155402
Energy: 1.5863628581079585
Energy: 1.350921629400396
Energy: 1.5871580960109863
Energy: 1.3690232038807824
Energy: 1.405102850203048
Energy: 1.589554840524877
Energy: 1.3671780084670297
Energy: 1.3946178551287467
Energy: 1.4113661194172746
Energy: 1.404197575038725
Energy: 1.3837497242973045
Energy: 1.369960028487285
Energy: 1.366807446977573
Energy: 1.3720793835507383
Energy: 1.3675812573206756
Energy: 1.3867640084436446
Energy: 1.3777481244030947
Energy: 1.3680389170589393
Energy: 1.4436652033894875
Energy: 1.3878841612496202
Energy: 1.3700874606854623
Energy: 1.5158578377653829
Energy: 1.3871540418747539
Energy: 1.559505246404884
Energy: 1.3676842219158292
Energy: 1.3705943910245022
Energy: 1.3699370053641207
Energy: 1.408244061023889
Energy: 1.394556163253023
Energy: 1.5653842041625528
Energy: 1.5658085286877637
Energy: 1.370605817285455
Energy: 1.5744695198329515
Energy: 1.5019467285670711
Energy: 1.4043824399723877
Energy: 1.5633125541551156
Energy: 1.371590027837029
Energy: 1.3740737114926356
Energy: 1.5603233631615032
Energy: 1.5881598775264367
Energy: 1.4034303568057502
Energy: 1.509993850889557
Energy: 1.4590961306329946
Energy: 1.376191006289356
Energy: 1.5605701083945696
Energy: 1.3682160132860302
Energy: 1.3904077735771927
Energy: 1.4715451224302338
Energy: 1.517735766564362
Energy: 1.3767118487336774
Energy: 1.4689279324194517
Energy: 1.390895133717001
Energy: 1.4088811601061602
Energy: 1.5265718147936036
Energy: 1.5610949380949568
Energy: 1.369434921168869
Energy: 1.5218016147225781
Energy: 1.4899781544536363
Energy: 1.3919232900178042
Energy: 1.3924685037903906
Energy: 1.534807785161453
Energy: 1.3579789195869296
Energy: 1.5359421141145675
Energy: 1.4244187107848885
Energy: 1.4203539232104128
Energy: 1.5325650939966318
Energy: 1.5600163534796612
Energy: 1.3530532188345517
Energy: 1.4714947952862882
Energy: 1.4849128491959063
Energy: 1.3963308124092013
Energy: 1.5071669971456325
Energy: 1.5696510789001163
Energy: 1.3948654580793867
Energy: 1.5014176035867424
Energy: 1.3938010726369428
Energy: 1.392201594400651
Energy: 1.5063823036900392
Energy: 1.5607468470824197
Energy: 1.3752984127209844
Energy: 1.5606167719799158
Energy: 1.3779389444106178
Energy: 1.4065802938612229
Energy: 1.5670720124680078
Energy: 1.3677511183854674
Energy: 1.3707524057186156
Energy: 1.5605341388103846
Energy: 1.5623268555926582
Energy: 1.4793733112940093
Energy: 1.565652639729302
Energy: 1.564063690375962
Energy: 1.369142285779041
Energy: 1.5706039862462406
Energy: 1.4023989598518873
Energy: 1.3878865010491133
Energy: 1.566639417528239
Energy: 1.3664937166819928
Energy: 1.3727071943250533
Energy: 1.5150002800633042
Energy: 1.403756339111061
Energy: 1.3470803962520526
Energy: 1.5366000776384297
Energy: 1.4052790171657896
Energy: 1.3865238640763144
Energy: 1.4295985496464843
Energy: 1.6018315639913827

minimum gb energy = 1.3470803962520526 eV
minimum distance =  2.2962348715523 Angstroms
sigma value = 57


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

Energy: 2.547017916056729
Energy: 1.397433595027031
Energy: 1.259182364682104
Energy: 1.259020899903897
Energy: 1.389121564371784
Energy: 1.4834393420274026
Energy: 1.262228710640537
Energy: 1.5004203874136701
Energy: 1.4035157264745255
Energy: 1.2736533421657739
Energy: 1.414796894467294
Energy: 1.3937154979310604
Energy: 1.2743383086359177
Energy: 1.5012812822913224
Energy: 1.4296543285284364
Energy: 1.260075648710433
Energy: 1.4996144775571802
Energy: 1.397727306604675
Energy: 1.2575081071256766
Energy: 1.4343368167613697
Energy: 1.5006965399158736
Energy: 1.2605599422095803
Energy: 1.5037566596290928
Energy: 1.256138234211023
Energy: 1.2598543094438355
Energy: 1.4275632048080023
Energy: 1.489010960890234
Energy: 1.2750581248905972
Energy: 1.5058431547773634
Energy: 1.3884362158922552
Energy: 1.2731354472052199
Energy: 1.4103630672121894
Energy: 1.4992051743875852
Energy: 1.261862438237325
Energy: 1.4052567522767376
Energy: 1.4012581878080288
Energy: 1.25856272686939
Energy: 1.3928244360963409
Energy: 1.3885972677281397
Energy: 1.4289343919042081
Energy: 1.3897811695179436
Energy: 1.2605764495649734
Energy: 1.2631716832811632
Energy: 1.4045599289524007
Energy: 1.50147149357216
Energy: 1.2638496653432956
Energy: 1.4004736423424544
Energy: 1.3977630049818508
Energy: 1.2595931771731903
Energy: 1.260181734604333
Energy: 1.4893355003801745
Energy: 1.26325941442921
Energy: 1.4933206304991185
Energy: 1.2597553217314876
Energy: 1.26125272992811
Energy: 1.2606562492049838
Energy: 1.5406790914000617
Energy: 1.2592057170832027
Energy: 1.420230395101881
Energy: 1.259837902922045
Energy: 1.2653487326477166
Energy: 1.3979600625618012
Energy: 1.4958722950524455
Energy: 1.2597632998875665
Energy: 1.4445625989188517
Energy: 1.2623763365499396
Energy: 1.2606356947383817
Energy: 1.3886087536138614
Energy: 1.4905405587757712
Energy: 1.2746085214569323
Energy: 1.4992452927360818
Energy: 1.2602082916217672
Energy: 1.2634311696040115
Energy: 1.4966703132583352
Energy: 1.4272369665542417
Energy: 1.2616408917599073
Energy: 1.4973571871284321
Energy: 1.5045413564933
Energy: 1.266105137418403
Energy: 1.4984540303866192
Energy: 1.4340801582561367
Energy: 1.2582006218289343
Energy: 1.5228154230675743
Energy: 1.259927254391995
Energy: 1.2616839289242254
Energy: 1.505799400394808
Energy: 1.3964407317431389
Energy: 1.2647493729999584
Energy: 1.392449837518024
Energy: 1.4989557204319652
Energy: 1.2570110875193719
Energy: 1.3986811382805122
Energy: 1.390111629859734
Energy: 1.261119240768399
Energy: 1.3901371560999334
Energy: 1.4278628315604385
Energy: 1.256439043906222
Energy: 1.44325596522409
Energy: 1.4061794417464009
Energy: 1.2623018719341534
Energy: 1.431154448643495
Energy: 1.4982587291681113
Energy: 1.2752248612972388
Energy: 1.4871483371752938
Energy: 1.2597132100775934
Energy: 1.2584978174007968
Energy: 1.3885906420335468
Energy: 1.4958171946230268
Energy: 1.258213109562312
Energy: 1.4965605201138457
Energy: 1.4116525038093815
Energy: 1.2618785300121458
Energy: 1.4029936128270093
Energy: 1.4834431943062603

minimum gb energy = 1.256138234211023 eV
minimum distance =  2.29798322946123 Angstroms
sigma value = 11


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

Energy: 2.0382600564918163
Energy: 1.1883531511232264
Energy: 1.1882091016093796
Energy: 1.1913134433331891
Energy: 1.2096304653819776
Energy: 1.1836011445602876
Energy: 1.1815634691649406
Energy: 1.3423059304886382
Energy: 1.2918782330343288
Energy: 1.1915250193016398
Energy: 1.3001622590734938
Energy: 1.436261406313445
Energy: 1.189599099686487
Energy: 1.4384180363423718
Energy: 1.3341981743683364
Energy: 1.1866805614063654
Energy: 1.4125653638405475
Energy: 1.3464191064582114
Energy: 1.1764964181128852
Energy: 1.4169128821749533
Energy: 1.3344741513961174
Energy: 1.1820523529559588
Energy: 1.3324902557899945
Energy: 1.1990311767329864
Energy: 1.1757161958752225
Energy: 1.444655410726011
Energy: 1.331698890602576
Energy: 1.1941111599179326
Energy: 1.4222644966845175
Energy: 1.204956229986038
Energy: 1.191801263684978
Energy: 1.409391976679239
Energy: 1.33817963640015
Energy: 1.1818395085668214
Energy: 1.4144394860816543
Energy: 1.34061084943646
Energy: 1.1809074337501069
Energy: 1.3311093158076057
Energy: 1.3460083861627734
Energy: 1.3421135318194886
Energy: 1.331076686511995
Energy: 1.1854171575652799
Energy: 1.175539731690759
Energy: 1.3981335306705907
Energy: 1.4214972633787175
Energy: 1.182034148402442
Energy: 1.4102051643384401
Energy: 1.339511464708327
Energy: 1.1816415921218089
Energy: 1.1944278082183835
Energy: 1.4398004681956613
Energy: 1.195505662288266
Energy: 1.329988926203811
Energy: 1.1845442617059065
Energy: 1.1799589989483132
Energy: 1.1856775879512973
Energy: 1.3489914919819967
Energy: 1.1777571119384878
Energy: 1.3615779204721508
Energy: 1.1887179425299519
Energy: 1.1932558879436113
Energy: 1.1931291337770882
Energy: 1.3394272832272833
Energy: 1.1803791249827071
Energy: 1.3431932794390715
Energy: 1.1887184398094974
Energy: 1.1867879514221826
Energy: 1.186291022760134
Energy: 1.4390086973076808
Energy: 1.2050599819750185
Energy: 1.1904738156185264
Energy: 1.1837519560347425
Energy: 1.1903341631011248
Energy: 1.204826132123386
Energy: 1.4159269758905015
Energy: 1.1828534574467269
Energy: 1.3792179239009834
Energy: 1.190263938462985
Energy: 1.1790547807114915
Energy: 1.1859560246136025
Energy: 1.4511973486309857
Energy: 1.186206085314935
Energy: 1.210255754629489
Energy: 1.1817864281436987
Energy: 1.1830379694702693
Energy: 1.3063276383556957
Energy: 1.4484447170007495
Energy: 1.1946091442383542
Energy: 1.3293890558177912
Energy: 1.2022896673826404
Energy: 1.1859567678267837
Energy: 1.3481122242801056
Energy: 1.3431637845221933
Energy: 1.1927413676020981
Energy: 1.4128495628423063
Energy: 1.3404408646271353
Energy: 1.18164995742026
Energy: 1.3342336684262026
Energy: 1.4537295782923356
Energy: 1.1804034112617692
Energy: 1.3366969357656302
Energy: 1.1934372938989046
Energy: 1.1940916849217336
Energy: 1.4106852424228589
Energy: 1.3399820530806805
Energy: 1.1790456979576707
Energy: 1.407974234118805
Energy: 1.1840722731246223
Energy: 1.1800181897088624
Energy: 1.4197363892869221
Energy: 1.3390164850305
Energy: 1.1952581265947442
Energy: 1.4137287403637544
Energy: 1.3363551672604452
Energy: 1.1790979929516805
Energy: 1.3361465613431849
Energy: 1.3294963954382375
Energy: 1.2018054684125903
Energy: 1.3311451462476556
Energy: 1.4796221824095093
Energy: 1.1831144803871103
Energy: 1.4105471862599028
Energy: 1.33890840465701
Energy: 1.1962981762798068
Energy: 1.4098378112542977
Energy: 1.342955680859638
Energy: 1.1820117398617689
Energy: 1.3402550734442344
Energy: 1.2951093118761334
Energy: 1.1813344908893277
Energy: 1.3011881620918913
Energy: 1.436305764515829
Energy: 1.1783854003053766
Energy: 1.40926064527279
Energy: 1.1826305413954843
Energy: 1.178981914455507
Energy: 1.1849612326723806
Energy: 1.342988030938858
Energy: 1.1764847022530969
Energy: 1.3864473888942843
Energy: 1.3066595519331583
Energy: 1.197557269001412
Energy: 1.3185469723264631
Energy: 1.4392569772059691
Energy: 1.1987281535905192
Energy: 1.32967557920549
Energy: 1.2154588913040607
Energy: 1.1860291419366698
Energy: 1.18202534332674
Energy: 1.4689067042533175
Energy: 1.1781534097762525
Energy: 1.2948781961451534
Energy: 1.1843538662949544
Energy: 1.1840388390923597
Energy: 1.3046087141088996
Energy: 1.4254503793301376

minimum gb energy = 1.175539731690759 eV
minimum distance =  2.29024889466709 Angstroms
sigma value = 41


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

Energy: 2.3745059106974464
Energy: 1.085539029884316
Energy: 1.0871014481500343
Energy: 1.1025777746901846
Energy: 1.0853087886111243
Energy: 1.335011578610066
Energy: 1.0896179013593041
Energy: 1.3192942441095086
Energy: 1.1093068434270215
Energy: 1.108118619657845
Energy: 1.1834529714940778
Energy: 1.327883336877558
Energy: 1.0936526433083358
Energy: 1.3220929094240286
Energy: 1.2213053807942464
Energy: 1.085579207861088
Energy: 1.2222863063508813
Energy: 1.322889004629908
Energy: 1.0794634680442179
Energy: 1.225408803621283
Energy: 1.220569344979299
Energy: 1.1123014631318302
Energy: 1.2211947195296435
Energy: 1.3169225635327948
Energy: 1.0899025355730325
Energy: 1.2213167783466152
Energy: 1.2214865826170431
Energy: 1.1104768188119842
Energy: 1.2897812554530759
Energy: 1.315730590753195
Energy: 1.0983430639765448
Energy: 1.3224136875725305
Energy: 1.2197401146593856
Energy: 1.241178158263133
Energy: 1.3222775306247287
Energy: 1.3174313866018672
Energy: 1.0994631126432568
Energy: 1.3221838614114405
Energy: 1.3214320288552295
Energy: 1.2478472359024293
Energy: 1.3237677751979633
Energy: 1.2195152385696117
Energy: 1.0879594402861261
Energy: 1.3215448619433898
Energy: 1.2472652706641292
Energy: 1.2386198229068315
Energy: 1.3223315988475233
Energy: 1.3222938684492276
Energy: 1.0891022014086322
Energy: 1.2197931451958328
Energy: 1.3217502574470579
Energy: 1.0943223529393404
Energy: 1.3224125467537187
Energy: 1.2336684517707062
Energy: 1.0885326571564122
Energy: 1.2212137469459645
Energy: 1.2187030864408097
Energy: 1.220779844950425
Energy: 1.2224822895681562
Energy: 1.0821899091495006
Energy: 1.1139754732031524
Energy: 1.221579986811727
Energy: 1.2837855348832719
Energy: 1.2427442786270182
Energy: 1.2863591113065032
Energy: 1.222953138079164
Energy: 1.0897070907189883
Energy: 1.2200124206794134
Energy: 1.3164794442876642
Energy: 1.3219269804345295
Energy: 1.2224550847471298
Energy: 1.083239711408229
Energy: 1.0877853288953356
Energy: 1.205576100560535
Energy: 1.3173303033326285
Energy: 1.2232500956183139
Energy: 1.174530795836095
Energy: 1.0895813716678882
Energy: 1.0809252317806832
Energy: 1.0826764180212465
Energy: 1.2193862748686566
Energy: 1.3218458065039242
Energy: 1.0824795997837287
Energy: 1.0825883322907832
Energy: 1.0920629549432546
Energy: 1.087640662518154
Energy: 1.3209580739684794
Energy: 1.2230638893462193
Energy: 1.0839449930369505
Energy: 1.0841545880334293
Energy: 1.0850681279334191
Energy: 1.0862381914624772
Energy: 1.3200607363192773
Energy: 1.3210138628026538
Energy: 1.0826805093571459
Energy: 1.084694392568777
Energy: 1.079942296363847
Energy: 1.0828814189967813
Energy: 1.08522093639777
Energy: 1.3153008425835457
Energy: 1.0861210285454446
Energy: 1.086108239006973
Energy: 1.0980068242885037
Energy: 1.0914619328905721
Energy: 1.238329457378506
Energy: 1.0780280811285612
Energy: 1.107448668213383
Energy: 1.0847698548702915
Energy: 1.0863011997403147
Energy: 1.2187150142068142
Energy: 1.3164624600067325
Energy: 1.2621151540828173
Energy: 1.2212447846318695
Energy: 1.0837249861229068
Energy: 1.1144204249916723
Energy: 1.2274589492273307
Energy: 1.2891969758670572
Energy: 1.3163575239685812
Energy: 1.295967916708862
Energy: 1.2229012065692266
Energy: 1.0906085493210649
Energy: 1.2206050838595484
Energy: 1.3234371614590017
Energy: 1.314919258277827
Energy: 1.2218191873398287
Energy: 1.0837746427727155
Energy: 1.1105397396500867
Energy: 1.0833872771486444
Energy: 1.32788044556984
Energy: 1.085967719305535
Energy: 1.3226401049646501
Energy: 1.231772226606249
Energy: 1.1124374076107908
Energy: 1.3246098010489482
Energy: 1.2340777547781325
Energy: 1.2302980473254492
Energy: 1.3220209980236615
Energy: 1.321277140971459
Energy: 1.1135298870765309
Energy: 1.3221588787692695
Energy: 1.3207789066586886
Energy: 1.0806978320973586
Energy: 1.321194597415962
Energy: 1.2212308856956233
Energy: 1.1118954591878583
Energy: 1.32132978200669
Energy: 1.2200564334287367
Energy: 1.2408176124597086
Energy: 1.3224561834559836
Energy: 1.3161288248876688
Energy: 1.0829435580410571
Energy: 1.3062527872003578
Energy: 1.2220817490131721
Energy: 1.1117969705015636
Energy: 1.2229998783967642
Energy: 1.2474006113451992
Energy: 1.0848158068990785
Energy: 1.2827890993114188
Energy: 1.2203645309033575
Energy: 1.104759357938604
Energy: 1.2223000586168375
Energy: 1.2203977129342785
Energy: 1.099246369574266
Energy: 1.21894024545174
Energy: 1.2221332316623363
Energy: 1.0868095860673315
Energy: 1.223308503825303
Energy: 1.3227328504297524
Energy: 1.0922294825738375
Energy: 1.2191194107045968
Energy: 1.181736958748303
Energy: 1.0899272125258788
Energy: 1.1910918968104054
Energy: 1.3218120459987432
Energy: 1.0782061209966751
Energy: 1.0822978106424026
Energy: 1.0874106520286768
Energy: 1.0833743321154863
Energy: 1.083003737056896
Energy: 1.2154581621968492
Energy: 1.0905183867285355
Energy: 1.085868233560973
Energy: 1.1750340280348752
Energy: 1.0910708314132567
Energy: 1.1792356645359279
Energy: 1.3169792725908065
Energy: 1.089054098950157
Energy: 1.2226836453174188
Energy: 1.0826217388835624
Energy: 1.0829881575611815
Energy: 1.0830209120874197
Energy: 1.318860415683367
Energy: 1.0750122331927312
Energy: 1.0857276355496261
Energy: 1.088551597268753
Energy: 1.0882504685143137
Energy: 1.0841088713361944
Energy: 1.2578995872008645

minimum gb energy = 1.0750122331927312 eV
minimum distance =  2.28987276650086 Angstroms
sigma value = 33


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

Energy: 2.2769195570730054
Energy: 1.004096070834686
Energy: 0.9996823294456901
Energy: 0.9928641118562709
Energy: 0.9978363752003355
Energy: 0.9572852008331538
Energy: 1.110805763825286
Energy: 1.1570998399179129
Energy: 0.9701392388030352
Energy: 1.028380648270855
Energy: 0.962230644936355
Energy: 1.0550199871674943
Energy: 1.1358677343278905
Energy: 1.1502747446737636
Energy: 1.0505498414805268
Energy: 1.0894862957306424
Energy: 1.052114714981248
Energy: 1.1476372701898763
Energy: 1.1195971917640468
Energy: 1.190536773144279
Energy: 1.0499695326176552
Energy: 1.0708842716120974
Energy: 1.0559047787749911
Energy: 1.135917127831529
Energy: 1.1319769860685704
Energy: 1.059491753672049
Energy: 1.0582260952115219
Energy: 0.9608935488019045
Energy: 1.0558523391075791
Energy: 1.1534354994617861
Energy: 1.1052536408063913
Energy: 1.1621778343070828
Energy: 1.0767678216267818
Energy: 1.1875240267085232
Energy: 1.148245213535155
Energy: 1.1620309059995984
Energy: 1.1382788931238295
Energy: 1.161519795508177
Energy: 1.1623875485304584
Energy: 1.077591393860357
Energy: 1.1593365505991868
Energy: 1.1709366604358693
Energy: 1.4674930168037765
Energy: 1.1726196577865595
Energy: 1.063606480001562
Energy: 1.1531049113601164
Energy: 1.1502839945557015
Energy: 1.1646729992140454
Energy: 1.1350139238529027
Energy: 1.1744272638834616
Energy: 1.1618758303524892
Energy: 1.17152903855514
Energy: 1.1619628307987406
Energy: 1.1682199484680331
Energy: 1.1709126379131818
Energy: 1.1629111278508593
Energy: 1.160428234082107
Energy: 1.1560583985823134
Energy: 1.1614652639561571
Energy: 1.1622711059792568
Energy: 1.1320267001312037
Energy: 1.1626372949982962
Energy: 1.1648779535576588
Energy: 1.163031788348014
Energy: 1.163125341496764
Energy: 1.164357522284796
Energy: 1.1161587019332995
Energy: 1.1672621298670305
Energy: 1.1821556122892543
Energy: 1.1498846012300739
Energy: 1.162660215122855
Energy: 1.1633427837291026
Energy: 1.1320674108590763
Energy: 1.1527739673623616
Energy: 1.1620962246679098
Energy: 1.1689613981600604
Energy: 1.166045064464831
Energy: 1.149388081361292
Energy: 1.1844302678987848
Energy: 1.146695712732254
Energy: 1.1669769502174463
Energy: 1.1660746522764458
Energy: 1.1485799114606825
Energy: 1.074106304698821
Energy: 1.2052270670851497
Energy: 1.1602710879338225
Energy: 1.1713396396717235
Energy: 1.1655572438572037
Energy: 1.1580880017728177
Energy: 1.1615528468101075
Energy: 1.110378003975082
Energy: 1.069432149903058
Energy: 1.1480867696370967
Energy: 1.165358625529217
Energy: 1.15038683766797
Energy: 1.0726468449598832
Energy: 1.040410245839494
Energy: 0.9555729983079926
Energy: 1.147451404713691
Energy: 1.1517053922921816
Energy: 1.0534723983303766
Energy: 0.9573483692286259
Energy: 1.078500370373143
Energy: 1.1205183894803394
Energy: 1.0737311255277096
Energy: 1.1653461782704277
Energy: 1.0608237056536804
Energy: 1.0582522169289987
Energy: 1.0674966354281428
Energy: 1.0505521110881535
Energy: 1.1470559801888123
Energy: 1.1614735144097716
Energy: 1.132756355663926
Energy: 0.9564058342543197
Energy: 1.031826401847347
Energy: 0.9584559365334849
Energy: 1.0709197853660513
Energy: 1.176279378115022
Energy: 0.962987725133736
Energy: 0.9652293242059592
Energy: 0.9530342664807094
Energy: 0.959370116047173
Energy: 1.054875130344152
Energy: 1.1613874800679176
Energy: 0.9580645064319279
Energy: 0.9573415725791437
Energy: 0.9608923470643081
Energy: 0.9647723570509084
Energy: 1.1390680970108829
Energy: 1.1598630857980445
Energy: 0.9534289129487755
Energy: 0.9619413198083673
Energy: 0.9638147425214025
Energy: 0.9655233460948
Energy: 1.1488552019473095
Energy: 1.16315040170701
Energy: 1.055249922495716
Energy: 0.9599937698393276
Energy: 0.9549447656335749
Energy: 0.9696356372837482
Energy: 1.1347160579358342
Energy: 1.1332199658133457
Energy: 0.9642615624320015
Energy: 0.9551098111945349
Energy: 1.0340060057492595
Energy: 0.9780219297269142
Energy: 1.0688821821573218
Energy: 1.1628802477316458
Energy: 1.0565739845015993
Energy: 0.9670634264558164
Energy: 1.0730962558969015
Energy: 1.0527621331514945
Energy: 1.146204462705266
Energy: 1.1602154249469856
Energy: 1.1381318893014787
Energy: 0.9569198471079582
Energy: 1.0752304397226067
Energy: 1.1176333043550124
Energy: 1.1467582039148385
Energy: 1.1826056676531904
Energy: 1.1599826128224104
Energy: 1.0532942736222266
Energy: 1.0415946185529283
Energy: 1.1173565833414734
Energy: 1.1418781208939364
Energy: 1.1702574121204672
Energy: 1.060709303429469
Energy: 0.9552414345050517
Energy: 1.1158293530864154
Energy: 1.0764460197845367
Energy: 1.1480449898502958
Energy: 1.1631752417882113
Energy: 1.1496525797022359
Energy: 1.0560440216396467
Energy: 0.9629175496875254
Energy: 1.1673260067473694
Energy: 1.1754924535807156
Energy: 1.1671424786341522
Energy: 1.1612442749500658
Energy: 1.176415774860475
Energy: 1.1520187420114314
Energy: 1.1492637343173795
Energy: 1.1641892000489842
Energy: 1.1586615408281726
Energy: 1.1614801283783394
Energy: 1.0738429791517305
Energy: 1.1437254757313682
Energy: 1.159669406085758
Energy: 1.1705562805036431
Energy: 1.164864486797556
Energy: 1.161350752126625
Energy: 1.1581677291487324
Energy: 1.1427126979232292
Energy: 1.1631241080056707
Energy: 1.1597541182172981
Energy: 1.1496407673445541
Energy: 1.1631370048881964
Energy: 1.1666013507657462
Energy: 1.1351577184028112
Energy: 1.1610805131657227
Energy: 1.1623069034770346
Energy: 1.13203335067895
Energy: 1.1613549951679736
Energy: 1.1619866466236308
Energy: 1.1350343293693088
Energy: 1.1624612377439503
Energy: 1.161579423804464
Energy: 1.1321509264248626
Energy: 1.16207386828513
Energy: 1.165125905055106
Energy: 1.1345333222930478
Energy: 1.1622047376376132
Energy: 1.1624473791812995
Energy: 1.0766385242631011
Energy: 1.159131933006388
Energy: 1.175587560161868
Energy: 1.1055012178603434
Energy: 1.1476866010152837
Energy: 1.0747242016211338
Energy: 1.1381637683158252
Energy: 1.1497933536291027
Energy: 1.164970952365593
Energy: 1.137502428452266
Energy: 1.1675047383649226
Energy: 1.1620008694844386
Energy: 1.1342680362873678
Energy: 1.1703275975522318
Energy: 1.1843527347918796
Energy: 1.1380697641244606
Energy: 1.1494235468027516
Energy: 1.0505654841866854
Energy: 1.1445050964199337
Energy: 1.0726313330263093
Energy: 1.1588429293323455
Energy: 1.1365042081706538
Energy: 1.052285320471614
Energy: 1.0525991236081338
Energy: 0.961572242041757
Energy: 1.054110098755678
Energy: 1.1489595716471979
Energy: 1.1339127839012832
Energy: 1.0583933620462198
Energy: 1.0515121386006805
Energy: 1.0749759046183465
Energy: 1.055920221781495
Energy: 1.1415361441902232
Energy: 1.1132937139620185
Energy: 1.1469487936178653
Energy: 1.0527872366359052
Energy: 1.093261535390419
Energy: 1.0581574980762913
Energy: 1.1540098945088104
Energy: 1.1126491582412374
Energy: 0.9567928930051566
Energy: 1.0539086854947584
Energy: 1.0384135256487423
Energy: 1.062152121787887
Energy: 1.06055444469125
Energy: 1.1343133593727637
Energy: 0.9629753895077856
Energy: 0.9567893154235556
Energy: 0.9561751312093424
Energy: 0.9570480317153081
Energy: 1.1504509495020212
Energy: 1.1375287594212067
Energy: 1.0521141710137998
Energy: 0.961711324963192
Energy: 0.9660902894535187
Energy: 1.0837577528731543
Energy: 0.9536200224201599
Energy: 0.9647085272788369
Energy: 1.1388811930613292
Energy: 0.9868349641301846
Energy: 0.9604301885969319
Energy: 0.9572619635094434
Energy: 1.1337517398045773
Energy: 0.9529667861197978
Energy: 0.965884671197838
Energy: 0.9687037370982323
Energy: 0.9555566575161171
Energy: 0.9606201131505162
Energy: 1.1342133420011142

minimum gb energy = 0.9529667861197978 eV
minimum distance =  2.31127981957489 Angstroms
sigma value = 67


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

Energy: 0.3352155709037909
Energy: 0.4358306645550664
Energy: 0.43647039609473953
Energy: 0.4373824836384781
Energy: 0.43581070618344286
Energy: 0.31275132461767935
Energy: 27.819126451106108
Energy: 0.4371736381431681
Energy: 0.43711028988011524
Energy: 0.4359005739962873
Energy: 0.4378910748701729
Energy: 0.4360800550378602
Energy: 26.78724427420669
Energy: 0.43620775223758756
Energy: 0.43537443698504413
Energy: 0.4339012923905147
Energy: 0.435493072559869
Energy: 0.43613113195108033
Energy: 0.29719011231921644
Energy: 0.4352690570318392
Energy: 0.43597344369004665
Energy: 0.437638873472906
Energy: 0.43503486794514856
Energy: 0.2966293780913529
Energy: 0.29660578808271376
Energy: 0.4348674724677925
Energy: 0.4351332359856917
Energy: 0.43514120906878384
Energy: 0.4343523803882022
Energy: 0.2966519305174578
Energy: 26.08856265372539
Energy: 0.43565517684978916
Energy: 0.4363491365079007
Energy: 0.4382418576635063
Energy: 0.43604040706959174
Energy: 0.4354684207246578
Energy: 0.29648027580487374
Energy: 0.43625859506815895
Energy: 0.4361642822543803
Energy: 0.4336100423616034
Energy: 0.4366029125243057
Energy: 0.43589167265525836

minimum gb energy = 0.29648027580487374 eV
minimum distance =  2.43663565383462 Angstroms
sigma value = 3


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

Energy: 1.985454965766529
Energy: 0.896295337041599
Energy: 0.8979169299819976
Energy: 0.9972776405136474
Energy: 0.8950647436326942
Energy: 1.1272309643481593
Energy: 1.113247755553086
Energy: 0.9019163042984965
Energy: 0.8890517173029648
Energy: 0.8913991526528072
Energy: 0.8884604180626989
Energy: 0.8977455737084472
Energy: 1.1221892192606502
Energy: 0.8913647363123162
Energy: 0.8905417490054792
Energy: 0.8919805614009071
Energy: 0.8933256089282516
Energy: 0.8928576375249984
Energy: 1.2472556072684664
Energy: 0.8910151203804155
Energy: 0.8908592129857509
Energy: 0.8933336820805842
Energy: 0.8920430093774836
Energy: 0.8896646942236103
Energy: 1.247261380210564
Energy: 0.8892344971990175
Energy: 0.8904656823975191
Energy: 0.9988963335025683
Energy: 0.8896484717288484
Energy: 0.8872648752008871
Energy: 1.1429914170869981
Energy: 0.8920729821028827
Energy: 0.8910271361142394
Energy: 1.0067927897637878
Energy: 0.8908060227134122
Energy: 0.8884284432948248
Energy: 1.1338224143105486
Energy: 0.888211917227537
Energy: 0.892583926430495
Energy: 0.9999040151892354
Energy: 0.8879525316076587
Energy: 0.8881652403130373
Energy: 1.2484592870860747
Energy: 1.0091263514094249
Energy: 0.8888834375401626
Energy: 1.0025529677110092
Energy: 0.8885917375443965
Energy: 1.1447487192822745
Energy: 1.1128372939832998
Energy: 0.895887980887315
Energy: 0.9043364820666395
Energy: 1.013678597043981
Energy: 0.8991399222373669
Energy: 0.9012610903792713
Energy: 1.1432864704122518
Energy: 1.0232371972645835
Energy: 0.8885683008485202
Energy: 0.9983936148098469
Energy: 0.8878446117286881
Energy: 0.896673398287592
Energy: 1.248622598215394
Energy: 1.1316511971175645
Energy: 1.1273113020180103
Energy: 1.1339831241687626
Energy: 1.1313643542485419
Energy: 1.1375363184059302
Energy: 1.1161028284226995
Energy: 1.129926988717712
Energy: 1.1230181928804275
Energy: 1.019090250169773
Energy: 1.1273390401449683
Energy: 1.1293080108120686
Energy: 1.1193131287409215
Energy: 1.1270488847687306
Energy: 1.1181449396204515
Energy: 0.8896561207211274
Energy: 1.1269235593220128
Energy: 1.1285410425482252
Energy: 1.1165553794080758
Energy: 1.1438202809486613
Energy: 1.1399850443458186
Energy: 1.1332546985611167
Energy: 1.1435929627365002
Energy: 1.1421269783227095
Energy: 1.135939940291535
Energy: 1.1388639195713837
Energy: 1.1540159871542113
Energy: 1.1448782474169144
Energy: 1.1474619908625667
Energy: 1.1355945767472406
Energy: 1.266956496430565
Energy: 1.1424775949238268
Energy: 1.1344068531217406
Energy: 0.8903651541848472
Energy: 1.1415884604161473
Energy: 1.1438783903587402
Energy: 1.1184567498595228
Energy: 1.1386279467148082
Energy: 1.1437022390816103
Energy: 1.1524784207956378
Energy: 1.1425825504907117
Energy: 1.1371094816797098
Energy: 1.1444208913658145
Energy: 1.1212238559130179
Energy: 1.1239266501596878
Energy: 1.1370055585671481
Energy: 1.1401766960463506
Energy: 1.013654681174265
Energy: 1.1220626616682599
Energy: 1.1263913124744418
Energy: 1.1299648301675298
Energy: 1.1104912513776701
Energy: 1.1281131260755408
Energy: 1.1230554049519315
Energy: 1.1095078209991163
Energy: 1.1296082131293963
Energy: 1.1349986068448967
Energy: 1.1523665477127836
Energy: 1.1294491887889044
Energy: 1.1238033616154852
Energy: 1.114279372305479
Energy: 0.8899172133570589
Energy: 0.8958443017892236
Energy: 1.1335647280444379
Energy: 0.887772668130367
Energy: 1.0055659649118889
Energy: 1.2587360850917841
Energy: 0.901251292347096
Energy: 0.8964244936917393
Energy: 1.1423076569735693
Energy: 0.8878135189127806
Energy: 0.8918773754802855
Energy: 1.0153705896531737
Energy: 0.8880998681734926
Energy: 1.123632447261246
Energy: 1.1402452416097488
Energy: 0.8884188545436297
Energy: 0.888267843275415
Energy: 0.9937064756043772
Energy: 0.8919192814705286
Energy: 0.8883407826162406
Energy: 0.8959850227602074
Energy: 0.887747788057439
Energy: 0.8889760453838005
Energy: 1.005410003967629
Energy: 0.8892450591407877
Energy: 0.8888131306909658
Energy: 0.8964252368004433
Energy: 0.8897311167323513
Energy: 0.8915838204953279
Energy: 0.9980582471866593
Energy: 0.8907143806952071
Energy: 0.8926971070085253
Energy: 0.8906809841016667
Energy: 0.8902242308803888
Energy: 0.8914041872276415
Energy: 0.8898947744261555
Energy: 0.8903645136119728
Energy: 0.8898109519456917
Energy: 0.8942126625055695
Energy: 0.8924902839773562
Energy: 0.8900519274655914
Energy: 0.8893693922139747
Energy: 0.8906537065880574
Energy: 0.892081043517451
Energy: 0.8984430013779658
Energy: 0.8903973319305817
Energy: 0.88993552263471
Energy: 0.8883781812981248
Energy: 0.8901557740199765
Energy: 0.8878285401937225
Energy: 0.8920443101314602
Energy: 0.8896072215545732
Energy: 0.8893960292215569
Energy: 0.90830877039071
Energy: 0.8958493229239741
Energy: 1.0050966619367474
Energy: 1.1412390622188937
Energy: 0.9038453833860376
Energy: 0.8893987170079581
Energy: 1.0068380310612064
Energy: 0.889379943030002
Energy: 0.8951295615291915
Energy: 1.0033595249122562
Energy: 0.8946832568765358
Energy: 0.8914191323788314
Energy: 1.0015160156194634
Energy: 0.8903418265720587
Energy: 0.8930260527576555
Energy: 1.0129974156889405
Energy: 0.8934267826442541
Energy: 0.8895377756652695
Energy: 1.0046220647069428
Energy: 0.8876562552258688
Energy: 0.8950149550478981
Energy: 1.154138574952873
Energy: 0.8883234994872805
Energy: 0.8883976917042754
Energy: 1.122576690584572
Energy: 0.8882229778266945
Energy: 0.8882341156697445
Energy: 0.903222384455549
Energy: 0.8884406767124584
Energy: 0.8880144530013082
Energy: 1.2533056938495566
Energy: 0.8882539128135272
Energy: 0.890562067729171
Energy: 1.1406464613031213
Energy: 0.8878593275807676
Energy: 0.8918521626206417
Energy: 1.1079625343890662
Energy: 1.118873083672203
Energy: 1.1257453451678985
Energy: 1.0190041801728547
Energy: 1.124323248801651
Energy: 1.016288024678072
Energy: 1.1184413571333425
Energy: 1.1330597238105835
Energy: 1.145848247576292
Energy: 1.1271606988643887
Energy: 1.1391294778403949
Energy: 1.1343784039810376
Energy: 1.2697827250203833
Energy: 1.0112439210875184
Energy: 1.007675686200591
Energy: 1.1519997947501794
Energy: 0.8884918462538508
Energy: 1.0053945822023593
Energy: 1.1121542257325328
Energy: 1.1319480504579769
Energy: 1.1428887727362873
Energy: 1.1473894998073242
Energy: 1.139037336425441
Energy: 1.1273763616896597
Energy: 1.2684464944012688
Energy: 1.1597603194300397
Energy: 1.1397993540425966
Energy: 1.0131852540591004
Energy: 1.1432369399647677
Energy: 1.1458507162542988
Energy: 1.1206076712556723
Energy: 1.1494153164957954
Energy: 1.144704233816302
Energy: 1.166673798471454
Energy: 1.1424498877473914
Energy: 1.1466903087029379
Energy: 1.112103896420734
Energy: 1.1466683036371867
Energy: 1.1434504818583426
Energy: 1.133415467940961
Energy: 1.143847568110029
Energy: 1.1445083582481872
Energy: 1.126922721908535
Energy: 1.1359963171932295
Energy: 1.1251430713175625
Energy: 1.02254679308106
Energy: 1.1302566558892835
Energy: 1.1414484810866221
Energy: 1.5516426426322232
Energy: 1.019205158840462
Energy: 1.0145871494306773
Energy: 1.0119615794372026
Energy: 1.0157142591098225
Energy: 1.0104065343000537
Energy: 1.7220695896955218
Energy: 1.14392504584353
Energy: 1.1375720847881599
Energy: 1.1401856100883765
Energy: 1.1370676053043212
Energy: 1.1410986711397901
Energy: 1.1193455004920305
Energy: 1.1259556054581796
Energy: 1.0122400433886747
Energy: 1.1185553771276637
Energy: 1.011642690270615
Energy: 1.12261266594118
Energy: 1.1087484635553357
Energy: 0.8879536688901817
Energy: 0.8906180977597294
Energy: 1.0008671065289714
Energy: 0.9018407627654792
Energy: 0.8904675291977733
Energy: 1.1228099737670076
Energy: 0.888105207491473
Energy: 0.8884422356387229
Energy: 1.1081689312060385
Energy: 0.8877426895168741
Energy: 1.1208028891137254
Energy: 1.1340426198318554
Energy: 0.8881316417822299
Energy: 0.8885373736839244
Energy: 1.0020799686955995
Energy: 0.8878139000895219
Energy: 1.1174439662363216
Energy: 1.1182979370146964
Energy: 0.8910040901050796
Energy: 0.8882248471789276
Energy: 0.9977061217413761
Energy: 0.8907652866937561
Energy: 0.8884548129536426
Energy: 1.1408054946065915
Energy: 0.8878050203880763
Energy: 0.8906989372721975
Energy: 1.0145363852228864
Energy: 0.8886925483226207
Energy: 1.2154468328189871

minimum gb energy = 0.8872648752008871 eV
minimum distance =  2.29159000513388 Angstroms
sigma value = 81


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

Energy: 2.6369620494777917
Energy: 1.0022126057001675
Energy: 0.9950711332127413
Energy: 1.1177373648968916
Energy: 0.9984842614175741
Energy: 1.281890232421548
Energy: 1.1621128743728715
Energy: 1.0002563300201914
Energy: 0.9952450564599167
Energy: 0.9954319859498324
Energy: 0.9941749485852068
Energy: 0.9940509860053323
Energy: 1.1665192812758935
Energy: 0.996245137368904
Energy: 0.9962913453351088
Energy: 0.9974012999480609
Energy: 0.9980821920491778
Energy: 0.996615319921779
Energy: 1.4211083911686433
Energy: 0.9998979699491395
Energy: 0.998361301410649
Energy: 1.0009681707520477
Energy: 0.9976664207711409
Energy: 0.9852981130696237
Energy: 1.0719967783258173
Energy: 0.9990143284524982
Energy: 0.9962331892469876
Energy: 0.9997808755018032
Energy: 0.9958476107633744
Energy: 0.9851162538775783
Energy: 1.1699046067029206
Energy: 0.9945743211937753
Energy: 0.9939019221339527
Energy: 0.9995894242934944
Energy: 0.9938880854510374
Energy: 1.0013386564346283
Energy: 1.179749352910871
Energy: 0.9944595746258024
Energy: 1.0003572453988627
Energy: 1.0055383643877371
Energy: 1.0067776520025882
Energy: 0.9947189603018344
Energy: 1.0666679775910326
Energy: 1.0057750374872134
Energy: 1.1627591147287863
Energy: 0.9932840704546259
Energy: 0.9942393991498691
Energy: 1.2229990687884047
Energy: 1.1623824800714893
Energy: 0.9973322423386818
Energy: 1.0018353034446883
Energy: 1.0708075750214203
Energy: 0.9955576951177376
Energy: 0.9944829710137788
Energy: 1.1793693718958131
Energy: 1.2477380572922112
Energy: 1.0002571027477427
Energy: 1.1675403435503044
Energy: 0.9942485668767381
Energy: 1.2450019747704921
Energy: 1.067219243410397
Energy: 1.2403145199323533
Energy: 1.0000529763917416
Energy: 1.0748585477891384
Energy: 1.2449906297537598
Energy: 0.9858500142623063
Energy: 1.187310017464601
Energy: 1.2441303709615998
Energy: 1.2827888005662136
Energy: 0.9864080987840933
Energy: 1.2821361211076563
Energy: 0.9859347514881964
Energy: 1.171406711477221
Energy: 1.2418743495815368
Energy: 1.0005846096697284
Energy: 0.9904959137868221
Energy: 1.2826330354764959
Energy: 0.9941691232501079
Energy: 1.164513112911831
Energy: 1.2189605966697485
Energy: 1.3101145649228754
Energy: 1.1641467564573027
Energy: 1.3011128285364537
Energy: 0.9851073013255006
Energy: 1.1635474420910135
Energy: 0.9872500510953873
Energy: 0.991187497088324
Energy: 1.1769953177067294
Energy: 0.9869478699445428
Energy: 0.9930942068728521
Energy: 1.0719474640636848
Energy: 1.2281996162003255
Energy: 1.2819240900286146
Energy: 0.9851327423398475
Energy: 0.9862930403363473
Energy: 1.2285530687062083
Energy: 1.0790641800217526
Energy: 0.991690591205791
Energy: 1.2692590743841354
Energy: 1.3072678650542715
Energy: 0.986084124638513
Energy: 0.9871589464528869
Energy: 1.0641716084568755
Energy: 0.985253428626561
Energy: 0.9872304811454996
Energy: 1.2692165038030383
Energy: 0.9852430940611789
Energy: 0.9861676274359312
Energy: 1.0825247781145484
Energy: 0.9862570395344178
Energy: 0.9860744812217311
Energy: 1.2704138098352062
Energy: 0.9946586441428947
Energy: 0.9866996905950286
Energy: 1.0665850399811072
Energy: 0.9877738550193734
Energy: 0.9881795912681408
Energy: 1.2722950557969255
Energy: 0.9877494187301497
Energy: 0.986405719054732
Energy: 1.0751183925583248
Energy: 0.9869300032263142
Energy: 0.9855380918921115
Energy: 1.2692826249573739
Energy: 0.9861341089929742
Energy: 0.9865103872222238
Energy: 1.0652234039784878
Energy: 0.9864562265998582
Energy: 1.2659055393386305
Energy: 1.2704490529203722
Energy: 0.9896954059925445
Energy: 0.9858311699354487
Energy: 1.075057995285762
Energy: 0.9902571266025366
Energy: 1.090789215094159
Energy: 1.2206293090269402
Energy: 0.9904571827945732
Energy: 0.9898328136815199
Energy: 1.176445960414925
Energy: 0.9854142065141264
Energy: 1.2621422226336
Energy: 1.2778783744504807
Energy: 0.9909018696515713
Energy: 0.9861618472071628
Energy: 1.167593378567461
Energy: 0.9866160974303917
Energy: 0.9852485516286179
Energy: 1.2829081419130968
Energy: 0.9867632395799109
Energy: 0.9860204679410376
Energy: 1.1646322703871894
Energy: 0.991479716780435
Energy: 0.9911807680183982
Energy: 0.992032198406345
Energy: 1.093627053176906
Energy: 1.0816512187955094
Energy: 1.172243762260851
Energy: 1.084209388342492
Energy: 0.991175778263215
Energy: 1.2459606307183928
Energy: 1.0930863229889844
Energy: 0.9912124132244508
Energy: 1.095666333931687
Energy: 0.9920138062005242
Energy: 0.9916757522569446
Energy: 1.2439813375570787
Energy: 1.0861299363591257
Energy: 0.9914831020907315
Energy: 1.163409594875496
Energy: 0.9921986899215557
Energy: 1.284357491313487
Energy: 1.2822180428374224
Energy: 1.2854894407769588
Energy: 1.0925264004560098
Energy: 1.1605519520808363
Energy: 1.2846687944389206
Energy: 0.9953956273876606
Energy: 1.0845592127792332
Energy: 1.1737687417571785
Energy: 1.2865143743898482
Energy: 1.0731649826075966
Energy: 0.9912693012184594
Energy: 1.2977302877915466
Energy: 1.0062722652354916
Energy: 1.2842910593146626
Energy: 0.9859606573639444
Energy: 1.1770984340141166
Energy: 1.2865636785204981
Energy: 1.1590171688160944
Energy: 0.9974995491430213
Energy: 1.2843000866847212
Energy: 1.2882987071031078
Energy: 1.1660484638654809
Energy: 1.005713270822615
Energy: 1.0039624796655957
Energy: 1.0003308798840742
Energy: 0.9943551186914419
Energy: 1.2979351615777643
Energy: 1.0733096695896172
Energy: 0.994935606668008
Energy: 1.0068116458381078
Energy: 1.0157208291489321
Energy: 0.9945654732394132
Energy: 0.9918614867710044
Energy: 1.0711588143524544
Energy: 1.000585709284765
Energy: 1.0076012155249885
Energy: 0.9993926613689478
Energy: 1.1527561702068378
Energy: 1.280345756355174
Energy: 1.1655513974612204
Energy: 1.000841472253091
Energy: 0.9978123024075978
Energy: 1.0010758600178058
Energy: 0.9981857249437175
Energy: 1.0000992898218182
Energy: 1.1606426340872529
Energy: 1.0015119283161296
Energy: 0.9945060324686018
Energy: 1.183717499082266
Energy: 0.9942938404487031
Energy: 1.0009588581842455
Energy: 1.1193949934392586
Energy: 1.0053238682187657
Energy: 0.9945923919344634
Energy: 0.9951886491595299
Energy: 1.0022920356128437
Energy: 1.2813542473314992

minimum gb energy = 0.9851073013255006 eV
minimum distance =  2.33163053133126 Angstroms
sigma value = 43


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

Energy: 1.8800681428009118
Energy: 1.0777402065091417
Energy: 1.0675030929134663
Energy: 1.068746207370337
Energy: 1.0684719670767149
Energy: 1.3498681203945975
Energy: 1.288717022973353
Energy: 1.071134761164163
Energy: 1.066560326051626
Energy: 1.06665116989392
Energy: 1.0669659572101442
Energy: 1.2380065164361456
Energy: 1.2871986841133418
Energy: 1.0673397093761703
Energy: 1.0682833739723676
Energy: 1.0679277644785492
Energy: 1.0681433205478692
Energy: 1.069884453858451
Energy: 1.1658219811900024
Energy: 1.0705569225067029
Energy: 1.0699477096781946
Energy: 1.0690399959673726
Energy: 1.0694371377839602
Energy: 1.1787642374969607
Energy: 1.1658676744425007
Energy: 1.0688570492127922
Energy: 1.0682030640227411
Energy: 1.0690925221100624
Energy: 1.0683463374523012
Energy: 1.054730288318297
Energy: 1.2830438635070416
Energy: 1.0666913568491836
Energy: 1.0659419524803897
Energy: 1.1524008562142667
Energy: 1.066176496233989
Energy: 1.3976130608385007
Energy: 1.2898098991006501
Energy: 1.2373421922274912
Energy: 1.0720326166227592
Energy: 1.072776697750865
Energy: 1.0721191977258546
Energy: 1.230968949683144
Energy: 1.165251035302921
Energy: 1.2387041717140113
Energy: 1.2529014031789507
Energy: 1.0606591714330067
Energy: 1.0721472741584288
Energy: 1.055494973378116
Energy: 1.2877367897783807
Energy: 1.2411691971820462
Energy: 1.075706213820062
Energy: 1.0539179595588422
Energy: 1.2382221104060624
Energy: 1.2383006886268662
Energy: 1.2830116054489942
Energy: 1.0529901491168265
Energy: 1.0712685086227691
Energy: 1.144170735558796
Energy: 1.237937471341479
Energy: 1.0499011141719947
Energy: 1.285058862764662
Energy: 1.0559575742388354
Energy: 1.0565424035771593
Energy: 1.0518432086424394
Energy: 1.0574049490933566
Energy: 1.0516596817171433
Energy: 1.2837386505962554
Energy: 1.0564859212431337
Energy: 1.0494611579539945
Energy: 1.058991986779346
Energy: 1.0505306310636764
Energy: 1.0588221143797258
Energy: 1.1607106221144148
Energy: 1.0591991303748163
Energy: 1.0499666958725684
Energy: 1.2352804378412845
Energy: 1.0563969864673695
Energy: 1.0565450965711796
Energy: 1.1476706167755264
Energy: 1.05276359887694
Energy: 1.3706356126745634
Energy: 1.0574366921094618
Energy: 1.0569895449044562
Energy: 1.0520049189860683
Energy: 1.1488097792730803
Energy: 1.0493817379507844
Energy: 1.0505604323392947
Energy: 1.0536173249349758
Energy: 1.0491501188893253
Energy: 1.0492701637124133
Energy: 1.1308327069272077
Energy: 1.0517332891290898
Energy: 1.372732544428729
Energy: 1.061179730194775
Energy: 1.0528356644868389
Energy: 1.1313325277994433
Energy: 1.1524864763543936
Energy: 1.0498239035247163
Energy: 1.0533690999793943
Energy: 1.058932516900233
Energy: 1.052097300357028
Energy: 1.0494559161192125
Energy: 1.1505336594853206
Energy: 1.050462282694147
Energy: 1.055340439257356
Energy: 1.0500403565440328
Energy: 1.0500427925531106
Energy: 1.0502860957568934
Energy: 1.1537181082123824
Energy: 1.0500470563588429
Energy: 1.0500393038752258
Energy: 1.2547955165778788
Energy: 1.0502411118469182
Energy: 1.0506627218842677
Energy: 1.2841497052152195
Energy: 1.0506093553799645
Energy: 1.0509609082627527
Energy: 1.0610103472699273
Energy: 1.0511669846769742
Energy: 1.0507798571510092
Energy: 1.2853557503189015
Energy: 1.0503951927371673
Energy: 1.0601005962010892
Energy: 1.0807074201649138
Energy: 1.0502083151338188
Energy: 1.0507509486798565
Energy: 1.2816082393681414
Energy: 1.0516439557973536
Energy: 1.0518534712151326
Energy: 1.0506007401525086
Energy: 1.051627021108261
Energy: 1.0516738265819472
Energy: 1.2860340753623223
Energy: 1.0588371008525366
Energy: 1.052200427641149
Energy: 1.0543748408072513
Energy: 1.051744008536378
Energy: 1.058551521453149
Energy: 1.1617455935972325
Energy: 1.0518834260372745
Energy: 1.0513306256028225
Energy: 1.0612226707744132
Energy: 1.0518648378786684
Energy: 1.0515676321672283
Energy: 1.293659899105396
Energy: 1.0517154553213472
Energy: 1.0724740550037049
Energy: 1.0758064577222266
Energy: 1.0516533044224203
Energy: 1.0522227308312755
Energy: 1.2847113366861322
Energy: 1.3912146115175925
Energy: 1.0752705184995215
Energy: 1.0664800199900222
Energy: 1.0737173876628558
Energy: 1.0581144800327926
Energy: 1.1546779582371474
Energy: 1.0710033550941287
Energy: 1.0742786179516766
Energy: 1.0668032352960386
Energy: 1.0734251890875817
Energy: 1.07218573887667
Energy: 1.1646302520483713
Energy: 1.3918494287262482
Energy: 1.0698014928449566
Energy: 1.0761816025587134
Energy: 1.072316935994287
Energy: 1.0495419267686377
Energy: 1.2826395569591211
Energy: 1.0743609297666974
Energy: 1.0702705895171023
Energy: 1.0681023428587297
Energy: 1.0703943914252094
Energy: 1.0716848720113998
Energy: 1.2874022232240137
Energy: 1.065813664563926
Energy: 1.0666500616502383
Energy: 1.068544886893758
Energy: 1.0678873611947166
Energy: 1.2428500105908302
Energy: 1.166459931041749
Energy: 1.0736334268726715
Energy: 1.0744973677466132
Energy: 1.0672749139147903
Energy: 1.0718342306351114
Energy: 1.0561624376310306

minimum gb energy = 1.0491501188893253 eV
minimum distance =  2.32676642892637 Angstroms
sigma value = 57


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

Energy: 1.8441155025101987
Energy: 1.1405677953822602
Energy: 1.1349181502950603
Energy: 1.1339578723944408
Energy: 1.1344629273537732
Energy: 1.1279648089030017
Energy: 1.1311168685322326
Energy: 1.1323347756498163
Energy: 1.1317293361225713
Energy: 1.132636218191035
Energy: 1.1314346115400025
Energy: 1.243788301171349
Energy: 1.1352415887510254
Energy: 1.1405353136083234
Energy: 1.13274645963074
Energy: 1.1337151354277764
Energy: 1.1328992673383893
Energy: 1.2369395618523376
Energy: 1.127804842502824
Energy: 1.138346134514226
Energy: 1.1366812614456074
Energy: 1.1394809959958576
Energy: 1.136298218037458
Energy: 1.1284278924624394
Energy: 1.1271660673279007
Energy: 1.1374120027545087
Energy: 1.1348975983453726
Energy: 1.1328741239933116
Energy: 1.1352797386859739
Energy: 1.128965474783496
Energy: 1.1377420350313925
Energy: 1.140039294764091
Energy: 1.1320483955609282
Energy: 1.133398300600932
Energy: 1.1332215682710276
Energy: 1.1345494336622866
Energy: 1.1309350094247737
Energy: 1.359006611103952
Energy: 1.1366175848988234
Energy: 1.133857900836067
Energy: 1.1400719241063815
Energy: 1.3560988068382642
Energy: 1.4476326303711422
Energy: 1.246198640824791
Energy: 1.3593181220848944
Energy: 1.134158406603917
Energy: 1.357810998799864
Energy: 1.1365060743720432
Energy: 1.1324507574528069
Energy: 1.3583179947967705
Energy: 1.1276744732468085
Energy: 1.1272252345722709
Energy: 1.247569818581605
Energy: 1.3603269253445605
Energy: 1.1338019456065338
Energy: 1.138948238991607
Energy: 1.1344581824927693
Energy: 1.1298541664069621
Energy: 1.246830850394109
Energy: 1.1354942508133932
Energy: 1.137686752862535
Energy: 1.132030618459157
Energy: 1.235825414569195
Energy: 1.1385072373633334
Energy: 1.1350403990118176
Energy: 1.1313837380547327
Energy: 1.1341149499839784
Energy: 1.1334424942692956
Energy: 1.1366048054688764
Energy: 1.1282555779655512
Energy: 1.1370529061294352
Energy: 1.1334783657419247
Energy: 1.1409147944213034
Energy: 1.138323823190096
Energy: 1.1344326179983881
Energy: 1.2406179104442936
Energy: 1.1359910861864637
Energy: 1.1391302315497225
Energy: 1.1335597702439595
Energy: 1.1335270226268694
Energy: 1.2458991866918356
Energy: 1.13716925966714
Energy: 1.1340947986841945
Energy: 1.133698607576674
Energy: 1.1319366646392648
Energy: 1.1326381806871348
Energy: 1.1348507686094738
Energy: 1.1333533623435004
Energy: 1.1355475349997946
Energy: 1.131868459527378
Energy: 1.1378276242504417
Energy: 1.132885502420118
Energy: 1.3533606343007116
Energy: 1.1309299649006814
Energy: 1.1394325176374418
Energy: 1.1332000776634015
Energy: 1.1357165981844146
Energy: 1.1324591257494814
Energy: 1.1346553795396637
Energy: 1.1323509483619738
Energy: 1.1359450295492792
Energy: 1.1318151536129042
Energy: 1.1340655110066453
Energy: 1.1326030335970818
Energy: 1.23734263691634
Energy: 1.151246268424263
Energy: 1.1380594997275824
Energy: 1.1319492913933937
Energy: 1.1385994011568228
Energy: 1.138334051610982
Energy: 1.1398061311118395
Energy: 1.1312811921595791
Energy: 1.247542166515504
Energy: 1.1328923900795551
Energy: 1.131229871035576
Energy: 1.3593840940527298
Energy: 1.1367868718939387
Energy: 1.1344111812980477
Energy: 1.2459104787230255
Energy: 1.3604988351052778
Energy: 1.7686199694885638
Energy: 1.2478417834115418
Energy: 1.3579511532855144
Energy: 1.1486054301332305
Energy: 1.2418311090700918
Energy: 1.1268287327668032
Energy: 1.1319010666438472
Energy: 1.2463834455603506
Energy: 1.136098606441072
Energy: 1.1327542473452363
Energy: 1.1359451495171398
Energy: 1.13406060543619
Energy: 1.1335558778770007
Energy: 1.1316251153794268
Energy: 1.1319306017114148
Energy: 1.1321545372616888
Energy: 1.1322850118769465
Energy: 1.134044529549795
Energy: 1.1256398246157955
Energy: 1.1397936996940172
Energy: 1.133009400189775
Energy: 1.1339190891851525
Energy: 1.136430290752537
Energy: 1.135534193293302

minimum gb energy = 1.1256398246157955 eV
minimum distance =  2.32159685430969 Angstroms
sigma value = 17


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

Energy: 2.355814643648811
Energy: 1.2262088186528255
Energy: 1.2096088251497976
Energy: 1.2097259418332693
Energy: 1.2216373504175935
Energy: 1.2090768618544465
Energy: 1.2216179019327944
Energy: 1.3200053869028665
Energy: 1.2074525503101075
Energy: 1.2110410758289356
Energy: 1.2089735341309096
Energy: 1.203920802737918
Energy: 1.2079413041035854
Energy: 1.30381395236827
Energy: 1.201383803003479
Energy: 1.2017949999717337
Energy: 1.2020088499314383
Energy: 1.2015481848415042
Energy: 1.1994413666777077
Energy: 1.298123465443954
Energy: 1.2158063425801187
Energy: 1.217242885186114
Energy: 1.2048331481804329
Energy: 1.3210108912212477
Energy: 1.1876423174269468
Energy: 1.318110895672342
Energy: 1.2030453032129962
Energy: 1.225849918834516
Energy: 1.2029928779723256
Energy: 1.3041146444052507
Energy: 1.2320788513432788
Energy: 1.3054020908167552
Energy: 1.19882738833974
Energy: 1.1891210733533373
Energy: 1.3033117758490942
Energy: 1.2107871662449086
Energy: 1.225738136843123
Energy: 1.1974437860192648
Energy: 1.1982708790479755
Energy: 1.222260228641119
Energy: 1.2959489536319595
Energy: 1.2143968380021668
Energy: 1.2214069050665133
Energy: 1.1986484004519302
Energy: 1.2099471599893499
Energy: 1.223154911681298
Energy: 1.302782065901449
Energy: 1.1979862359772417
Energy: 1.2226303156857676
Energy: 1.226130357955986
Energy: 1.190695063831645
Energy: 1.2048169721370325
Energy: 1.2156484145766626
Energy: 1.2139748343262133
Energy: 1.2157213806255878
Energy: 1.212509459809796
Energy: 1.303531308717973
Energy: 1.2082660012562916
Energy: 1.2018322839115312
Energy: 1.213426192879806
Energy: 1.2013981544802375
Energy: 1.1973336451172407
Energy: 1.222311910251896
Energy: 1.2097957340728505
Energy: 1.2023893194606206
Energy: 1.1987287032919371
Energy: 1.2188480994435877
Energy: 1.2142864280609542
Energy: 1.3194758243526266
Energy: 1.1867173333177572
Energy: 1.304649099729609
Energy: 1.2151022321401452
Energy: 1.2229165600002643
Energy: 1.197980375124819
Energy: 1.3187428540646977
Energy: 1.1985513066517695
Energy: 1.320611191206812
Energy: 1.2005204882606895
Energy: 1.1860606919765702
Energy: 1.3044007380101084
Energy: 1.3071844775826669
Energy: 1.2103056659147058
Energy: 1.3028898612375648
Energy: 1.1864791424783174
Energy: 1.2241017195727897
Energy: 1.2029234956083985
Energy: 1.1973999159006001
Energy: 1.2230171864799948
Energy: 1.307991737703894
Energy: 1.2046152585076744
Energy: 1.2266025512411414
Energy: 1.306910369764423
Energy: 1.319135400441344
Energy: 1.2049748875933877
Energy: 1.3033336569377658
Energy: 1.2095901790207793
Energy: 1.207584317084415
Energy: 1.2956996206873714
Energy: 1.2051885605929256
Energy: 1.22460144790499
Energy: 1.198226276150731
Energy: 1.2049056482950535

minimum gb energy = 1.1860606919765702 eV
minimum distance =  2.32970890673491 Angstroms
sigma value = 17


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

Energy: 2.5806880946064736
Energy: 1.26027736259701
Energy: 1.2489496533797284
Energy: 1.2462981291502444
Energy: 1.2491205510093901
Energy: 1.1838590896388848
Energy: 1.2430039238530843
Energy: 1.242355372636627
Energy: 1.242454259009656
Energy: 1.2443020744858846
Energy: 1.2437721170340805
Energy: 1.4507812358491021
Energy: 1.2426989374747368
Energy: 1.2694187362344735
Energy: 1.2426131037739918
Energy: 1.2417419103349416
Energy: 1.243856823542554
Energy: 1.1856637065710978
Energy: 1.444165286586541
Energy: 1.2660978065245927
Energy: 1.2446477044377748
Energy: 1.2496031103523628
Energy: 1.241673052849541
Energy: 1.4318419918251628
Energy: 1.252236214270781
Energy: 1.4320458915607135
Energy: 1.4303750099645753
Energy: 1.2470186031085904
Energy: 1.4328429058310828
Energy: 1.4307853256397256
Energy: 1.2424234732487338
Energy: 1.243641565067523
Energy: 1.1881036603499926
Energy: 1.1916113918443538
Energy: 1.2694147859923248
Energy: 1.242340717393687
Energy: 1.2398301510679937
Energy: 1.243471691410908
Energy: 1.4320441442730423
Energy: 1.185611736504103
Energy: 1.4303741306033406
Energy: 1.2423569687460803
Energy: 1.24166389823319
Energy: 1.2406747981763087
Energy: 1.2446958229253906
Energy: 1.2499630553906542
Energy: 1.2482235155741963
Energy: 1.2397769689884683
Energy: 1.2448089650284648
Energy: 1.2507484087955674
Energy: 1.4280922302339822
Energy: 1.4416716308151905
Energy: 1.2427334859387054
Energy: 1.2462979487296342
Energy: 1.5002007015765435
Energy: 1.2421391575809182
Energy: 1.241090554847924
Energy: 1.3173088145994079
Energy: 1.2418098257330055
Energy: 1.2419769839599242
Energy: 1.4964110750328914
Energy: 1.242933192921427
Energy: 1.1858635092703842
Energy: 1.2446923631560876
Energy: 1.2433989937234662
Energy: 1.2433828816186616
Energy: 1.3149139312514777
Energy: 1.2450531536741427
Energy: 1.1870556071051062
Energy: 1.1920735309129422
Energy: 1.1851996302149375
Energy: 1.2452989261240792
Energy: 1.3137995819015422
Energy: 1.4315402217962845
Energy: 1.1857499069143926
Energy: 1.1864655454021673
Energy: 1.1871134720293688
Energy: 1.2453917172965128
Energy: 1.1826753423378298
Energy: 1.1861966829241881
Energy: 1.1889459247681675
Energy: 1.1851337337859753
Energy: 1.1886244926387426
Energy: 1.6356359868562957
Energy: 1.2430978383510096
Energy: 1.1859003018863392
Energy: 1.187174474907901
Energy: 1.187610119067628
Energy: 1.1866119804146744
Energy: 1.4446482851023363
Energy: 1.3070542389275381
Energy: 1.1845806520973048
Energy: 1.184145828123912
Energy: 1.1850138057048303
Energy: 1.1846397510294528
Energy: 1.1859640048677087
Energy: 1.1880559923516714
Energy: 1.189169068879643
Energy: 1.1860825034439832
Energy: 1.1837069792896628
Energy: 1.184553465126632
Energy: 1.2404401635711158
Energy: 1.1874534614785366
Energy: 1.429225652500167
Energy: 1.1860558354123747
Energy: 1.184847563399514
Energy: 1.185967552093533
Energy: 1.2513238191847982
Energy: 1.3185054216865393
Energy: 1.3250507040790878
Energy: 1.1841866428113677
Energy: 1.1842383178522933
Energy: 1.1838705881523202
Energy: 1.2487464425491734
Energy: 1.5003590723700622
Energy: 1.2433213204255635
Energy: 1.186554740352143
Energy: 1.1897676356571658
Energy: 1.185446379493743
Energy: 1.241999599532888
Energy: 1.4933238012078578
Energy: 1.238823242609687
Energy: 1.4268129452615246
Energy: 1.2484738201690713
Energy: 1.4522162336308535
Energy: 1.2401880595278396
Energy: 1.2578441665534983
Energy: 1.2460011662354444
Energy: 1.1855146527766338
Energy: 1.29954710084924
Energy: 1.2452464842505717
Energy: 1.2448987563784466
Energy: 1.2456678482455636
Energy: 1.2416321923021258
Energy: 1.2424996438390237
Energy: 1.2378499112098964
Energy: 1.2409392937367252
Energy: 1.2415111133584784
Energy: 1.237676708275812
Energy: 1.242291410231251
Energy: 1.2640689332689654
Energy: 1.2434768278071522
Energy: 1.2413549100850887
Energy: 1.2397064567959046
Energy: 1.2454767130692468
Energy: 1.243270793636187
Energy: 1.4302205331934947
Energy: 1.1928559229347102
Energy: 1.2662560282176105
Energy: 1.2434571954906908
Energy: 1.2444468020749468
Energy: 1.4342941692654867
Energy: 1.4373058249714794
Energy: 1.1839212483339898
Energy: 1.268768729965298
Energy: 1.2475214598207185
Energy: 1.1942507902052522
Energy: 1.2666440879684646
Energy: 1.2447998306925738
Energy: 1.2438842195537918
Energy: 1.4358123085210213
Energy: 1.1819078910961265
Energy: 1.1883191329889289
Energy: 1.2692758009381486
Energy: 1.247422398549503
Energy: 1.245982035125384
Energy: 1.2442593232444568
Energy: 1.250998234580975
Energy: 1.24303254752528
Energy: 1.2430599491092673
Energy: 1.2504565578042104
Energy: 1.2411422006269608
Energy: 1.2498631873410635
Energy: 1.1899407019368802
Energy: 1.1868357865377424
Energy: 1.2464114894119915
Energy: 1.2420016568682737
Energy: 1.247951994094083
Energy: 1.2435264017523242
Energy: 1.3246680974551928
Energy: 1.184058565604595
Energy: 1.2414759515463545
Energy: 1.2440046393487232
Energy: 1.2579278991114822
Energy: 1.2453534819368808
Energy: 1.3213026450204095
Energy: 1.25085528616144
Energy: 1.2395276959403263
Energy: 1.238238058748706
Energy: 1.2406461280127314
Energy: 1.2431735919738849
Energy: 1.192326647157718
Energy: 1.4432856457483092
Energy: 1.1895078112697102
Energy: 1.2419586341636901
Energy: 1.2429221359166789
Energy: 1.241484792836295
Energy: 1.1873712516455153
Energy: 1.9079362400556898
Energy: 1.6634404896721218
Energy: 1.2481549782405517
Energy: 1.3084974370474136
Energy: 1.4317802223824723
Energy: 1.1829885229322545
Energy: 1.189143009589996
Energy: 1.1867409692331736
Energy: 1.647673970943821
Energy: 1.1874562716584183
Energy: 1.1849016647833073
Energy: 1.1867602350905073
Energy: 1.1841086356257222
Energy: 1.1868903309680383
Energy: 1.4293303165279683
Energy: 1.1881458312004316
Energy: 1.1886853448491272
Energy: 1.1859854839707713
Energy: 1.1833728438821027
Energy: 1.1843485752330014
Energy: 1.432356645992081
Energy: 1.3157123054223012
Energy: 1.1857823418846007
Energy: 1.1839937440145034
Energy: 1.1879081000792437
Energy: 1.1852480094811881
Energy: 1.429332146781535
Energy: 1.2421090493018208
Energy: 1.1846166122973367
Energy: 1.1877295317395644
Energy: 1.1857822315481463
Energy: 1.189672912349099
Energy: 1.431368659885787
Energy: 1.185352015470495
Energy: 1.1847696584839789
Energy: 1.1875952847993716
Energy: 1.6874807287742288
Energy: 1.18462698458162
Energy: 1.3225100349689445
Energy: 1.3138607140798255
Energy: 1.4325325310227774
Energy: 1.1845614851771544
Energy: 1.444176954186645
Energy: 1.1862114208644234
Energy: 1.2453164816330802
Energy: 1.5042396849019517
Energy: 1.240286394587965
Energy: 1.1852358869978514
Energy: 1.2513256063919544
Energy: 1.6342146731638958
Energy: 1.2430526872704883
Energy: 1.2414100374615684
Energy: 1.2410804342783404
Energy: 1.1880183507625646
Energy: 1.49975174948101
Energy: 1.242034095895848
Energy: 1.2418303576847314
Energy: 1.2415399865481846
Energy: 1.2425449656588325
Energy: 1.1859358999998064

minimum gb energy = 1.1819078910961265 eV
minimum distance =  2.32352264833996 Angstroms
sigma value = 57


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

Energy: 2.0210576786167915
Energy: 1.2336949489201254
Energy: 1.2295772454955922
Energy: 1.3807196143445806
Energy: 1.2487796029904206
Energy: 1.1408474957892432
Energy: 1.2373874678418397
Energy: 1.2346114707414655
Energy: 1.2499638334828154
Energy: 1.229068850287096
Energy: 1.2268160463775684
Energy: 1.2058715414423873
Energy: 1.2372868426817922
Energy: 1.2094941363138318
Energy: 1.2471846980465016
Energy: 1.2399014594400972
Energy: 1.2292715822787919
Energy: 1.2290963243308382
Energy: 1.6509413496118877
Energy: 1.2102344056823882
Energy: 1.2349788389048981
Energy: 1.2288945050200417
Energy: 1.2359059347449455
Energy: 1.2058484119751853
Energy: 1.2386261973311004
Energy: 1.2101253334003756
Energy: 1.2055328235791334
Energy: 1.139645973869284
Energy: 1.2080345630541445
Energy: 1.2071015147074888
Energy: 1.2337249562346158
Energy: 1.2363838279238135
Energy: 1.1374898021296287
Energy: 1.138029592864499
Energy: 1.2074809903326311
Energy: 1.2348437423363425
Energy: 1.2332729624725913
Energy: 1.2337887670055263
Energy: 1.2095358039780324
Energy: 1.2472871148109086
Energy: 1.2059616312685688
Energy: 1.2437753012564867
Energy: 1.2277679430410529
Energy: 1.2245102993617354
Energy: 1.2278955581384372
Energy: 1.2322416880061782
Energy: 1.2290049159911267
Energy: 1.2395090050453217
Energy: 1.2331144381872392
Energy: 1.2334149509275654
Energy: 1.2055454999354513
Energy: 1.203560773847531
Energy: 1.2344519020332454
Energy: 1.2307829195247109
Energy: 1.2335421480192208
Energy: 1.2294767729417746
Energy: 1.2333629502056445
Energy: 1.241299398632644
Energy: 1.2304274371199215
Energy: 1.2307325837723873
Energy: 1.3094603686103616
Energy: 1.2295050942753016
Energy: 1.2322502130718527
Energy: 1.2380296063177127
Energy: 1.3815042360893843
Energy: 1.2422775288830201
Energy: 1.2365172145753536
Energy: 1.238053302147433
Energy: 1.2324982782966585
Energy: 1.2310901978046873
Energy: 1.2309430713143477
Energy: 1.2311203258740637
Energy: 1.2489625831128968
Energy: 1.2301548592581704
Energy: 1.2432726567358305
Energy: 1.2287586072235175
Energy: 1.228387138230385
Energy: 1.2410712902323981
Energy: 1.9964688623476634
Energy: 1.228989283857184
Energy: 1.2413275103199342
Energy: 1.2401551350363569
Energy: 1.2370304934058431
Energy: 1.1366625587088204
Energy: 1.334763479554639
Energy: 1.2350585062673098
Energy: 1.229201173454529
Energy: 1.2322229473733555
Energy: 1.2314410993965514
Energy: 1.2080213783887923
Energy: 1.2392003162858514
Energy: 1.210270368823544
Energy: 1.227151263838005
Energy: 1.2362897212239927
Energy: 1.267452295711832
Energy: 1.2304091722871457
Energy: 1.6421292054669583
Energy: 1.2095778656319272
Energy: 1.2343826651445062
Energy: 1.2270104728747169
Energy: 1.2367810361035614
Energy: 1.2044353381061823
Energy: 1.2342975376755811
Energy: 1.2117385396878058
Energy: 1.2048303276051808
Energy: 1.2375571927775038
Energy: 1.2084786117768036
Energy: 1.2059198819296928
Energy: 1.235612169314694
Energy: 1.2354463016427466
Energy: 1.7171028311711556
Energy: 1.140934655812901
Energy: 1.206658409036801
Energy: 1.2373382846410983
Energy: 1.2326151651607098
Energy: 1.232066486398661
Energy: 1.2100934680317572
Energy: 1.2457035843745572
Energy: 1.2079422403693456
Energy: 1.2467745582501972
Energy: 1.2274091186386615
Energy: 1.2305993589312172
Energy: 1.2333017465889742
Energy: 1.2343466833490027
Energy: 1.228870278865433
Energy: 1.235258829014772
Energy: 1.2325353352541266
Energy: 1.234286334210922
Energy: 1.2076363022623466
Energy: 1.2237594264418044
Energy: 1.2385280359359212
Energy: 1.2280008372337554
Energy: 1.2350727484179955
Energy: 1.2353355760689937
Energy: 1.234009370608814
Energy: 1.237692764524223
Energy: 1.2282456206080885
Energy: 1.2310740209892832
Energy: 1.3076045601566244
Energy: 1.2257806957671333
Energy: 1.2324032349735756
Energy: 1.2389014596179557
Energy: 1.2264145936548978
Energy: 1.2319771019310286
Energy: 1.233788762095957
Energy: 1.233116368022323
Energy: 1.230163231431677
Energy: 1.232720558934309
Energy: 1.2351367903243473
Energy: 1.2351598097021912
Energy: 1.2464940729384548
Energy: 1.2369730953308253
Energy: 1.255218489002471
Energy: 1.2277657252034893
Energy: 1.2279146351001622
Energy: 1.2384790707797577
Energy: 1.9782916533790567
Energy: 1.2429899311190782
Energy: 1.2338785618884978
Energy: 1.2380576244532082
Energy: 1.2340032004234527
Energy: 1.141412141717782

minimum gb energy = 1.1366625587088204 eV
minimum distance =  2.33726723978171 Angstroms
sigma value = 43


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

Energy: 2.515217787320155
Energy: 1.203747803245971
Energy: 1.2671291719111384
Energy: 1.2657434835809886
Energy: 1.2662667574964117
Energy: 1.7220432719007093
Energy: 1.1906411754009567
Energy: 1.2603064435394093
Energy: 1.2600543401704716
Energy: 1.2685834766005983
Energy: 1.261301229663325
Energy: 1.2825229389197483
Energy: 1.2794424590891587
Energy: 1.2835120958437511
Energy: 1.2591993338340794
Energy: 1.2660937991938026
Energy: 1.2621261208689734
Energy: 1.2631550490665349
Energy: 1.4663435481568647
Energy: 1.4742707224998703
Energy: 1.2632329822069728
Energy: 1.2638710609914456
Energy: 1.4925305711172772
Energy: 1.1907848333090227
Energy: 1.5925544548931536
Energy: 1.1898070958383729
Energy: 1.2896642678466508
Energy: 1.3329246123805074
Energy: 1.4696302623972475
Energy: 1.1912984112113996
Energy: 1.189372113168057
Energy: 1.194316744303729
Energy: 1.7010561164632834
Energy: 1.1919409397665506
Energy: 1.470374725907271
Energy: 1.189865981234349
Energy: 1.1961783608095313
Energy: 1.1895477410218895
Energy: 1.2886733194162427
Energy: 1.2666674633962787
Energy: 1.1913826659372646
Energy: 1.1890109846527461
Energy: 1.1933425257460435
Energy: 1.1933951412582484
Energy: 1.2903216405767954
Energy: 1.268904584139873
Energy: 1.190121371910947
Energy: 1.192648101677733
Energy: 1.1940842010147852
Energy: 1.1926433309295295
Energy: 1.2812430571991507
Energy: 1.2585400763285473
Energy: 1.468655150386221
Energy: 1.194414628343186
Energy: 1.4108929982707985
Energy: 1.1916604674134428
Energy: 1.2895038262362626
Energy: 1.375472899623047
Energy: 1.4694429036553678
Energy: 1.1902563880823103
Energy: 1.8296129540897228
Energy: 1.4750735502162586
Energy: 1.2644752974457452
Energy: 1.2645766093448725
Energy: 1.2807285388855352
Energy: 1.187627203056249
Energy: 1.2799565550933818
Energy: 1.4681227174135514
Energy: 1.2645713490744799
Energy: 1.268784727219459
Energy: 1.2616805373673288
Energy: 1.263635256380107
Energy: 1.1926133793303273
Energy: 1.2614132963114324
Energy: 1.2630431919289218
Energy: 1.2645414026916146
Energy: 1.2618135018434584
Energy: 1.2627261420783973
Energy: 1.5760291611301647
Energy: 1.2626143452781864
Energy: 1.2607686822441542
Energy: 1.2656687011448624
Energy: 1.2634042272277786
Energy: 1.288253619401886
Energy: 1.2623439801776446
Energy: 1.2627550270083945
Energy: 1.2614407212782845
Energy: 1.2684502790721697
Energy: 1.2607935119219649
Energy: 1.2621214262894975
Energy: 1.2791489731150791
Energy: 1.2624515331269883
Energy: 1.2626602252202954
Energy: 1.2629565146412083
Energy: 1.2609788732554625
Energy: 1.2640507582406115
Energy: 1.5833512552478155
Energy: 1.260431073126068
Energy: 1.2616407637567586
Energy: 1.2836912495756718
Energy: 1.2610610077726352
Energy: 1.2635219740819108
Energy: 1.586280598596169
Energy: 1.2604690093186466
Energy: 1.259140812145853
Energy: 1.2767528184082373
Energy: 1.2617565665334052
Energy: 1.2603620323815317
Energy: 1.2659818173440038
Energy: 1.267947664195311
Energy: 1.1982492185384122
Energy: 1.7249888999041654
Energy: 1.2037246368794003
Energy: 1.2662495048646094
Energy: 1.2673094534516252
Energy: 1.261174953087757
Energy: 1.2596676844788488
Energy: 1.1921042552164334
Energy: 1.261628873494968
Energy: 1.2596269585199327
Energy: 1.2693446546483536
Energy: 1.2607143860098495
Energy: 1.1930337154965682
Energy: 1.2796344480931356
Energy: 1.283089518198161
Energy: 1.2616000306848871
Energy: 1.2637020978595033
Energy: 1.2609771942353694
Energy: 1.4723429945291615
Energy: 1.1923410657873499
Energy: 1.4736747986050747
Energy: 1.2622206471700368
Energy: 1.3406889027678752
Energy: 1.2874304576077802
Energy: 1.1903837911175388
Energy: 1.2612755374610685
Energy: 1.4733148060177477
Energy: 1.2843186094201888
Energy: 1.8288466064108444
Energy: 1.4695667331766917
Energy: 1.196576376855729
Energy: 1.1893094892406963
Energy: 1.190242740536742
Energy: 1.1900329580633109
Energy: 1.2663669393549128
Energy: 1.4722396505409365
Energy: 1.1933349197871657
Energy: 1.1969102708746162
Energy: 1.1907561415357704
Energy: 1.2845751496646864
Energy: 1.2690765221613076
Energy: 1.1900521774785173
Energy: 1.1929553207042614
Energy: 1.194977778752365
Energy: 1.1914645928205323
Energy: 1.279794411202267
Energy: 1.5772743368498612
Energy: 1.4688527048050493
Energy: 1.192352039961741
Energy: 1.1946164714777372
Energy: 1.1907527240038913
Energy: 1.1868239337600182
Energy: 1.3776165293628824
Energy: 1.2910715841870677
Energy: 1.1906986772093189
Energy: 1.2692411639174348
Energy: 1.4730295785001692
Energy: 1.2882204776582238
Energy: 1.2644264276537465
Energy: 1.2682592217097168
Energy: 1.4730993005196276
Energy: 1.1915086530559091
Energy: 1.47395753553755
Energy: 1.2638945064773606
Energy: 1.268045711066968
Energy: 1.2638579154528868
Energy: 1.1929817915648537
Energy: 1.283709204250524
Energy: 1.2942920525626918
Energy: 1.276570324263686
Energy: 1.2633289976253033
Energy: 1.2617195298975248
Energy: 1.2695976217566054
Energy: 1.1935096089440627
Energy: 1.2612129057137484
Energy: 1.2615566679604127
Energy: 1.2720752230178438
Energy: 1.2628784947890537
Energy: 1.4653002938725015
Energy: 1.1859975696732563
Energy: 1.2635228754953785
Energy: 1.2650827371554831
Energy: 1.5894504533727396
Energy: 1.262567130668047
Energy: 1.2608855350413255
Energy: 1.2630907392699855
Energy: 1.2606451584700382
Energy: 1.261658930538796
Energy: 1.4601252570920644
Energy: 1.260875451648519
Energy: 1.2624237822015703
Energy: 1.2795855319284326
Energy: 1.2646870741665042
Energy: 1.2629879562707185
Energy: 1.279156843382964
Energy: 1.2641031710595454
Energy: 1.2610537001424553
Energy: 1.2646396260736352
Energy: 1.2626165766166575
Energy: 1.2625543995729767
Energy: 1.2806032621317383
Energy: 1.262742953618122
Energy: 1.2619749310443806
Energy: 1.265949260738451
Energy: 1.26282590164973
Energy: 1.280320206882207

minimum gb energy = 1.1859975696732563 eV
minimum distance =  2.32385659579347 Angstroms
sigma value = 81


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

Energy: 1.1639901078825592
Energy: 1.306952936690302
Energy: 1.1718585025598154
Energy: 1.1720891232365314
Energy: 1.3065535125900765
Energy: 1.1665562816679735
Energy: 1.1723632423938235
Energy: 1.308868220038515
Energy: 1.1740740973248722
Energy: 1.1726452807400425
Energy: 1.1754518538698582
Energy: 1.305055897872102
Energy: 1.3077497434063077
Energy: 1.3042354360142536
Energy: 1.1795887996200736
Energy: 1.177627504441811
Energy: 1.1735201139738058
Energy: 1.3048366991594167
Energy: 1.3069539416742566
Energy: 1.3039930089242089
Energy: 1.1715119517112949
Energy: 1.175972583724203
Energy: 1.304568829091162
Energy: 1.3061360442999923
Energy: 1.3043979931825558
Energy: 1.3076101727785148
Energy: 1.3046405807475085
Energy: 1.1638613966809335
Energy: 1.3076570520361572
Energy: 1.3056632725037707
Energy: 1.1765070095380679
Energy: 1.172322863977497
Energy: 1.1651608782521201
Energy: 1.1674847390299812
Energy: 1.3053656410244823
Energy: 1.174853184048343
Energy: 1.1711057500317241
Energy: 1.1753868233490907
Energy: 1.304854852113983
Energy: 1.3062112502910188
Energy: 1.3088669990016362
Energy: 1.171147840713929
Energy: 1.1696461806261211
Energy: 1.1717704921284169
Energy: 1.3046166563592974
Energy: 1.3096943004047383
Energy: 1.308160703886582
Energy: 1.1708896455144135
Energy: 1.1736210539608007
Energy: 1.1740350556428865
Energy: 1.3046140166221465
Energy: 1.3054585940243615
Energy: 1.3060190951665156
Energy: 1.1752890409882886
Energy: 1.1643883801073842
Energy: 1.3102008881142808
Energy: 1.3055399312143032
Energy: 1.3045640352724928
Energy: 1.306771541675768
Energy: 1.3049659064040793

minimum gb energy = 1.1638613966809335 eV
minimum distance =  2.3435656308494 Angstroms
sigma value = 3


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

Energy: 2.371917583827616
Energy: 1.1961607118441775
Energy: 1.1909975675361641
Energy: 1.1956326471920897
Energy: 1.1902073799336645
Energy: 1.1937982090953645
Energy: 1.1859875874312709
Energy: 1.1843942506492982
Energy: 1.4323863113551767
Energy: 1.4376280592662483
Energy: 1.1867306956826302
Energy: 1.2627807727685976
Energy: 1.4320295050597838
Energy: 1.293118961396191
Energy: 1.4358749756047675
Energy: 1.4302411773044745
Energy: 1.1855047358329687
Energy: 1.4316456811191602
Energy: 1.42711954436499
Energy: 1.433642787995261
Energy: 1.4306816084129332
Energy: 1.1869427196456466
Energy: 1.2886815498311144
Energy: 1.441818963398422
Energy: 1.4276558327519897
Energy: 1.4378182887210418
Energy: 1.1868164595271657
Energy: 1.2180475689597665
Energy: 1.1878199240028704
Energy: 1.430458437183533
Energy: 1.2068016449996104
Energy: 1.2069569980944135
Energy: 1.2900269841216003
Energy: 1.1816900213683963
Energy: 1.1853274571688468
Energy: 1.2066553519403889
Energy: 1.6497087737470846
Energy: 1.4368230243147593
Energy: 1.488891888074378
Energy: 1.1842897559782741
Energy: 1.4352907824246464
Energy: 1.435806212772587
Energy: 1.6481438260695802
Energy: 1.433923140738611
Energy: 1.1861772355376945
Energy: 1.1871323677470147
Energy: 1.1862731477356838
Energy: 1.4348266535573908
Energy: 1.18704885466102
Energy: 1.1853988549580181
Energy: 1.1870073195175783
Energy: 1.1851124387528043
Energy: 1.184870489027329
Energy: 1.4306891596882432
Energy: 1.2142267174049086
Energy: 1.2994025447418243
Energy: 1.1862469104113091
Energy: 1.18661743123079
Energy: 1.1856055967225059
Energy: 1.1862403322366277
Energy: 1.4224122386729579
Energy: 1.293325362849491
Energy: 1.1855383258138263
Energy: 1.184272606954379
Energy: 1.1860815664538027
Energy: 1.4313927046004111
Energy: 1.232759196962048
Energy: 1.1852278405163053
Energy: 1.188361338168086
Energy: 1.1974066079194525
Energy: 1.2926500324174095
Energy: 1.2161882296447304
Energy: 1.1866408178225438
Energy: 1.1873985292560136
Energy: 1.2943365031040446
Energy: 1.1967580204109245
Energy: 1.1858248943553804
Energy: 1.1863272082860503
Energy: 1.183814701397044
Energy: 1.1850309875653593
Energy: 1.1855180647866734
Energy: 1.2143783641880455
Energy: 1.1862762192307068
Energy: 1.187315946710813
Energy: 1.186702877745748
Energy: 1.1859175679123997
Energy: 1.1854043940113834
Energy: 1.4308563721455658
Energy: 1.2622793913730628
Energy: 1.1872536649589056
Energy: 1.1845688827228618
Energy: 1.2651885011579274
Energy: 1.4478565818399967
Energy: 1.4311693915864245
Energy: 1.4348184405119206
Energy: 1.1861776618537707
Energy: 1.193750478271853
Energy: 1.1859053047833934
Energy: 1.4292701142188933
Energy: 1.213896110275456
Energy: 1.4298634738700289
Energy: 1.1662566083991825
Energy: 1.1945492252368988
Energy: 1.1861460611039791
Energy: 1.4320295284246207
Energy: 1.4297596857087111
Energy: 1.4368292222924268
Energy: 1.1659055127154938
Energy: 1.1875115326300942
Energy: 1.2910698297796779
Energy: 1.4502909380476623
Energy: 1.430662327702567
Energy: 1.4384095151503486
Energy: 1.1882743367636457
Energy: 1.4303246655298767
Energy: 1.1878979013159063
Energy: 1.1917464437736855
Energy: 1.4265494167272805
Energy: 1.2906457017443032
Energy: 1.4341835335405329
Energy: 1.4322352018976037
Energy: 1.434439491941816
Energy: 1.1869957505909043
Energy: 1.1860601481142332
Energy: 1.4382508342437974
Energy: 1.4377305323397567
Energy: 1.1863070483740454
Energy: 1.4296977179520485
Energy: 1.2900171620564025
Energy: 1.1811247921830461
Energy: 1.4295636011359751
Energy: 1.1868482754715042
Energy: 1.4325633075735704
Energy: 1.4345328159243227
Energy: 1.2709241270020517
Energy: 1.2113817844180055
Energy: 1.1874854951272331
Energy: 1.4329292713189472
Energy: 1.6508039365130267
Energy: 1.4331313462236324
Energy: 1.1858339780067761
Energy: 1.186623022692906
Energy: 1.2695152855719805
Energy: 1.6616321101117313
Energy: 1.43352106408828
Energy: 1.2751349809328252
Energy: 1.1854018524160759
Energy: 1.1949794286120938
Energy: 1.1856382408788504
Energy: 1.4283483966101278
Energy: 1.1992998832824782
Energy: 1.187292067259236
Energy: 1.1871202470700433
Energy: 1.1952668976870233
Energy: 1.184730482012412
Energy: 1.186098372543824
Energy: 1.4171933769340719
Energy: 1.2942324549168678
Energy: 1.190250108174526
Energy: 1.1868267725849622
Energy: 1.1844659734170297
Energy: 1.4346003076362703
Energy: 1.2223473793230506
Energy: 1.1851222167749746
Energy: 1.185971314572807
Energy: 1.201357229929802
Energy: 1.2860287805596837
Energy: 1.184995787745314
Energy: 1.1879823023516851
Energy: 1.1840934133244225
Energy: 1.1970951198356399
Energy: 1.2016206386495396
Energy: 1.2870355992414027
Energy: 1.187121326357655
Energy: 1.1937442687484017
Energy: 1.1854650651710932
Energy: 1.2940985248788914
Energy: 1.1998878995673117
Energy: 1.1863656874043245
Energy: 1.1848317015179728
Energy: 1.1933988150852453
Energy: 1.186833201598462
Energy: 1.438518421781959
Energy: 1.1867993922077555
Energy: 1.18857194506824
Energy: 1.184696184455624
Energy: 1.1869440698969325
Energy: 1.1875239465457974
Energy: 1.4373132917764315
Energy: 1.4310203718888128
Energy: 1.4885864941091422
Energy: 1.1858840943219826
Energy: 1.1654827237644816
Energy: 1.2683920069308618
Energy: 1.4312931051144004
Energy: 1.4329327099523623
Energy: 1.4373660583264107
Energy: 1.1659706571636945

minimum gb energy = 1.1654827237644816 eV
minimum distance =  2.32600808116193 Angstroms
sigma value = 67


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

Energy: 2.0098770002603694
Energy: 1.1380036734998866
Energy: 1.4115194538248335
Energy: 1.419737681366833
Energy: 1.1369154462817554
Energy: 1.1466268352921924
Energy: 1.4113917459434224
Energy: 1.3811621972900514
Energy: 1.1395535599075297
Energy: 1.13648037394924
Energy: 1.1351530420717513
Energy: 1.2001819104776634
Energy: 1.4692169634182528
Energy: 1.2340368170627338
Energy: 1.1386305838678847
Energy: 1.4795690350199466
Energy: 1.1417280802728198
Energy: 1.468811050743324
Energy: 1.4725397913453029
Energy: 1.4814071779655125
Energy: 1.1350160840546646
Energy: 1.134267044805641
Energy: 1.2300691629264213
Energy: 1.4867762940240454
Energy: 1.470922251435268
Energy: 1.4787220931842597
Energy: 1.2284186314325152
Energy: 1.1401948997161697
Energy: 1.22887307724103
Energy: 1.4677459964128856
Energy: 1.1694062366313982
Energy: 1.1704791440216902
Energy: 1.3237315005445769
Energy: 1.3018928881954155
Energy: 1.1724777555108474
Energy: 1.1886973620632244
Energy: 1.4429741042915398
Energy: 1.4930250759664063
Energy: 1.655684068094762
Energy: 1.1386285750411789
Energy: 1.361020700307039
Energy: 1.4875481388071017
Energy: 1.4433583417321794
Energy: 1.480413114496982
Energy: 1.30403657734937
Energy: 1.301832314929294
Energy: 1.31146741809413
Energy: 1.6205485926367862
Energy: 1.1918272089307627
Energy: 1.3029212704211668
Energy: 1.3086529787813792
Energy: 1.2905354325743275
Energy: 1.2975325617759543
Energy: 1.1968926547700214
Energy: 1.172192310394762
Energy: 1.200163195204685
Energy: 1.2991164758476261
Energy: 1.2902707340052146
Energy: 1.1366262254805595
Energy: 1.1365592953088761
Energy: 1.3062054771103775
Energy: 1.1364423017983376
Energy: 1.1345512199749708
Energy: 1.1332917182256892
Energy: 1.200221447061753
Energy: 1.133051082151404
Energy: 1.1802833397909342
Energy: 1.1325746966894632
Energy: 1.1339697344582294
Energy: 1.1405585005516063
Energy: 1.2002450066541561
Energy: 1.13447705406139
Energy: 1.168003986906092
Energy: 1.1332894912051796
Energy: 1.1345310648377724
Energy: 1.1350955675748422
Energy: 1.1354099981635726
Energy: 1.1409629945207054
Energy: 1.3172059798333349
Energy: 1.1325002804947366
Energy: 1.2043672554352902
Energy: 1.1336370536212188
Energy: 1.134624101514569
Energy: 1.1322308613318925
Energy: 1.1684583723464252
Energy: 1.1337391927450609
Energy: 1.6072271972222552
Energy: 1.6001619806484504
Energy: 1.1979487309958883
Energy: 1.1346786178574522
Energy: 1.1669377032103743
Energy: 1.3240373155955492
Energy: 1.6127988381191873
Energy: 1.595261227974554
Energy: 1.6098610049769713
Energy: 1.167116672986616
Energy: 1.1451080244707341
Energy: 1.1703589500564227
Energy: 1.3082013136045532
Energy: 1.3103804401443864
Energy: 1.60117454627251
Energy: 1.3197982302244649
Energy: 1.1408456122627446
Energy: 1.1759055506969096
Energy: 1.5938897136114007
Energy: 1.4481367828213618
Energy: 1.599397834751523
Energy: 1.1695217074178788
Energy: 1.1745699403814602
Energy: 1.1645301072951575
Energy: 1.625625438278289
Energy: 1.6113116423381648
Energy: 1.5244676242093715
Energy: 1.166615601814709
Energy: 1.1714922435206492
Energy: 1.1652301049830103
Energy: 1.2361754131268001
Energy: 1.4487787947921797
Energy: 1.174154164702705
Energy: 1.1904297749429096
Energy: 1.1667798880601508
Energy: 1.1764048162494263
Energy: 1.2002698275132504
Energy: 1.1395887953836135
Energy: 1.1745345293440013
Energy: 1.182578982201577
Energy: 1.1681237028714508
Energy: 1.1687737922594783
Energy: 1.133487377152798
Energy: 1.4767754181727384
Energy: 1.1958952328087427
Energy: 1.171399190696985
Energy: 1.3861426012866238
Energy: 1.1680574707967033
Energy: 1.138868668073166
Energy: 1.1434586370763216
Energy: 1.136174616820882
Energy: 1.1991448426398863

minimum gb energy = 1.1322308613318925 eV
minimum distance =  2.3228113673937 Angstroms
sigma value = 33


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

Energy: 1.0714563884902788
Energy: 1.3272867810799283
Energy: 1.3273416346805804
Energy: 1.3349095919038605
Energy: 1.328044003373089
Energy: 1.4448620684077063
Energy: 1.0769680925736522
Energy: 1.075768713602619
Energy: 1.3402098921410113
Energy: 1.2577282073105145
Energy: 1.3266416547096067
Energy: 1.0752774395916613
Energy: 1.256507258778755
Energy: 1.0762234838238214
Energy: 1.3203259299958554
Energy: 1.430765539609522
Energy: 1.3221367506558934
Energy: 1.2599096049186704
Energy: 1.256241515989511
Energy: 1.2874416057554772
Energy: 1.3345375639038404
Energy: 1.5128075098764464
Energy: 1.0749317143250476
Energy: 1.2692795878313268
Energy: 1.2552505344718412
Energy: 1.2547485813884887
Energy: 1.0757571640208898
Energy: 1.3355489133122755
Energy: 1.0755305958979686
Energy: 1.2563587596338197
Energy: 1.0765933550679863
Energy: 1.0797055967939617
Energy: 1.2626336166222372
Energy: 1.6253030829498702
Energy: 1.3181684997415486
Energy: 1.0762774321055333
Energy: 1.5779854424215982
Energy: 1.2658716343346332
Energy: 1.2606482335194011
Energy: 1.3286141148344055
Energy: 1.2655035912063026
Energy: 1.4263052634256514
Energy: 1.574378956272567
Energy: 1.1526022296287237
Energy: 1.2608851953287148
Energy: 1.2618959031300157
Energy: 1.272672123068674
Energy: 1.4450811827879928
Energy: 1.3276836532497336
Energy: 1.261955479265695
Energy: 1.2747530112968823
Energy: 1.255411165066461
Energy: 1.2638511729005684
Energy: 1.2649612791320963
Energy: 1.2576143429051871
Energy: 1.3196097153693715
Energy: 1.2569074681036745
Energy: 1.2533755068617132
Energy: 1.0761700697535381
Energy: 1.2548325965007385
Energy: 1.2555477857886426
Energy: 1.3244533404581664
Energy: 1.0755330513854122
Energy: 1.0766083310413308
Energy: 1.3175716678378635
Energy: 1.648391912259501
Energy: 1.5142761397849702
Energy: 1.2561452478541266
Energy: 1.0776980833351892
Energy: 1.2553675010956282
Energy: 1.0781030640721176
Energy: 1.2573356922817185
Energy: 1.5800657620594436
Energy: 1.2581156592666871
Energy: 1.0782276510953925
Energy: 1.2577103118304669
Energy: 1.0760906054659976
Energy: 1.0757737762603228
Energy: 1.072546310115065
Energy: 1.3222352351545832
Energy: 1.0768991522011682
Energy: 1.077537517374897
Energy: 1.0755782778383156
Energy: 1.8513494660364418
Energy: 1.0733801751412944
Energy: 1.080353864235328
Energy: 1.0752409926557591
Energy: 1.0767966810561733
Energy: 1.0787316989153903
Energy: 1.255472229903344
Energy: 1.581502629478569
Energy: 1.080123693078801
Energy: 1.0767153564231713
Energy: 1.0749169068562194
Energy: 1.0781368413107102
Energy: 1.0751968225590551
Energy: 1.2496892842419178
Energy: 1.0760021287464638
Energy: 1.0755424058098328
Energy: 1.0763685942051169
Energy: 1.076873908767898
Energy: 1.4964217270046825
Energy: 1.3265885337258618
Energy: 1.3241771030601208
Energy: 1.075190925322302
Energy: 1.0768805638119514
Energy: 1.0763352300452838
Energy: 1.2562437239480773
Energy: 1.3357762326435658
Energy: 1.333741457753149
Energy: 1.4298116595473107
Energy: 1.4280616798750743
Energy: 1.0743717917781237
Energy: 1.3319674460725877
Energy: 1.5080337992008344
Energy: 1.3263347646946155
Energy: 1.076039846021567
Energy: 1.0764442956441966
Energy: 1.1537273978375688
Energy: 1.2575425978242685
Energy: 1.4318935298478934
Energy: 1.32412710499881
Energy: 1.2556529567814427
Energy: 1.2568680325933541
Energy: 1.1561864185083974
Energy: 1.651439062836378
Energy: 1.5087812139334926
Energy: 1.1512689792982356
Energy: 1.2746019265470383
Energy: 1.2541004026940632
Energy: 1.263189636597739
Energy: 1.256693895319515
Energy: 1.3347452776494468
Energy: 1.152115045876134
Energy: 1.256439857391235
Energy: 1.2574436401962688
Energy: 1.2631327395157055
Energy: 1.2629796776348117
Energy: 1.0745299372969621
Energy: 1.0773983838767307
Energy: 1.0769803126211008
Energy: 1.0766877534117338
Energy: 1.076563609851398
Energy: 1.6478939118360745
Energy: 1.3326507109365657
Energy: 1.2620909728940368
Energy: 1.259820183835402
Energy: 1.5860685815590636
Energy: 1.0799892677605947
Energy: 1.2664545858562735
Energy: 1.263539480870903
Energy: 1.2633097567623086
Energy: 1.25593228446063
Energy: 1.0696940050367196
Energy: 1.2551019514553454
Energy: 1.2727472643899511
Energy: 1.2521270909805295
Energy: 1.2695989834038803
Energy: 1.25787160908016
Energy: 1.3281234345631165
Energy: 1.2622426085642524
Energy: 1.2713674890254225
Energy: 1.2516411297910377
Energy: 1.2598623103807232
Energy: 1.3283092268259278
Energy: 1.2568652420884905
Energy: 1.1509446811813953
Energy: 1.2696118084864285
Energy: 1.0785563013126904
Energy: 1.152532067161341
Energy: 1.6538533203948047
Energy: 1.2575321161765642
Energy: 1.3177248680187026
Energy: 1.259452558970332
Energy: 1.3284442688784364
Energy: 1.075413607658181
Energy: 1.5166687383711321
Energy: 1.5139377030556465
Energy: 1.2557215080111848
Energy: 1.248750346183844
Energy: 1.3284137025601137
Energy: 1.079914170843652
Energy: 1.0748718471187457
Energy: 1.580283571256996
Energy: 1.5227378898097994
Energy: 1.2697684322294684
Energy: 1.0783247885684706
Energy: 1.0764860610373017
Energy: 1.6562519363103725
Energy: 1.0734788442231193
Energy: 1.1539259973883056
Energy: 1.0765487319440799
Energy: 1.0760062657851637
Energy: 1.0768984825089267
Energy: 1.1531713805258597
Energy: 1.0729053321112516
Energy: 1.075338982203289
Energy: 1.076230285324369
Energy: 1.0732343002127254
Energy: 1.0766789556813825
Energy: 1.0759021734119902
Energy: 1.5818626927275443
Energy: 1.076278410179588
Energy: 1.0749226033306827
Energy: 1.0750246612438983
Energy: 1.0757517157741758
Energy: 1.152375733960174
Energy: 1.2568952130699556
Energy: 1.076409531585562
Energy: 1.0834311117894297
Energy: 1.0768414101636052
Energy: 1.0769908940553707
Energy: 1.3233969780537458
Energy: 1.2585670137712126
Energy: 1.1522807007140567
Energy: 1.0763522898222093
Energy: 1.5707399106385425
Energy: 1.0804265032454508
Energy: 1.3330520858588382
Energy: 1.3336599210099773
Energy: 1.0765816793183673
Energy: 1.4393961012812426

minimum gb energy = 1.0696940050367196 eV
minimum distance =  2.29148524776925 Angstroms
sigma value = 41


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

Energy: 1.9119402447954077
Energy: 1.198283530273613
Energy: 1.1992194671860719
Energy: 1.2080276936094183
Energy: 1.1998307134349453
Energy: 1.9021061404267614
Energy: 1.2027086430615186
Energy: 0.9428630435820669
Energy: 0.9409020253139321
Energy: 1.2057620402683293
Energy: 0.9428433270218678
Energy: 1.1986841309949092
Energy: 1.203055140849194
Energy: 0.9438442556565156
Energy: 0.9432508255167561
Energy: 0.8678168580028868
Energy: 0.9434046704777234
Energy: 1.1987826400583455
Energy: 1.1979670039539974
Energy: 0.9449410213628384
Energy: 0.9406667881675687
Energy: 1.2017961003642363
Energy: 0.9424314478974025
Energy: 1.1973784593177288
Energy: 1.2016729347618664
Energy: 1.199991289309668
Energy: 0.9452373670051705
Energy: 1.201669693238014
Energy: 0.9419033297843666
Energy: 1.1992707097694202
Energy: 1.1984582885062456
Energy: 1.1980936331740817
Energy: 1.1993996249167491
Energy: 1.1980218827443916
Energy: 1.1986896981946094
Energy: 1.197853326071348
Energy: 1.5109946270141745
Energy: 0.9452100512140597
Energy: 1.1967988538169803
Energy: 1.200595334308579
Energy: 0.9426724520424885
Energy: 1.5103843665344614
Energy: 1.5130775969147803
Energy: 0.9438534391765305
Energy: 1.1975489958528582
Energy: 1.1981107890170841
Energy: 1.1985033151972393
Energy: 1.509438274550274
Energy: 1.1995932052418135
Energy: 0.9436203384225517
Energy: 0.9410662854680693
Energy: 0.8679515047092484
Energy: 0.9429320069801175
Energy: 1.1986221194987012
Energy: 1.2082684161655803
Energy: 0.9443686917059387
Energy: 0.9406271920244372
Energy: 1.2109833755757844
Energy: 0.9441968736138991
Energy: 1.2015159158183562
Energy: 1.2071122435153498
Energy: 0.944739080164322
Energy: 1.1977768273440972
Energy: 1.2007185215219163
Energy: 0.9436602409998587
Energy: 1.2020168965112847
Energy: 1.1971607536215045
Energy: 1.1979127296916476
Energy: 0.946677717199202
Energy: 1.1961774360557573
Energy: 0.9411106886109669
Energy: 1.197743058858798
Energy: 1.1994742103972313
Energy: 1.1983050737926253
Energy: 0.9433766459293496
Energy: 1.200481185684409
Energy: 0.9418497795671492
Energy: 1.1973655647337722
Energy: 1.511044488137982
Energy: 0.9444130719345895
Energy: 1.197343711993203
Energy: 1.1986881008021515
Energy: 1.197047921896245
Energy: 1.5093944730202447

minimum gb energy = 0.8678168580028868 eV
minimum distance =  2.36509931963162 Angstroms
sigma value = 11


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

Energy: 2.1730504815127283
Energy: 1.1708455270531202
Energy: 1.3471479352372302
Energy: 1.3411161840953278
Energy: 1.1715999685949758
Energy: 1.1705373198878297
Energy: 1.1746483878273044
Energy: 1.175615397712267
Energy: 1.162214871263302
Energy: 1.1642085008976037
Energy: 1.2490000824777865
Energy: 1.1693699614779411
Energy: 1.1795450623690191
Energy: 1.1694767724984174
Energy: 1.2455770290853072
Energy: 1.1558824864698716
Energy: 1.1734193527832235
Energy: 1.1700413918106052
Energy: 1.1760404176732515
Energy: 1.1718728580296567
Energy: 1.2466581301077353
Energy: 1.1628333774369655
Energy: 1.1700533239327489
Energy: 1.1759257327889039
Energy: 1.1692378928907545
Energy: 1.1705638366782123
Energy: 1.2463809883406083
Energy: 1.163937790333628
Energy: 1.1708038349609742
Energy: 1.183193764718627
Energy: 1.1709465192658528
Energy: 1.1699243776017907
Energy: 1.2447969433168067
Energy: 1.1650118750413567
Energy: 1.2448710891473076
Energy: 1.1695757228660089
Energy: 1.1735222524823257
Energy: 1.1704604368478417
Energy: 1.160738117636468
Energy: 1.1613682432774726
Energy: 1.1641152063679248
Energy: 1.2414002698874838
Energy: 1.172827886080237
Energy: 1.2467109182839957
Energy: 1.1688778348673383
Energy: 1.1697074190067744
Energy: 1.1605819572761977
Energy: 1.2425089657616017
Energy: 1.1699135028373007
Energy: 1.1705997063868505
Energy: 1.2461238657432958
Energy: 1.158777638915131
Energy: 1.1707378654423108
Energy: 1.172352304202959
Energy: 1.1694527851289491
Energy: 1.1706007862317636
Energy: 1.2448273552218756
Energy: 1.1570102547515797
Energy: 1.1691436196143115
Energy: 1.1693617673557948
Energy: 1.1708683037147558
Energy: 1.1698742255973897
Energy: 1.1724090623001315
Energy: 1.1708470599669134
Energy: 1.2595657487186587
Energy: 1.1731123324088695
Energy: 1.169889278401519
Energy: 1.2453031424681036
Energy: 1.1717620227871934
Energy: 1.170552856842615
Energy: 1.2483726552300556
Energy: 1.1694445190461276
Energy: 1.1718305944130913
Energy: 1.2460633462521369
Energy: 1.1716019977168246
Energy: 1.1741610023920344
Energy: 1.1690397589042814
Energy: 1.1708356870092904
Energy: 1.1553973070003378
Energy: 1.170593316738603
Energy: 1.178195055053817
Energy: 1.1701615079305712
Energy: 1.1772881527323988
Energy: 1.2461440556106096
Energy: 1.177205533099329
Energy: 1.2456111411427189
Energy: 1.18179748706473
Energy: 1.1704217424613417
Energy: 1.1708919157377726
Energy: 1.1615764747812438
Energy: 1.1695416868408492
Energy: 1.173479137314446
Energy: 1.1593419427409584
Energy: 1.1565754879743204
Energy: 1.1743774924755586
Energy: 1.1706629253286822
Energy: 1.1610173789510883
Energy: 1.2456552704839412
Energy: 1.1701422884933814
Energy: 1.1562108369790225
Energy: 1.1711819101216774
Energy: 1.1613294317293306
Energy: 1.62301989332138
Energy: 1.2473791782028365
Energy: 1.1697619478722798
Energy: 1.1822720205305963
Energy: 1.1706218014426995
Energy: 1.157492211325344
Energy: 1.1615438641525515
Energy: 1.1714897267898572
Energy: 1.170116668851437
Energy: 1.1807899578948573
Energy: 1.1898850864298938
Energy: 1.1665970092758888
Energy: 1.1623920090060378
Energy: 1.1702945726474703
Energy: 1.1695547801581498
Energy: 1.1708648477646844
Energy: 1.1719970538697284
Energy: 1.1614202053330585
Energy: 1.1628609817038031
Energy: 1.2463567703240246
Energy: 1.170618406589998
Energy: 1.169063950078983
Energy: 1.1701104244056668
Energy: 1.2465877488798962
Energy: 1.1606759113152036
Energy: 1.1609717925977532
Energy: 1.1712331148889572
Energy: 1.1695662794701622
Energy: 1.1707574801245457
Energy: 1.1678628861178497
Energy: 1.16915482517168
Energy: 1.1714199714358877
Energy: 1.164115758353054
Energy: 1.1576797596019757
Energy: 1.165095825086932
Energy: 1.1696648909852871
Energy: 1.1573434522413084
Energy: 1.170554484580567
Energy: 1.1727969133182279
Energy: 1.1711211501555727
Energy: 1.169718698091732
Energy: 1.241943618732981
Energy: 1.1568759608216619
Energy: 1.1707607858618794
Energy: 1.1712515471780844
Energy: 1.1721560133516322
Energy: 1.171134283789584
Energy: 1.1566101038291208
Energy: 1.1706865375525906
Energy: 1.2620279563416674
Energy: 1.1714859901960364
Energy: 1.1715018959088872
Energy: 1.1730515220315592
Energy: 1.1756600734809735
Energy: 1.1733150976490705
Energy: 1.170168648485381
Energy: 1.1707133170912276
Energy: 1.1711470534527044
Energy: 1.2469403228751839
Energy: 1.171626031007716
Energy: 1.169793322764676
Energy: 1.170609518594411
Energy: 1.1712896501625822
Energy: 1.173088640577858
Energy: 1.244537604769965
Energy: 1.1689990213504453
Energy: 1.1719824542650301
Energy: 1.1750346047823226
Energy: 1.1716469185936194
Energy: 1.1576550542199564
Energy: 1.1709975654763702
Energy: 1.1713385214059464
Energy: 1.1706210499343976
Energy: 1.1709752495382442
Energy: 1.2581254247520637
Energy: 1.1632556168454071
Energy: 1.1719998761424386
Energy: 1.1690627580826671
Energy: 1.1560547794093412
Energy: 1.1650096977786535
Energy: 1.1721743142427459
Energy: 1.16936410654648
Energy: 1.169648902432014
Energy: 1.1564059840939422

minimum gb energy = 1.1553973070003378 eV
minimum distance =  2.31335988191871 Angstroms
sigma value = 57


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

Energy: 2.2847027510001867
Energy: 1.2730895254286552
Energy: 1.2750873662746816
Energy: 1.2764180643184353
Energy: 1.2736137225581785
Energy: 1.3112171291045065
Energy: 1.27564164737064
Energy: 1.3302298317469348
Energy: 1.278709099642423
Energy: 1.2822312515156842
Energy: 1.3303290336490003
Energy: 1.2760846915805983
Energy: 1.2764613596025622
Energy: 1.275738156031574
Energy: 1.3296085678722138
Energy: 1.2554799783164674
Energy: 1.3283387243020084
Energy: 1.2766630204127445
Energy: 1.2747380448701495
Energy: 1.277209685952076
Energy: 1.3305166780239217
Energy: 1.2767363584802947
Energy: 1.2752066140209335
Energy: 1.2767126154986699
Energy: 1.2748072977860272
Energy: 1.276572218792397
Energy: 1.3315862990187424
Energy: 1.2738173301458786
Energy: 1.3288346768091979
Energy: 1.2784482773011625
Energy: 1.2966014147731446
Energy: 1.2763121450725763
Energy: 1.3291624654299907
Energy: 1.273657534940183
Energy: 1.3281489567294618
Energy: 1.2765177969739558
Energy: 1.2677860105429604
Energy: 1.3300927085897971
Energy: 1.2750350879049526
Energy: 1.2750812872786583
Energy: 1.274622558041758
Energy: 1.3299943357287003
Energy: 1.2667048923241926
Energy: 1.3289489658292832
Energy: 1.2751010469100665
Energy: 1.293729380048031
Energy: 1.2753671738419892
Energy: 1.3303256921287054
Energy: 1.2753073540207744
Energy: 1.2771577827778662
Energy: 1.2574154650151357
Energy: 1.2565516110701178
Energy: 1.3279343440978575
Energy: 1.2752737046669302
Energy: 1.2729345708336883
Energy: 1.2759091116019534
Energy: 1.2559810956666084
Energy: 1.2563178983012724
Energy: 1.3308825908122155
Energy: 1.2744561651172805
Energy: 1.2546624071723032
Energy: 1.3293399824953158
Energy: 1.2775950559831208
Energy: 1.296747160961168
Energy: 1.3288321554887899
Energy: 1.3329241599517303
Energy: 1.2569920090390894
Energy: 1.3298993426217032
Energy: 1.2758427869183646
Energy: 1.2761048979257874
Energy: 1.2777609868304156
Energy: 1.329900682205644
Energy: 1.2746424435150283
Energy: 1.3306830727293026
Energy: 1.2757264336812115
Energy: 1.275485640436373
Energy: 1.2752717266100835
Energy: 1.275821350260377
Energy: 1.272869490820484
Energy: 1.3279165803874187
Energy: 1.276797688616775
Energy: 1.277054804956867
Energy: 1.2753522378573743
Energy: 1.3302383002581382
Energy: 1.2739792303113326
Energy: 1.3323579510435277
Energy: 1.3325360667684425
Energy: 1.2754055789446568
Energy: 1.3307531508659791
Energy: 1.2772892064875776
Energy: 1.2741981487704463
Energy: 1.2754374325974909
Energy: 1.2903777956593507
Energy: 1.2865445664803885
Energy: 1.2824708792275703
Energy: 1.2772169879992537
Energy: 1.2559959579945688
Energy: 1.2762926754091288
Energy: 1.2760582171321275
Energy: 1.275756852488851
Energy: 1.3299120861003122
Energy: 1.2797023545929862

minimum gb energy = 1.2546624071723032 eV
minimum distance =  2.32247226149799 Angstroms
sigma value = 9


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

Energy: 2.4364211837256646
Energy: 1.3462966288501377
Energy: 1.3492126934412498
Energy: 1.4361445645426507
Energy: 1.3477325654227685
Energy: 1.3697661099379155
Energy: 1.3724836203819153
Energy: 1.3461123782416093
Energy: 1.3444185800948945
Energy: 1.3420529540059845
Energy: 1.347959483844948
Energy: 1.3499906300643267
Energy: 1.350658176822678
Energy: 1.3467303885393909
Energy: 1.565353152677542
Energy: 1.3339569050013527
Energy: 1.3466534180040322
Energy: 1.356083080023935
Energy: 1.3471370033040102
Energy: 1.359228928584225
Energy: 1.3444739199253997
Energy: 1.342685781520279
Energy: 1.3982326170553143
Energy: 1.3441279441172906
Energy: 1.361507138322368
Energy: 1.4035458496244624
Energy: 1.34506528926519
Energy: 1.351412367944405
Energy: 1.3988906200152442
Energy: 1.4701812391665676
Energy: 1.3440040079791167
Energy: 1.4046186839194446
Energy: 1.3427979050773862
Energy: 1.3549354145848105
Energy: 1.4007618409455367
Energy: 1.3477901108692694
Energy: 1.341663776757322
Energy: 1.353253965863412
Energy: 1.3686894692626421
Energy: 1.343495326976273
Energy: 1.3479698941890592
Energy: 1.4013077905957427
Energy: 1.3423645488315614
Energy: 1.3550998997839019
Energy: 1.354689038375324
Energy: 1.3662013117826743
Energy: 1.3609473418267575
Energy: 1.3986473958601096
Energy: 1.3463230944590252
Energy: 1.3695849101768982
Energy: 1.3990843587356467
Energy: 1.3369940634812447
Energy: 1.3490057981831214
Energy: 1.3583363509867488
Energy: 1.3616220466820341
Energy: 1.3487881567525934
Energy: 1.3981757756533981
Energy: 1.3374136558562915
Energy: 1.3496465908139295
Energy: 1.3584536972147248
Energy: 1.3433385494074392
Energy: 1.3494794344846412
Energy: 1.3516566691100609
Energy: 1.3585190452195604
Energy: 1.3508673673435303
Energy: 1.3335791137005704
Energy: 1.3437957793718236
Energy: 1.3483051393965348
Energy: 1.3445912771917037
Energy: 1.3459448583395686
Energy: 1.3665324715218832
Energy: 1.3457611018404523
Energy: 1.359760653008739
Energy: 1.3525207049297703
Energy: 1.3483399358558859
Energy: 1.3317125019534648
Energy: 1.3439077852959564
Energy: 1.3703585273427557
Energy: 1.3430012971888943
Energy: 1.3545543183287256
Energy: 1.3462810978548871
Energy: 1.333583412758073
Energy: 1.3453975151901987
Energy: 1.3548239797433306
Energy: 1.3634921304985634
Energy: 1.4735252954342053
Energy: 1.34336164872495
Energy: 1.342825452613615
Energy: 1.4017895671213991
Energy: 1.466948732153111
Energy: 1.3455586830450286
Energy: 1.4030649188586817
Energy: 1.470947678987408
Energy: 1.4732763331653382
Energy: 1.4792752345624798
Energy: 1.3446267757758925
Energy: 1.3421365379478496
Energy: 1.400975080192336
Energy: 1.3670094946946187
Energy: 1.3433475993458623
Energy: 1.345669895998579
Energy: 1.3533690887317795
Energy: 1.3475381858443707
Energy: 1.348932850369896
Energy: 1.36414021739725
Energy: 1.3562119451467611
Energy: 1.345494400280041
Energy: 1.3513359593070846
Energy: 1.3443886970709935
Energy: 1.3452826036185257
Energy: 1.370462663758428
Energy: 1.352957462237417
Energy: 1.3449956033537545
Energy: 1.3479445684362843
Energy: 1.3517270249838782
Energy: 1.3761473507137538
Energy: 1.3971711571126237
Energy: 1.3372501528746683
Energy: 1.366480976239855
Energy: 1.3585804765844152
Energy: 1.3438395888167183
Energy: 1.3610270556926862
Energy: 1.353103909349798
Energy: 1.3734771342920675
Energy: 1.353205263950633
Energy: 1.3497093045542075

minimum gb energy = 1.3317125019534648 eV
minimum distance =  2.32034065660533 Angstroms
sigma value = 27


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

Energy: 1.7840058396191545
Energy: 1.4170628970051036
Energy: 1.4168143112234584
Energy: 1.4284988506257192
Energy: 1.4175945769031695
Energy: 1.3521899047199482
Energy: 1.3424614781340922
Energy: 1.3536280999929724
Energy: 1.3725245423924997
Energy: 1.3700667916431375
Energy: 1.3541502071265201
Energy: 1.371825506685506
Energy: 1.3529467847886978
Energy: 1.3433428195163404
Energy: 1.341107502843255
Energy: 1.3414726060952518
Energy: 1.3438372674701633
Energy: 1.344124822159652
Energy: 1.35301133745854
Energy: 1.3594913705475675
Energy: 1.3444984432371434
Energy: 1.3699808951274821
Energy: 1.4045280469980286
Energy: 1.3534510078892326
Energy: 1.3426734835799847
Energy: 1.4153765023963978
Energy: 1.4095837573822625
Energy: 1.35877861704361
Energy: 1.4184218214236484
Energy: 1.4156470787606115
Energy: 1.356683123020919
Energy: 1.4043364043529114
Energy: 1.3554723647485039
Energy: 1.3581461844451466
Energy: 1.4142880262740805
Energy: 1.3491729878648817
Energy: 1.3542418343268814
Energy: 1.4156217780494762
Energy: 1.4074257037759015
Energy: 1.3574041417002614
Energy: 1.4040810305643816
Energy: 1.4096961367739154
Energy: 1.353352850070513
Energy: 1.4206663523780387
Energy: 1.356175255973176
Energy: 1.3555964343124112
Energy: 1.4238127453878315
Energy: 1.358858785961127
Energy: 1.3535230413019708
Energy: 1.3543150294076989
Energy: 1.3528995497973875
Energy: 1.4346082486252492
Energy: 1.3522568620128224
Energy: 1.352001569715988
Energy: 1.3448194873226198
Energy: 1.3571650631667576
Energy: 1.3521514604200728
Energy: 1.354830908788329
Energy: 1.3546252832669972
Energy: 1.370543568849912
Energy: 1.349937826776351
Energy: 1.375196081289796
Energy: 1.4286753041721523
Energy: 1.428766048251734
Energy: 1.3721302577626657
Energy: 1.347265845788035
Energy: 1.3542015325907633
Energy: 1.3554575716700807
Energy: 1.3722016935311334
Energy: 1.4158129887669346
Energy: 1.3708742948915547
Energy: 1.3532651708369234
Energy: 1.4150274679439878
Energy: 1.3450383810883535
Energy: 1.36191509895694
Energy: 1.336092536601465
Energy: 1.3686503558189893
Energy: 1.4215541494929198
Energy: 1.427860602605464
Energy: 1.3712655514215089
Energy: 1.4375271271080943
Energy: 1.4140782780200778
Energy: 1.3542311989605602
Energy: 1.3724614799208037
Energy: 1.3380915047649857
Energy: 1.3570304277922836
Energy: 1.3465815164379078
Energy: 1.3422480310370846
Energy: 1.355680092685221
Energy: 1.3437248459344073
Energy: 1.3607802490313687
Energy: 1.434686414552674
Energy: 1.3525897005583003
Energy: 1.3540767247004453
Energy: 1.3527634881922026
Energy: 1.3528760657589494
Energy: 1.355517756559276
Energy: 1.4165026550087128
Energy: 1.4146240315567924
Energy: 1.3400148473747124
Energy: 1.4260516464560948
Energy: 1.3622617859403936
Energy: 1.3552226419054005
Energy: 1.4074971514053989
Energy: 1.4085232938939785
Energy: 1.3539057066282496
Energy: 1.416488893356372
Energy: 1.405283283923573
Energy: 1.3551397330485055
Energy: 1.4074156614440747
Energy: 1.3448297755576655
Energy: 1.3542896656058827
Energy: 1.4154191511253083
Energy: 1.4079474209740632
Energy: 1.3558273069074578
Energy: 1.4151995658470276
Energy: 1.4378036670204914
Energy: 1.3434615245350754
Energy: 1.4147565099636403
Energy: 1.3559717251798102
Energy: 1.3700874177414293
Energy: 1.404055733279811
Energy: 1.3517406097781628
Energy: 1.3517297862995408
Energy: 1.3537590712455247
Energy: 1.3531907184057737
Energy: 1.3370719106810085
Energy: 1.3559505854552831
Energy: 1.343532656838664
Energy: 1.3431270797757129
Energy: 1.3439126160428139
Energy: 1.3543980852569768
Energy: 1.427992214802954
Energy: 1.3734323671831041
Energy: 1.3541328073848005
Energy: 1.4224405913257094
Energy: 1.354157601874157
Energy: 1.375540416832504
Energy: 1.4158969903233105
Energy: 1.4219782059841823
Energy: 1.3481857461212314
Energy: 1.3385307287758608
Energy: 1.3554799154765809
Energy: 1.4210395340160573
Energy: 1.4157020611466833
Energy: 1.3526011295911569
Energy: 1.3716622400506024
Energy: 1.4171185078385202
Energy: 1.371210945466132
Energy: 1.3405934497071275

minimum gb energy = 1.336092536601465 eV
minimum distance =  2.32142484981654 Angstroms
sigma value = 19


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

Energy: 1.8994977141261677
Energy: 1.373040274705936
Energy: 1.3746166510472253
Energy: 1.3737441946546218
Energy: 1.3754562720121501
Energy: 1.3157363200238998
Energy: 1.3203341078185278
Energy: 1.3196388555354854
Energy: 1.324045512744271
Energy: 1.4007131809229885
Energy: 1.3243982680963517
Energy: 1.323275945661365
Energy: 1.3188312730547163
Energy: 1.3203754178345521
Energy: 1.3170846326917658
Energy: 1.315652493595466
Energy: 1.3206090074729413
Energy: 1.319839414388799
Energy: 1.3375733467985125
Energy: 1.3233062211706847
Energy: 1.3241557204721668
Energy: 1.3225232982207817
Energy: 1.3627447631087677
Energy: 1.3384757778002276
Energy: 1.3148046532300068
Energy: 1.363714059956817
Energy: 1.3581246417007125
Energy: 1.3241501361865586
Energy: 1.3619964913602545
Energy: 1.3636592852565894
Energy: 1.3228097663038991
Energy: 1.3237787695516068
Energy: 1.3235502100771863
Energy: 1.3241640956939247
Energy: 1.36325001536171
Energy: 1.3231764255321536
Energy: 1.3228255364368708
Energy: 1.4125135529463064
Energy: 1.4213432848774203
Energy: 1.3963366823245555
Energy: 1.4149249167748934
Energy: 1.3979377654265845
Energy: 1.3240875836119044
Energy: 1.4143988988225396
Energy: 1.3247826299632888
Energy: 1.3248704593821097
Energy: 1.4113770470900675
Energy: 1.3245395339708614
Energy: 1.3314516942476013
Energy: 1.3645678662891136
Energy: 1.3607580241808568
Energy: 1.3200636495732037
Energy: 1.3617114524483576
Energy: 1.3757388965750603
Energy: 1.3226118209362372
Energy: 1.3202312940249334
Energy: 1.3609538539123112
Energy: 1.3204983126899468
Energy: 1.3622395386255481
Energy: 1.324898635529785
Energy: 1.3125765496739452
Energy: 1.3195813794550222
Energy: 1.3204078693172772
Energy: 1.3234698578140598
Energy: 1.3199765150940204
Energy: 1.3192530124918918
Energy: 1.3225138414848812
Energy: 1.3232039287440063
Energy: 1.3232386148798663
Energy: 1.3195611729645556
Energy: 1.322583949704563
Energy: 1.3245750971333279
Energy: 1.3732340797085496
Energy: 1.3752544612691275
Energy: 1.3128913490714598
Energy: 1.3203449432478733
Energy: 1.3256913982647107
Energy: 1.3737623290599033
Energy: 1.373360133736159
Energy: 1.3238442538002955
Energy: 1.319725290404759
Energy: 1.3826674438487077
Energy: 1.3205899986291207
Energy: 1.3734079422287686
Energy: 1.3084134976209791
Energy: 1.3239555372213783
Energy: 1.3740697114323355
Energy: 1.373237631088955
Energy: 1.3206746165932932
Energy: 1.3122039987011642
Energy: 1.3735158423400233
Energy: 1.4360386992245069
Energy: 1.3227311219520206
Energy: 1.3728827924596028
Energy: 1.323500980462303
Energy: 1.3165273683190255
Energy: 1.319008090588763
Energy: 1.3191025983711535
Energy: 1.3153736643285494
Energy: 1.3142799235440004
Energy: 1.319476100950996
Energy: 1.3202366870422915
Energy: 1.3239731681068305
Energy: 1.323680670716509
Energy: 1.397607196806395
Energy: 1.3109296116454585
Energy: 1.3235887112848859
Energy: 1.3240626895330356
Energy: 1.3146713857632253
Energy: 1.3623831035148526
Energy: 1.3243661626122714
Energy: 1.3233724564245986
Energy: 1.3621364366432602
Energy: 1.367139437092799
Energy: 1.3331767146115951
Energy: 1.3625759206146049
Energy: 1.3650387747626667
Energy: 1.3235106941332533
Energy: 1.362000208929559
Energy: 1.3258969572166979
Energy: 1.3234314004228573
Energy: 1.4117142372378688
Energy: 1.416766262905514
Energy: 1.397989960595799
Energy: 1.4136841651273393
Energy: 1.32371308185024
Energy: 1.3246981326127125
Energy: 1.414763864379182
Energy: 1.3955588224197937
Energy: 1.3254374792382753
Energy: 1.4112036691546597
Energy: 1.4314414330388503
Energy: 1.3227352062823636
Energy: 1.364671457291914
Energy: 1.362138177250342
Energy: 1.3186178659298167
Energy: 1.3617703315675274
Energy: 1.3625938348080302
Energy: 1.3227337287228158
Energy: 1.3623779025930518
Energy: 1.3626340439192295
Energy: 1.319892567708333
Energy: 1.3619074067483572
Energy: 1.323942911392537
Energy: 1.4009198251172459
Energy: 1.3229550757321011
Energy: 1.3235982358277152
Energy: 1.324277105072202
Energy: 1.3237857184653
Energy: 1.3238490452576022
Energy: 1.3129125388350555
Energy: 1.3192760019670595
Energy: 1.3188968631772973
Energy: 1.3196034315393228
Energy: 1.3195951125627403
Energy: 1.3196456672144867
Energy: 1.3732965010789504
Energy: 1.3235901362134692
Energy: 1.4186084523513645
Energy: 1.3158471655951143
Energy: 1.3199539837042915
Energy: 1.373160280080106
Energy: 1.373553537734464
Energy: 1.3741958391351516
Energy: 1.3163846970660968
Energy: 1.316015180486756
Energy: 1.3244626257787737
Energy: 1.3739943290712877
Energy: 1.3108467142639921
Energy: 1.319032463108639
Energy: 1.323338453196472
Energy: 1.3753417932719336
Energy: 1.323783823870165
Energy: 1.400176197340704

minimum gb energy = 1.3084134976209791 eV
minimum distance =  2.31252126750675 Angstroms
sigma value = 101


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

Energy: 1.9851073112657815
Energy: 1.3414776825945474
Energy: 1.3393090077369598
Energy: 1.3388972948720548
Energy: 1.3402588242814941
Energy: 1.2914431434224793
Energy: 1.2754464053051546
Energy: 1.2751848027596613
Energy: 1.2737478003261313
Energy: 1.2771140603171984
Energy: 1.2800749424593378
Energy: 1.2797186335241588
Energy: 1.2749981959748213
Energy: 1.2765445596834153
Energy: 1.270754729370061
Energy: 1.270141419128318
Energy: 1.2756627340605995
Energy: 1.2768872183115416
Energy: 1.2773806179058202
Energy: 1.2787180417368464
Energy: 1.2787196243444272
Energy: 1.2744317506308815
Energy: 1.314092255002308
Energy: 1.277137710285243
Energy: 1.2680102832136075
Energy: 1.3174310859066205
Energy: 1.2740521635555782
Energy: 1.273778659840946
Energy: 1.3130814156384703
Energy: 1.2678283801230068
Energy: 1.2783836438902292
Energy: 1.2785884295210581
Energy: 1.274016559165198
Energy: 1.2728601727310336
Energy: 1.2734904674123846
Energy: 1.2825627859563613
Energy: 1.2775629526421008
Energy: 1.3659339917861053
Energy: 1.3654581440695848
Energy: 1.3673917741138801
Energy: 1.3705119404282389
Energy: 1.3378685671092314
Energy: 1.2785589306494123
Energy: 1.3405267480960343
Energy: 1.2745322125112428
Energy: 1.274995938257625
Energy: 1.3697719316052543
Energy: 1.2795767949091088
Energy: 1.2773093012736556
Energy: 1.3671279841938364
Energy: 1.3699310106785032
Energy: 1.2744514556363378
Energy: 1.3679817673566737
Energy: 1.366085423277998
Energy: 1.277860439880306
Energy: 1.2818318153083608
Energy: 1.3673319226629763
Energy: 1.273887552149962
Energy: 1.369550546561476
Energy: 1.279646456690243
Energy: 1.2755234304144052
Energy: 1.3103039227013178
Energy: 1.3149216959284609
Energy: 1.276201745620068
Energy: 1.3134256734417133
Energy: 1.3214477360666754
Energy: 1.2758648072455778
Energy: 1.3133770334641743
Energy: 1.280031494968171
Energy: 1.273526600375299
Energy: 1.27725337153269
Energy: 1.2775331957415845
Energy: 1.2786852994173465
Energy: 1.2776033630029777
Energy: 1.2754418672621972
Energy: 1.2720977516436478
Energy: 1.2758479535391862
Energy: 1.279659327227796
Energy: 1.2756911664299473
Energy: 1.280418146487198
Energy: 1.2775743892314968
Energy: 1.272814046646646
Energy: 1.277983782863387
Energy: 1.2786549517208374
Energy: 1.273743904605942
Energy: 1.2730112139605472
Energy: 1.3404678409882054
Energy: 1.340271458945632
Energy: 1.3401036163091258
Energy: 1.2733236180380942
Energy: 1.2729053156414987
Energy: 1.3948031102450205
Energy: 1.2737501479948425
Energy: 1.2727064094829217
Energy: 1.2773255284954876
Energy: 1.2760271267483085
Energy: 1.3381334190468275
Energy: 1.3389249790278854
Energy: 1.2687104167975694
Energy: 1.268234939891924
Energy: 1.2733770072643453
Energy: 1.3391189362263474
Energy: 1.2741618949571842
Energy: 1.2762960581349665
Energy: 1.276331674991787
Energy: 1.283145952551029
Energy: 1.2797363376804634
Energy: 1.27423143168714
Energy: 1.268079134839425
Energy: 1.2786881135148958
Energy: 1.275925617663918
Energy: 1.2762132394373786
Energy: 1.2769588915685113
Energy: 1.267603489692267
Energy: 1.2933693788767222
Energy: 1.3561225560963035
Energy: 1.2797332697239427
Energy: 1.2771600681258186
Energy: 1.2796625577476113
Energy: 1.2806940611335809
Energy: 1.274020780320378
Energy: 1.2756904622303247
Energy: 1.3132341464121846
Energy: 1.350356214735532
Energy: 1.2782633213654808
Energy: 1.2768327925542131
Energy: 1.2733705182557484
Energy: 1.317607144978029
Energy: 1.2787593072063006
Energy: 1.2771909274412065
Energy: 1.3130733411600497
Energy: 1.2753375369853317
Energy: 1.2732969219240404
Energy: 1.3763002622055274
Energy: 1.3399503964819168
Energy: 1.2791430291502734
Energy: 1.368065117545918
Energy: 1.3666548357787218
Energy: 1.2733572588720619
Energy: 1.368454150532455
Energy: 1.337665605641436
Energy: 1.2782224556081332
Energy: 1.3670704274266385
Energy: 1.2779516627032657
Energy: 1.2734672687948203
Energy: 1.3673990264339169
Energy: 1.36576864932179
Energy: 1.33864935291242
Energy: 1.3694323515637667
Energy: 1.3675670448350035
Energy: 1.2743156494098415
Energy: 1.3684098475864923
Energy: 1.3367773188254444
Energy: 1.2790458730820744
Energy: 1.368926919726857
Energy: 1.367897782194582
Energy: 1.274612621018794
Energy: 1.317314379371268
Energy: 1.3204091685840493
Energy: 1.2770083156051517
Energy: 1.3127158683587399
Energy: 1.3150280272394346
Energy: 1.2736734505239615
Energy: 1.3165462515510467
Energy: 1.3121172198919708
Energy: 1.275526283885823
Energy: 1.3153705090923025
Energy: 1.275303096934605
Energy: 1.270579564194163
Energy: 1.2788166636443667
Energy: 1.2801574598846615
Energy: 1.278310393702623
Energy: 1.278736163950615
Energy: 1.3128503821641844
Energy: 1.2711556017021342
Energy: 1.2755051331106646
Energy: 1.2764436925599079
Energy: 1.275819240837022
Energy: 1.278814638733012
Energy: 1.275471472557927
Energy: 1.2750843161169816
Energy: 1.2740917625366401
Energy: 1.2750029086265877
Energy: 1.274487290557946
Energy: 1.2764121724512503
Energy: 1.274621017686892
Energy: 1.3387505976893197
Energy: 1.3425406629501635
Energy: 1.277744523711462
Energy: 1.2749248935510242
Energy: 1.2731639085959434
Energy: 1.338969810757655
Energy: 1.2698542212152966
Energy: 1.276330962677222
Energy: 1.2783236733689385
Energy: 1.3413944630697934
Energy: 1.276472137338855
Energy: 1.268887038161358

minimum gb energy = 1.267603489692267 eV
minimum distance =  2.32028441126999 Angstroms
sigma value = 33


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

Energy: 0.014851375636382601
Energy: 0.6119733055337572
Energy: 0.09441668292554281
Energy: 0.0883513165995108
Energy: 0.08926937492393935
Energy: 0.015328887145174039
Energy: 0.10284941261992882
Energy: 0.1032560820483114
Energy: 0.1033044407761497
Energy: 0.10394508228623343
Energy: 1.6938975460008368
Energy: 0.1033159087026847
Energy: 0.7119373844716375
Energy: 0.09128323905253123
Energy: 0.01567453160031289
Energy: 0.01649871760054669
Energy: 0.09111344279072149
Energy: 0.08850081525305928
Energy: 0.01497885049650623
Energy: 0.10325608234679919
Energy: 0.10330444077685506
Energy: 0.10394508227796496
Energy: 1.5885766551590654
Energy: 0.10331590901151787

minimum gb energy = 0.014851375636382601 eV
minimum distance =  2.45751341038706 Angstroms
sigma value = 1